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1

Williamson, Mark S., Sebastian Bathiany, and Timothy M. Lenton. "Early warning signals of tipping points in periodically forced systems." Earth System Dynamics 7, no. 2 (April 13, 2016): 313–26. http://dx.doi.org/10.5194/esd-7-313-2016.

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Abstract. The prospect of finding generic early warning signals of an approaching tipping point in a complex system has generated much interest recently. Existing methods are predicated on a separation of timescales between the system studied and its forcing. However, many systems, including several candidate tipping elements in the climate system, are forced periodically at a timescale comparable to their internal dynamics. Here we use alternative early warning signals of tipping points due to local bifurcations in systems subjected to periodic forcing whose timescale is similar to the period of the forcing. These systems are not in, or close to, a fixed point. Instead their steady state is described by a periodic attractor. For these systems, phase lag and amplification of the system response can provide early warning signals, based on a linear dynamics approximation. Furthermore, the Fourier spectrum of the system's time series reveals harmonics of the forcing period in the system response whose amplitude is related to how nonlinear the system's response is becoming with nonlinear effects becoming more prominent closer to a bifurcation. We apply these indicators as well as a return map analysis to a simple conceptual system and satellite observations of Arctic sea ice area, the latter conjectured to have a bifurcation type tipping point. We find no detectable signal of the Arctic sea ice approaching a local bifurcation.
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2

Wu, Weijun, Andrew E. Sifain, Courtney A. Delpo, and Gregory D. Scholes. "Polariton enhanced free charge carrier generation in donor–acceptor cavity systems by a second-hybridization mechanism." Journal of Chemical Physics 157, no. 16 (October 28, 2022): 161102. http://dx.doi.org/10.1063/5.0122497.

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Cavity quantum electrodynamics has been studied as a potential approach to modify free charge carrier generation in donor–acceptor heterojunctions because of the delocalization and controllable energy level properties of hybridized light–matter states known as polaritons. However, in many experimental systems, cavity coupling decreases charge separation. Here, we theoretically study the quantum dynamics of a coherent and dissipative donor–acceptor cavity system, to investigate the dynamical mechanism and further discover the conditions under which polaritons may enhance free charge carrier generation. We use open quantum system methods based on single-pulse pumping to find that polaritons have the potential to connect excitonic states and charge separated states, further enhancing free charge generation on an ultrafast timescale of several hundred femtoseconds. The mechanism involves polaritons with optimal energy levels that allow the exciton to overcome the high Coulomb barrier induced by electron–hole attraction. Moreover, we propose that a second-hybridization between a polariton state and dark states with similar energy enables the formation of the hybrid charge separated states that are optically active. These two mechanisms lead to a maximum of 50% enhancement of free charge carrier generation on a short timescale. However, our simulation reveals that on the longer timescale of picoseconds, internal conversion and cavity loss dominate and suppress free charge carrier generation, reproducing the experimental results. Thus, our work shows that polaritons can affect the charge separation mechanism and promote free charge carrier generation efficiency, but predominantly on a short timescale after photoexcitation.
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3

Webber, S., and M. R. Jeffrey. "Loss of Determinacy at Small Scales, with Application to Multiple Timescale and Nonsmooth Dynamics." International Journal of Bifurcation and Chaos 31, no. 03 (March 15, 2021): 2150041. http://dx.doi.org/10.1142/s0218127421500413.

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A singularity is described that creates a forward time loss of determinacy in a two-timescale system, in the limit where the timescale separation is large. We describe how the situation can arise in a dynamical system of two fast variables and three slow variables or parameters, with weakly coupling between the fast variables. A wide set of initial conditions enters the [Formula: see text]-neighborhood of the singularity, and explodes back out of it to fill a large region of phase space, all in finite time. The scenario has particular significance in the application to piecewise-smooth systems, where it arises in the blow up of dynamics at a discontinuity and is followed by abrupt recollapse of solutions to “hide” the loss of determinacy, and yet leave behind a remnant of it in the global dynamics. This constitutes a generalization of a “micro-slip” phenomenon found recently in spring-coupled blocks, whereby coupled oscillators undergo unpredictable stick-slip-stick sequences instigated by a higher codimension form of the singularity. The indeterminacy is localized to brief slips events, but remains evident in the indeterminate sequencing of near-simultaneous slips of multiple blocks.
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4

Costa, Antonio C., Tosif Ahamed, David Jordan, and Greg J. Stephens. "Maximally predictive states: From partial observations to long timescales." Chaos: An Interdisciplinary Journal of Nonlinear Science 33, no. 2 (February 2023): 023136. http://dx.doi.org/10.1063/5.0129398.

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Isolating slower dynamics from fast fluctuations has proven remarkably powerful, but how do we proceed from partial observations of dynamical systems for which we lack underlying equations? Here, we construct maximally predictive states by concatenating measurements in time, partitioning the resulting sequences using maximum entropy, and choosing the sequence length to maximize short-time predictive information. Transitions between these states yield a simple approximation of the transfer operator, which we use to reveal timescale separation and long-lived collective modes through the operator spectrum. Applicable to both deterministic and stochastic processes, we illustrate our approach through partial observations of the Lorenz system and the stochastic dynamics of a particle in a double-well potential. We use our transfer operator approach to provide a new estimator of the Kolmogorov–Sinai entropy, which we demonstrate in discrete and continuous-time systems, as well as the movement behavior of the nematode worm C. elegans.
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5

Williamson, M. S., S. Bathiany, and T. M. Lenton. "Early warning signals of tipping points in periodically forced systems." Earth System Dynamics Discussions 6, no. 2 (November 6, 2015): 2243–72. http://dx.doi.org/10.5194/esdd-6-2243-2015.

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Abstract. The prospect of finding generic early warning signals of an approaching tipping point in a complex system has generated much recent interest. Existing methods are predicated on a separation of timescales between the system studied and its forcing. However, many systems, including several candidate tipping elements in the climate system, are forced periodically at a timescale comparable to their internal dynamics. Here we find alternative early warning signals of tipping points due to local bifurcations in systems subjected to periodic forcing whose time scale is similar to the period of the forcing. These systems are not in, or close to, a fixed point. Instead their steady state is described by a periodic attractor. We show that the phase lag and amplification of the system response provide early warning signals, based on a linear dynamics approximation. Furthermore, the power spectrum of the system's time series reveals the generation of harmonics of the forcing period, the size of which are proportional to how nonlinear the system's response is becoming with nonlinear effects becoming more prominent closer to a bifurcation. We apply these indicators to a simple conceptual system and satellite observations of Arctic sea ice area, the latter conjectured to have a bifurcation type tipping point. We find no detectable signal of the Arctic sea ice approaching a local bifurcation.
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6

Ha, Sang Wook, and Bong Seok Park. "Disturbance Observer-Based Control for Trajectory Tracking of a Quadrotor." Electronics 9, no. 10 (October 2, 2020): 1624. http://dx.doi.org/10.3390/electronics9101624.

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This paper presents a new control approach for the trajectory tracking of a quadrotor in the presence of external disturbances. Unlike in previous studies using hierarchical control strategies, a nonlinear controller is designed by introducing new state transformations that can use Euler angles as virtual control inputs. Thus, the proposed method can eliminate the timescale separation assumption of hierarchical control strategies. To estimate the external disturbances involved in the translational and rotational dynamics of the quadrotor, disturbance observers are developed. Using state transformations and estimates of external disturbances, we design a robust nonlinear controller based on the dynamic surface control method. The stability of the closed-loop system is analyzed without separation into two subsystems. From the Lyapunov stability theory, it is proven that all error signals in the closed-loop system are uniformly ultimately bounded and can be made arbitrarily small. Finally, simulation results are presented to demonstrate the performance of the proposed controller.
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7

Benavides, Santiago J., Keaton J. Burns, Basile Gallet, and Glenn R. Flierl. "Effective Drag in Rotating, Poorly Conducting Plasma Turbulence." Astrophysical Journal 938, no. 2 (October 1, 2022): 92. http://dx.doi.org/10.3847/1538-4357/ac9137.

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Abstract Despite the increasing sophistication of numerical models of hot Jupiter atmospheres, the large timescale separation required in simulating the wide range in electrical conductivity between the dayside and nightside has made it difficult to run fully consistent magnetohydrodynamic (MHD) models. This has led to many studies that resort to drag parameterizations of MHD. In this study, we revisit the question of the Lorentz force as an effective drag by running a series of direct numerical simulations of a weakly rotating, poorly conducting flow in the presence of a misaligned, strong background magnetic field. We find that the drag parameterization fails once the timescale associated with the Lorentz force becomes shorter than the dynamical timescale in the system, beyond which the effective drag coefficient remains roughly constant, despite orders-of-magnitude variation in the Lorentz (magnetic) timescale. We offer an improvement to the drag parameterization by considering the relevant asymptotic limit of low conductivity and strong background magnetic field, known as the quasi-static MHD approximation of the Lorentz force. This approximation removes the fast timescale associated with magnetic diffusion, but retains a more complex version of the Lorentz force, which could be utilized in future numerical models of hot Jupiter atmospheric circulation.
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8

Lee, Ka Kit, Darren Yi Sern Low, Mei Ling Foo, Lih Jiun Yu, Thomas Shean Yaw Choong, Siah Ying Tang, and Khang Wei Tan. "Molecular Dynamics Simulation of Nanocellulose-Stabilized Pickering Emulsions." Polymers 13, no. 4 (February 23, 2021): 668. http://dx.doi.org/10.3390/polym13040668.

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While the economy is rapidly expanding in most emerging countries, issues coupled with a higher population has created foreseeable tension among food, water, and energy. It is crucial for more sustainable valorization of resources, for instance, nanocellulose, to address the core challenges in environmental sustainability. As the complexity of the system evolved, the timescale of project development has increased exponentially. However, research on the design and operation of integrated nanomaterials, along with energy supply, monitoring, and control infrastructure, has seriously lagged. The development cost of new materials can be significantly reduced by utilizing molecular simulation technology in the design of nanostructured materials. To realize its potential, nanocellulose, an amphiphilic biopolymer with the presence of rich -OH and -CH structural groups, was investigated via molecular dynamics simulation to reveal its full potential as Pickering emulsion stabilizer at the molecular level. This work has successfully quantified the Pickering stabilization mechanism profiles by nanocellulose, and the phenomenon could be visualized in three stages, namely the initial homogenous phase, rapid formation of micelles and coalescence, and lastly the thermodynamic equilibrium of the system. It was also observed that the high bead order was always coupled with a high volume of phase separation activities, through a coarse-grained model within 20,000 time steps. The outcome of this work would be helpful to provide an important perspective for the future design and development of nanocellulose-based emulsion products, which cater for food, cosmeceutical, and pharmaceutical industries.
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9

Wouters, Jeroen, Stamen Iankov Dolaptchiev, Valerio Lucarini, and Ulrich Achatz. "Parameterization of stochastic multiscale triads." Nonlinear Processes in Geophysics 23, no. 6 (November 28, 2016): 435–45. http://dx.doi.org/10.5194/npg-23-435-2016.

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Abstract. We discuss applications of a recently developed method for model reduction based on linear response theory of weakly coupled dynamical systems. We apply the weak coupling method to simple stochastic differential equations with slow and fast degrees of freedom. The weak coupling model reduction method results in general in a non-Markovian system; we therefore discuss the Markovianization of the system to allow for straightforward numerical integration. We compare the applied method to the equations obtained through homogenization in the limit of large timescale separation between slow and fast degrees of freedom. We numerically compare the ensemble spread from a fixed initial condition, correlation functions and exit times from a domain. The weak coupling method gives more accurate results in all test cases, albeit with a higher numerical cost.
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10

Paddon-Row, Michael N. "Superexchange-Mediated Charge Separation and Charge Recombination in Covalently Linked Donor - Bridge - Acceptor Systems." Australian Journal of Chemistry 56, no. 8 (2003): 729. http://dx.doi.org/10.1071/ch02249.

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Evidence is presented in support of the concept that electron transfer (ET) between a pair of chromophores may take place efficiently over large distances (>10 Å) by the mediation of an intervening saturated hydrocarbon medium. For example, ET is found to take place on a sub-nanosecond timescale through saturated norbornylogous bridges greater than 13 Å in length, by a superexchange (through-bond coupling) mechanism. The dependence of the ET dynamics on the bridge length and configuration are consistent with the operation of a superexchange mechanism. The distinction between molecular wire behaviour and superexchange-mediated ET is made. The distance dependence of ET dynamics through different types of bridges—saturated and unsaturated hydrocarbon bridges, proteins, and duplex DNA—is discussed and explained. Strategies for prolonging the lifetimes of charge-separated states are explored and discussed. In general, long-lived charge-separated species have been generated using giant multichromophoric systems in which the charges are separated by large distances, often exceeding 20 Å. In contrast, it is shown that very long-lived charge-separated states, possessing the triplet multiplicity, may be generated using short ‘dwarf’ dyads, in which the charges are less than 6 Å apart. Charge recombination in these species is slowed by the difference in electron spin multiplicity between the charge-separated state and the ground state.
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11

Gessner, Oliver. "(Invited) Discovering Bottlenecks and Opportunities in Hybrid Solar Light Harvesting Systems By Ultrafast X-Ray Spectroscopy." ECS Meeting Abstracts MA2022-01, no. 36 (July 7, 2022): 1580. http://dx.doi.org/10.1149/ma2022-01361580mtgabs.

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A prerequisite for advancing hybrid solar light harvesting systems is a comprehensive understanding of photoinduced electronic dynamics across a wide range of spatial and temporal scales. Time-resolved spectroscopy techniques in the optical domain have proven instrumental in identifying critical timescales of fundamental processes, such as interfacial charge transfer, charge migration, and carrier lifetimes, which are intimately linked to a system's performance. New light source and instrument developments open opportunities to extend such studies into the X-ray regime. Due to their inherent elemental specificity and sensitivity to local electronic environments, time-domain X-ray spectroscopy techniques are uniquely suited to gain a microscopic picture of dynamics from well-defined reporter sites within often complex nanoscale light harvesting architectures. We will present new insights into fundamental photoinduced dynamics in several archetypical heterostructures based on femtosecond and picosecond time-resolved X-ray photoemission spectroscopy (TRXPS). The photoinduced transient charge redistribution in the model hybrid system of nanoporous zinc oxide (ZnO) sensitized by ruthenium bipyridyl chromophores is probed independently from the viewpoints of the molecular electron donor and the semiconductor acceptor.[1] Charge injection from the chromophore into the semiconductor is found to proceed via a transiently populated interfacial charge transfer (ICT) complex on an overall timescale of ~300 ps. Our results show that, even after release from the ICT states into the ZnO conduction band, the injected electrons remain localized within less than 6 nm from the interface, due to enhanced downward band-bending by the photo-injected charge carriers. This spatial confinement suggests that light-induced charge generation and transport in nanoscale ZnO photocatalytic devices proceeds predominantly within the defect-rich surface region, which may lead to enhanced surface recombination and explain their lower performance compared to titanium dioxide (TiO2)-based systems. The quantitative nature and surface sensitivity of TRXPS also provides direct access to the spatial separation of the holes remaining on the bipyridyl chromophores after charge injection from the semiconductor surface with sub-nm precision. Complementary femtosecond and picosecond TRXPS studies of photoinduced dynamics in copper-phthalocyanine(CuPc)-C60 heterojunctions provide a deeper understanding of both exciton migration pathways toward the interface as well as the absolute efficiency by which ICT states dissociate into separate charges.[2] The measurements reveal surprisingly efficient charge generation from triplet excitons and from the lowest lying ICT states, both of which were previously believed to be inactive during light-to-charge conversion. Photoinduced charge transfer dynamics between spherical gold nanoparticles (AuNPs) and a nanoporous film of TiO2 is monitored by picosecond TRXPS, providing direct access to the absolute photon-to-charge conversion efficiency and subsequent electron-hole recombination dynamics.[3] Preliminary results will be presented for the extension of the measurements into the ambient pressure regime, taking a first step toward the study of photoinduced interfacial chemistry by TRXPS in this model system for nanoplasmonic light harvesting applications. [1] S. Neppl et al., “Nanoscale Confinement of Photo-Injected Electrons at Hybrid Interfaces”, J. Phys. Chem. Lett. 12, 11951 (2021). [2] F. Roth et al., “Direct observation of charge separation in an organic light harvesting system by femtosecond time-resolved XPS”, Nat. Commun. 12, 1196 (2021). [3] M. Borgwardt et al., “Photoinduced Charge Carrier Dynamics and Electron Injection Efficiencies in Au Nanoparticle-Sensitized TiO2 Determined with Picosecond Time-Resolved X-ray Photoelectron Spectroscopy”, J. Phys. Chem. Lett. 11, 5476 (2020). Figure 1
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12

Kranjec, Andrej, Petr Karpov, Yevhenii Vaskivskyi, Jaka Vodeb, Yaroslav Gerasimenko, and Dragan Mihailovic. "Electronic Dislocation Dynamics in Metastable Wigner Crystal States." Symmetry 14, no. 5 (May 1, 2022): 926. http://dx.doi.org/10.3390/sym14050926.

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Metastable states appear in many areas of physics as a result of symmetry-breaking phase transitions. An important challenge is to understand the microscopic mechanisms which lead to the formation of the energy barrier separating a metastable state from the ground state. In this paper, we describe an experimental example of the hidden metastable domain state in 1T-TaS2, created by photoexcitation or carrier injection. The system is an example of a charge density wave superlattice in the Wigner crystal limit displaying discommensurations and domain formation when additional charge is injected either through contacts or by photoexcitation. The domain walls and their crossings in particular display interesting, topologically entangled structures, which have a crucial role in the metastability of the system. We model the properties of experimentally observed thermally activated dynamics of topologically protected defects—dislocations—whose annihilation dynamics can be observed experimentally by scanning tunnelling microscopy as emergent phenomena described by a doped Wigner crystal. The different dynamics of trivial and non-trivial topological defects are quite striking. Trivial defects appear to annihilate quite rapidly at low temperatures on the timescale of the experiments, while non-trivial defects annihilate rarely, if at all.
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13

Sanchez-Laulhe, Ernesto, Ramon Fernandez-Feria, and Anibal Ollero. "Simplified Model for Forward-Flight Transitions of a Bio-Inspired Unmanned Aerial Vehicle." Aerospace 9, no. 10 (October 18, 2022): 617. http://dx.doi.org/10.3390/aerospace9100617.

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A new forward-flight model for bird-like ornithopters is presented. The flight dynamics model uses results from potential, unsteady aerodynamics to characterize the forces generated by the flapping wings, including the effects of the dynamic variables on the aerodynamic formulation. Numerical results of the model, which are validated with flapping flight experimental data of an ornithopter prototype, show that state variables such as the pitch angle and the angle of attack oscillate with the flapping frequency, while their mean values converge towards steady-state values. The theoretical analysis of the system shows a clear separation of timescales between flapping oscillations and transient convergence towards the final forward-flight state, which is used to substantially simplify both the interpretation and the solution of the dynamic equations. Particularly, the asymptotic separation into three timescales allows for dividing the problem into a much simpler set of linear equations. The theoretical approximation, which fits the numerical results, provides a direct look into the influence of the design and control parameters using fewer computational resources. Therefore, this model provides a useful tool for the design, navigation and trajectory planning and control of flapping wing UAVs.
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14

van Elteren, A., S. Portegies Zwart, I. Pelupessy, M. X. Cai, and S. L. W. McMillan. "Survivability of planetary systems in young and dense star clusters." Astronomy & Astrophysics 624 (April 2019): A120. http://dx.doi.org/10.1051/0004-6361/201834641.

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Aims. We perform a simulation using the Astrophysical Multipurpose Software Environment of the Orion Trapezium star cluster in which the evolution of the stars and the dynamics of planetary systems are taken into account. Methods. The initial conditions from earlier simulations were selected in which the size and mass distributions of the observed circumstellar disks in this cluster are satisfactorily reproduced. Four, five, or size planets per star were introduced in orbit around the 500 solar-like stars with a maximum orbital separation of 400 au. Results. Our study focuses on the production of free-floating planets. A total of 357 become unbound from a total of 2522 planets in the initial conditions of the simulation. Of these, 281 leave the cluster within the crossing timescale of the star cluster; the others remain bound to the cluster as free-floating intra-cluster planets. Five of these free-floating intra-cluster planets are captured at a later time by another star. Conclusions. The two main mechanisms by which planets are lost from their host star, ejection upon a strong encounter with another star or internal planetary scattering, drive the evaporation independent of planet mass of orbital separation at birth. The effect of small perturbations due to slow changes in the cluster potential are important for the evolution of planetary systems. In addition, the probability of a star to lose a planet is independent of the planet mass and independent of its initial orbital separation. As a consequence, the mass distribution of free-floating planets is indistinguishable from the mass distribution of planets bound to their host star.
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15

Mukherjee, Siddhartha, Arman Safdari, Orest Shardt, Saša Kenjereš, and Harry E. A. Van den Akker. "Droplet–turbulence interactions and quasi-equilibrium dynamics in turbulent emulsions." Journal of Fluid Mechanics 878 (September 6, 2019): 221–76. http://dx.doi.org/10.1017/jfm.2019.654.

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We perform direct numerical simulations (DNS) of emulsions in homogeneous isotropic turbulence using a pseudopotential lattice-Boltzmann (PP-LB) method. Improving on previous literature by minimizing droplet dissolution and spurious currents, we show that the PP-LB technique is capable of long stable simulations in certain parameter regions. Varying the dispersed-phase volume fraction $\unicode[STIX]{x1D719}$, we demonstrate that droplet breakup extracts kinetic energy from the larger scales while injecting energy into the smaller scales, increasingly with higher $\unicode[STIX]{x1D719}$, with approximately the Hinze scale (Hinze, AIChE J., vol. 1 (3), 1955, pp. 289–295) separating the two effects. A generalization of the Hinze scale is proposed, which applies both to dense and dilute suspensions, including cases where there is a deviation from the $k^{-5/3}$ inertial range scaling and where coalescence becomes dominant. This is done using the Weber number spectrum $We(k)$, constructed from the multiphase kinetic energy spectrum $E(k)$, which indicates the critical droplet scale at which $We\approx 1$. This scale roughly separates coalescence and breakup dynamics as it closely corresponds to the transition of the droplet size ($d$) distribution into a $d^{-10/3}$ scaling (Garrett et al., J. Phys. Oceanogr., vol. 30 (9), 2000, pp. 2163–2171; Deane & Stokes, Nature, vol. 418 (6900), 2002, p. 839). We show the need to maintain a separation of the turbulence forcing scale and domain size to prevent the formation of large connected regions of the dispersed phase. For the first time, we show that turbulent emulsions evolve into a quasi-equilibrium cycle of alternating coalescence and breakup dominated processes. Studying the system in its state-space comprising kinetic energy $E_{k}$, enstrophy $\unicode[STIX]{x1D714}^{2}$ and the droplet number density $N_{d}$, we find that their dynamics resemble limit cycles with a time delay. Extreme values in the evolution of $E_{k}$ are manifested in the evolution of $\unicode[STIX]{x1D714}^{2}$ and $N_{d}$ with a delay of ${\sim}0.3{\mathcal{T}}$ and ${\sim}0.9{\mathcal{T}}$ respectively (with ${\mathcal{T}}$ the large eddy timescale). Lastly, we also show that flow topology of turbulence in an emulsion is significantly more different from single-phase turbulence than previously thought. In particular, vortex compression and axial straining mechanisms increase in the droplet phase.
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16

Tjiputra, Jerry F., Jörg Schwinger, Mats Bentsen, Anne L. Morée, Shuang Gao, Ingo Bethke, Christoph Heinze, et al. "Ocean biogeochemistry in the Norwegian Earth System Model version 2 (NorESM2)." Geoscientific Model Development 13, no. 5 (May 26, 2020): 2393–431. http://dx.doi.org/10.5194/gmd-13-2393-2020.

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Abstract. The ocean carbon cycle is a key player in the climate system through its role in regulating the atmospheric carbon dioxide concentration and other processes that alter the Earth's radiative balance. In the second version of the Norwegian Earth System Model (NorESM2), the oceanic carbon cycle component has gone through numerous updates that include, amongst others, improved process representations, increased interactions with the atmosphere, and additional new tracers. Oceanic dimethyl sulfide (DMS) is now prognostically simulated and its fluxes are directly coupled with the atmospheric component, leading to a direct feedback to the climate. Atmospheric nitrogen deposition and additional riverine inputs of other biogeochemical tracers have recently been included in the model. The implementation of new tracers such as “preformed” and “natural” tracers enables a separation of physical from biogeochemical drivers as well as of internal from external forcings and hence a better diagnostic of the simulated biogeochemical variability. Carbon isotope tracers have been implemented and will be relevant for studying long-term past climate changes. Here, we describe these new model implementations and present an evaluation of the model's performance in simulating the observed climatological states of water-column biogeochemistry and in simulating transient evolution over the historical period. Compared to its predecessor NorESM1, the new model's performance has improved considerably in many aspects. In the interior, the observed spatial patterns of nutrients, oxygen, and carbon chemistry are better reproduced, reducing the overall model biases. A new set of ecosystem parameters and improved mixed layer dynamics improve the representation of upper-ocean processes (biological production and air–sea CO2 fluxes) at seasonal timescale. Transient warming and air–sea CO2 fluxes over the historical period are also in good agreement with observation-based estimates. NorESM2 participates in the Coupled Model Intercomparison Project phase 6 (CMIP6) through DECK (Diagnostic, Evaluation and Characterization of Klima) and several endorsed MIP simulations.
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17

Adalsteinsson, Helgi, Bert J. Debusschere, Kevin R. Long, and Habib N. Najm. "Components for Atomistic-to-Continuum Multiscale Modeling of Flow in Micro- and Nanofluidic Systems." Scientific Programming 16, no. 4 (2008): 297–313. http://dx.doi.org/10.1155/2008/738576.

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Micro- and nanofluidics pose a series of significant challenges for science-based modeling. Key among those are the wide separation of length- and timescales between interface phenomena and bulk flow and the spatially heterogeneous solution properties near solid-liquid interfaces. It is not uncommon for characteristic scales in these systems to span nine orders of magnitude from the atomic motions in particle dynamics up to evolution of mass transport at the macroscale level, making explicit particle models intractable for all but the simplest systems. Recently, atomistic-to-continuum (A2C) multiscale simulations have gained a lot of interest as an approach to rigorously handle particle-level dynamics while also tracking evolution of large-scale macroscale behavior. While these methods are clearly not applicable to all classes of simulations, they are finding traction in systems in which tight-binding, and physically important, dynamics at system interfaces have complex effects on the slower-evolving large-scale evolution of the surrounding medium. These conditions allow decomposition of the simulation into discrete domains, either spatially or temporally. In this paper, we describe how features of domain decomposed simulation systems can be harnessed to yield flexible and efficient software for multiscale simulations of electric field-driven micro- and nanofluidics.
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18

Seckler, Marcelo Martins. "Crystallization in Fluidized Bed Reactors: From Fundamental Knowledge to Full-Scale Applications." Crystals 12, no. 11 (October 28, 2022): 1541. http://dx.doi.org/10.3390/cryst12111541.

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A review is presented on fifty years of research on crystallization in fluidized bed reactors (FBRs). FBRs are suitable for recovery of slightly soluble compounds from aqueous solutions, as it yields large, millimeter sized particles, which are suitable for reuse and permits low liquid residence times in the timescale of minutes. Full-scale applications for water softening have been applied since the 1980s, and since then, new applications have been developed or are in development for recovery of phosphorus, magnesium, fluoride, metals, sulfate, and boron. Process integration with membrane, adsorption, and biological processes have led to improved processes and environmental indicators. Recently, novel FBR concepts have been proposed, such as the aerated FBR for chemical-free precipitation of calcium carbonate, the seedless FBR to yield pure particulate products, a circulating FBR for economic recovery and extended use of seeds, as well as coupled FBRs for separation of chiral compounds and FBRs in precipitation with supercritical fluids. Advances are reported in the understanding of elementary phenomena in FBRs and on mathematical models for fluid dynamics, precipitation kinetics, and FBR systems. Their role is highlighted for process understanding, optimization and control at bench to full-scale. Future challenges are discussed.
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19

Rominger, Andrew J., Miguel A. Fuentes, and Pablo A. Marquet. "Nonequilibrium evolution of volatility in origination and extinction explains fat-tailed fluctuations in Phanerozoic biodiversity." Science Advances 5, no. 6 (June 2019): eaat0122. http://dx.doi.org/10.1126/sciadv.aat0122.

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Fluctuations in biodiversity, large and small, pervade the fossil record, yet we do not understand the processes generating them. Here, we extend theory from nonequilibrium statistical physics to describe the fat-tailed form of fluctuations in Phanerozoic marine invertebrate richness. Using this theory, known as superstatistics, we show that heterogeneous rates of origination and extinction between clades and conserved rates within clades account for this fat-tailed form. We identify orders and families as the taxonomic levels at which clades experience interclade heterogeneity and within-clade homogeneity of rates, indicating that families are subsystems in local statistical equilibrium, while the entire system is not. The separation of timescales between within-clade background rates and the origin of major innovations producing new orders and families allows within-clade dynamics to reach equilibrium, while between-clade dynamics do not. The distribution of different dynamics across clades is consistent with niche conservatism and pulsed exploration of adaptive landscapes.
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Petit, Antoine C., Gabriele Pichierri, Melvyn B. Davies, and Anders Johansen. "The path to instability in compact multi-planetary systems." Astronomy & Astrophysics 641 (September 2020): A176. http://dx.doi.org/10.1051/0004-6361/202038764.

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The dynamical stability of tightly packed exoplanetary systems remains poorly understood. While a sharp stability boundary exists for a two-planet system, numerical simulations of three-planet systems and higher show that they can experience instability on timescales up to billions of years. Moreover, an exponential trend between the planet orbital separation measured in units of Hill radii and the survival time has been reported. While these findings have been observed in numerous numerical simulations, little is known of the actual mechanism leading to instability. Contrary to a constant diffusion process, planetary systems seem to remain dynamically quiescent for most of their lifetime before a very short unstable phase. In this work, we show how the slow chaotic diffusion due to the overlap of three-body resonances dominates the timescale leading to the instability for initially coplanar and circular orbits. While the last instability phase is related to scattering due to two-planet mean motion resonances (MMRs), for circular orbits the two-planets MMRs are too far separated to destabilise systems initially away from them. The studied mechanism reproduces the qualitative behaviour found in numerical simulations very well. We develop an analytical model to generalise the empirical trend obtained for equal-mass and equally spaced planets to general systems on initially circular orbits. We obtain an analytical estimate of the survival time consistent with numerical simulations over four orders of magnitude for the planet-to-star-mass ratio ε, and 6 to 8 orders of magnitude for the instability time. We also confirm that measuring the orbital spacing in terms of Hill radii is not adapted and that the right spacing unit scales as ε1∕4. We predict that beyond a certain spacing, the three-planet resonances are not overlapped, which results in an increase of the survival time. We confirm these findings with the aid of numerical simulations of three-planet systems with different masses. We finally discuss the extension of our result to more general systems, containing more planets on initially non-circular orbits.
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Sahoo, Debgopal, Guruprasad Samanta, and Manuel De la Sen. "Impact of Fear and Habitat Complexity in a Predator-Prey System with Two Different Shaped Functional Responses: A Comparative Study." Discrete Dynamics in Nature and Society 2021 (September 10, 2021): 1–22. http://dx.doi.org/10.1155/2021/6427864.

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Habitat complexity or the structural complexity of habitat reduces the available space for interacting species, and subsequently, the encounter rate between the prey and predator is decreased significantly. Different experimental shreds of evidence validate that the presence of the predator strongly affects the physiological behaviour of prey individuals and dramatically reduces their reproduction rate. In this study, we investigate the interplay between the level of fear and the degree of habitat complexity in a predator-prey model with two different shaped functional responses. We, therefore, develop the functional response using the timescale separation method, and the shape of the resulting functional response depends upon the monotonous property of catch rate, g N where N is the prey biomass. Whenever g N increases strictly, a saturating functional response occurs, but for nonmonotonic g N , a dome-shaped functional response arises. For saturating case, it has been revealed that both prey and predator biomass may oscillate for lower levels of fear and a lower degree of habitat complexity. To stabilize this oscillatory behaviour to a coexistence state, we have to adequately increase the level of fear or degree of habitat complexity. However, for dome-shaped case, more complicated dynamics are observed. In this case, coexistence steady state, if exists, may be locally asymptotically stable for a lower degree of habitat complexity, but for intermediate values, the system is capable of producing multiple coexistence steady states with a bistable phenomenon between predator-free steady state and a coexistence steady state. Moreover, if the level of fear is sufficiently low, the system may experience a supercritical or/and subcritical Hopf bifurcation. In the dynamics of parametric disturbance for the degree of habitat complexity parameter, dome-shaped functional response predicts that disturbance may trap the system into a nearest attractor (either a large amplitude stable limit cycle or predator-free steady state); this can be overcome only by a larger alteration, or sometimes it is impossible to overcome (hysteresis phenomena), whereas the saturating-shaped functional response predicts a system resilience. For both the functional responses, a higher degree of habitat complexity always increases the extinction possibility of the predator, and no level of fear can compensate this biodiversity loss.
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Hofer, Matthias, Jasan Zughaibi, and Raffaello D’Andrea. "Design and Control of an Inflatable Spherical Robotic Arm for Pick and Place Applications." Actuators 10, no. 11 (November 11, 2021): 299. http://dx.doi.org/10.3390/act10110299.

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We present an inflatable soft robotic arm made of fabric that leverages state-of-the-art manufacturing techniques, leading to a robust and reliable manipulator. Three bellow-type actuators are used to control two rotational degrees of freedom, as well as the joint stiffness that is coupled to a longitudinal elongation of the movable link used to grasp objects. The design is motivated by a safety analysis based on first principles. It shows that the interaction forces during an unexpected collision are primarily caused by the attached payload mass, but can be reduced by a lightweight design of the robot arm. A control allocation strategy is employed that simplifies the modeling and control of the robot arm and we show that a particular property of the allocation strategy ensures equal usage of the actuators and valves. The modeling and control approach systematically incorporates the effect of changing joint stiffness and the presence of a payload mass. An investigation of the valve flow capacity reveals that a proper timescale separation between the pressure and arm dynamics is only given for sufficient flow capacity. Otherwise, the applied cascaded control approach can introduce oscillatory behavior, degrading the overall control performance. A closed form feed forward strategy is derived that compensates errors induced by the longitudinal elongation of the movable link and allows the realization of different object manipulation applications. In one of the applications, the robot arm hands an object over to a human, emphasizing the safety aspect of the soft robotic system. Thereby, the intrinsic compliance of the robot arm is leveraged to detect the time when the robot should release the object.
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23

Boccaletti, A., E. Sezestre, A. M. Lagrange, P. Thébault, R. Gratton, M. Langlois, C. Thalmann, et al. "Observations of fast-moving features in the debris disk of AU Mic on a three-year timescale: Confirmation and new discoveries." Astronomy & Astrophysics 614 (June 2018): A52. http://dx.doi.org/10.1051/0004-6361/201732462.

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Context. The nearby and young M star AU Mic is surrounded by a debris disk in which we previously identified a series of large-scale arch-like structures that have never been seen before in any other debris disk and that move outward at high velocities. Aims. We initiated a monitoring program with the following objectives: (1) track the location of the structures and better constrain their projected speeds, (2) search for new features emerging closer in, and ultimately (3) understand the mechanism responsible for the motion and production of the disk features. Methods. AU Mic was observed at 11 different epochs between August 2014 and October 2017 with the IR camera and spectrograph of SPHERE. These high-contrast imaging data were processed with a variety of angular, spectral, and polarimetric differential imaging techniques to reveal the faintest structures in the disk. We measured the projected separations of the features in a systematic way for all epochs. We also applied the very same measurements to older observations from the Hubble Space Telescope (HST) with the visible cameras STIS and ACS. Results. The main outcomes of this work are (1) the recovery of the five southeastern broad arch-like structures we identified in our first study, and confirmation of their fast motion (projected speed in the range 4–12 km s−1); (2) the confirmation that the very first structures observed in 2004 with ACS are indeed connected to those observed later with STIS and now SPHERE; (3) the discovery of two new very compact structures at the northwest side of the disk (at 0.40′′ and 0.55′′ in May 2015) that move to the southeast at low speed; and (4) the identification of a new arch-like structure that might be emerging at the southeast side at about 0.4′′ from the star (as of May 2016). Conclusions. Although the exquisite sensitivity of SPHERE allows one to follow the evolution not only of the projected separation, but also of the specific morphology of each individual feature, it remains difficult to distinguish between possible dynamical scenarios that may explain the observations. Understanding the exact origin of these features, the way they are generated, and their evolution over time is certainly a significant challenge in the context of planetary system formation around M stars.
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Quinn, Courtney, Terence J. O'Kane, and Vassili Kitsios. "Application of a local attractor dimension to reduced space strongly coupled data assimilation for chaotic multiscale systems." Nonlinear Processes in Geophysics 27, no. 1 (February 19, 2020): 51–74. http://dx.doi.org/10.5194/npg-27-51-2020.

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Abstract. The basis and challenge of strongly coupled data assimilation (CDA) is the accurate representation of cross-domain covariances between various coupled subsystems with disparate spatio-temporal scales, where often one or more subsystems are unobserved. In this study, we explore strong CDA using ensemble Kalman filtering methods applied to a conceptual multiscale chaotic model consisting of three coupled Lorenz attractors. We introduce the use of the local attractor dimension (i.e. the Kaplan–Yorke dimension, dimKY) to prescribe the rank of the background covariance matrix which we construct using a variable number of weighted covariant Lyapunov vectors (CLVs). Specifically, we consider the ability to track the nonlinear trajectory of each of the subsystems with different variants of sparse observations, relying only on the cross-domain covariance to determine an accurate analysis for tracking the trajectory of the unobserved subdomain. We find that spanning the global unstable and neutral subspaces is not sufficient at times where the nonlinear dynamics and intermittent linear error growth along a stable direction combine. At such times a subset of the local stable subspace is also needed to be represented in the ensemble. In this regard the local dimKY provides an accurate estimate of the required rank. Additionally, we show that spanning the full space does not improve performance significantly relative to spanning only the subspace determined by the local dimension. Where weak coupling between subsystems leads to covariance collapse in one or more of the unobserved subsystems, we apply a novel modified Kalman gain where the background covariances are scaled by their Frobenius norm. This modified gain increases the magnitude of the innovations and the effective dimension of the unobserved domains relative to the strength of the coupling and timescale separation. We conclude with a discussion on the implications for higher-dimensional systems.
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Micheel, Mathias, Bei Liu, and Maria Wächtler. "Influence of Surface Ligands on Charge-Carrier Trapping and Relaxation in Water-Soluble CdSe@CdS Nanorods." Catalysts 10, no. 10 (October 3, 2020): 1143. http://dx.doi.org/10.3390/catal10101143.

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In this study, the impact of the type of ligand at the surface of colloidal CdSe@CdS dot-in-rod nanostructures on the basic exciton relaxation and charge localization processes is closely examined. These systems have been introduced into the field of artificial photosynthesis as potent photosensitizers in assemblies for light driven hydrogen generation. Following photoinduced exciton generation, electrons can be transferred to catalytic reaction centers while holes localize into the CdSe seed, which can prevent charge recombination and lead to the formation of long-lived charge separation in assemblies containing catalytic reaction centers. These processes are in competition with trapping processes of charges at surface defect sites. The density and type of surface defects strongly depend on the type of ligand used. Here we report on a systematic steady-state and time-resolved spectroscopic investigation of the impact of the type of anchoring group (phosphine oxide, thiols, dithiols, amines) and the bulkiness of the ligand (alkyl chains vs. poly(ethylene glycol) (PEG)) to unravel trapping pathways and localization efficiencies. We show that the introduction of the widely used thiol ligands leads to an increase of hole traps at the surface compared to trioctylphosphine oxide (TOPO) capped rods, which prevent hole localization in the CdSe core. On the other hand, steric restrictions, e.g., in dithiolates or with bulky side chains (PEG), decrease the surface coverage, and increase the density of electron trap states, impacting the recombination dynamics at the ns timescale. The amines in poly(ethylene imine) (PEI) on the other hand can saturate and remove surface traps to a wide extent. Implications for catalysis are discussed.
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26

El Mellah, I., J. Bolte, L. Decin, W. Homan, and R. Keppens. "Wind morphology around cool evolved stars in binaries." Astronomy & Astrophysics 637 (May 2020): A91. http://dx.doi.org/10.1051/0004-6361/202037492.

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Context. The late evolutionary phase of low- and intermediate-mass stars is strongly constrained by their mass-loss rate, which is orders of magnitude higher than during the main sequence. The wind surrounding these cool expanded stars frequently shows nonspherical symmetry, which is thought to be due to an unseen companion orbiting the donor star. The imprints left in the outflow carry information about the companion and also the launching mechanism of these dust-driven winds. Aims. We study the morphology of the circumbinary envelope and identify the conditions of formation of a wind-captured disk around the companion. Long-term orbital changes induced by mass loss and mass transfer to the secondary are also investigated. We pay particular attention to oxygen-rich, that is slowly accelerating, outflows in order to look for systematic differences between the dynamics of the wind around carbon and oxygen-rich asymptotic giant branch (AGB) stars. Methods. We present a model based on a parametrized wind acceleration and a reduced number of dimensionless parameters to connect the wind morphology to the properties of the underlying binary system. Thanks to the high performance code MPI-AMRVAC, we ran an extensive set of 72 three-dimensional hydrodynamics simulations of a progressively accelerating wind propagating in the Roche potential of a mass-losing evolved star in orbit with a main sequence companion. The highly adaptive mesh refinement that we used, enabled us to resolve the flow structure both in the immediate vicinity of the secondary, where bow shocks, outflows, and wind-captured disks form, and up to 40 orbital separations, where spiral arms, arcs, and equatorial density enhancements develop. Results. When the companion is deeply engulfed in the wind, the lower terminal wind speeds and more progressive wind acceleration around oxygen-rich AGB stars make them more prone than carbon-rich AGB stars to display more disturbed outflows, a disk-like structure around the companion, and a wind concentrated in the orbital plane. In these configurations, a large fraction of the wind is captured by the companion, which leads to a significant shrinking of the orbit over the mass-loss timescale, if the donor star is at least a few times more massive than its companion. In the other cases, an increase of the orbital separation is to be expected, though at a rate lower than the mass-loss rate of the donor star. Provided the companion has a mass of at least a tenth of the mass of the donor star, it can compress the wind in the orbital plane up to large distances. Conclusions. The grid of models that we computed covers a wide scope of configurations: We vary the terminal wind speed relative to the orbital speed, the extension of the dust condensation region around the cool evolved star relative to the orbital separation, and the mass ratio, and we consider a carbon-rich and an oxygen-rich donor star. It provides a convenient frame of reference to interpret high-resolution maps of the outflows surrounding cool evolved stars.
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27

Petrie, Ruth Elizabeth, Ross Noel Bannister, and Michael John Priestley Cullen. "The ABC model: a non-hydrostatic toy model for use in convective-scale data assimilation investigations." Geoscientific Model Development 10, no. 12 (December 5, 2017): 4419–41. http://dx.doi.org/10.5194/gmd-10-4419-2017.

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Abstract. In developing methods for convective-scale data assimilation (DA), it is necessary to consider the full range of motions governed by the compressible Navier–Stokes equations (including non-hydrostatic and ageostrophic flow). These equations describe motion on a wide range of timescales with non-linear coupling. For the purpose of developing new DA techniques that suit the convective-scale problem, it is helpful to use so-called toy models that are easy to run and contain the same types of motion as the full equation set. Such a model needs to permit hydrostatic and geostrophic balance at large scales but allow imbalance at small scales, and in particular, it needs to exhibit intermittent convection-like behaviour. Existing toy models are not always sufficient for investigating these issues. A simplified system of intermediate complexity derived from the Euler equations is presented, which supports dispersive gravity and acoustic modes. In this system, the separation of timescales can be greatly reduced by changing the physical parameters. Unlike in existing toy models, this allows the acoustic modes to be treated explicitly and hence inexpensively. In addition, the non-linear coupling induced by the equation of state is simplified. This means that the gravity and acoustic modes are less coupled than in conventional models. A vertical slice formulation is used which contains only dry dynamics. The model is shown to give physically reasonable results, and convective behaviour is generated by localised compressible effects. This model provides an affordable and flexible framework within which some of the complex issues of convective-scale DA can later be investigated. The model is called the ABC model after the three tunable parameters introduced: A (the pure gravity wave frequency), B (the modulation of the divergent term in the continuity equation), and C (defining the compressibility).
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Zoppetti, F. A., C. Beaugé, A. M. Leiva, and H. Folonier. "A self-consistent weak friction model for the tidal evolution of circumbinary planets." Astronomy & Astrophysics 627 (July 2019): A109. http://dx.doi.org/10.1051/0004-6361/201935849.

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We present a self-consistent model for the tidal evolution of circumbinary planets that is easily extensible to any other three-body problem. Based on the weak-friction model, we derive expressions of the resulting forces and torques considering complete tidal interactions between all the bodies of the system. Although the tidal deformation suffered by each extended mass must take into account the combined gravitational effects of the other two bodies, the only tidal forces that have a net effect on the dynamic are those that are applied on the same body that exerts the deformation, as long as no mean-motion resonance exists between the masses. As a working example, we applied the model to the Kepler-38 binary system. The evolution of the spin equations shows that the planet reaches a stationary solution much faster than the stars, and the equilibrium spin frequency is sub-synchronous. The binary components, on the other hand, evolve on a longer timescale, reaching a super-synchronous solution very close to that derived for the two-body problem. The orbital evolution is more complex. After reaching spin stationarity, the eccentricity was damped in all bodies and for all the parameters analysed here. A similar effect is noted for the binary separation. The semimajor axis of the planet, on the other hand, may migrate inwards or outwards, depending on the masses and orbital parameters. In some cases the secular evolution of the system may also exhibit an alignment of the pericenters, requiring the inclusion of additional terms in the tidal model. Finally, we derived analytical expressions for the variational equations of the orbital evolution and spin rates based on low-order elliptical expansions in the semimajor axis ratioαand the eccentricities. These are found to reduce to the well-known two-body case whenα→ 0 or when one of the masses is taken as equal to zero. This model allows us to find a closed and simple analytical expression for the stationary spin rates of all the bodies, as well as predicting the direction and magnitude of the orbital migration.
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FREZZATO, DIEGO, GIACOMO SAIELLI, ANTONINO POLIMENO, and PIER LUIGI NORDIO. "A STOCHASTIC CAGE MODEL FOR THE ORIENTATIONAL DYNAMICS OF SINGLE MOLECULES IN NEMATIC PHASES." International Journal of Modern Physics C 10, no. 02n03 (May 1999): 375–89. http://dx.doi.org/10.1142/s0129183199000280.

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A stochastic cage model for the orientational dynamics of a molecule in isotropic and nematic phases of a liquid crystal has been developed, following the methodology introduced in Refs. 1, 2. The model has been parameterized on the basis of statistical data obtained from the analysis of Molecular Dynamics (MD) simulations of a Gay–Berne mesogen and is based on the general assumption of a timescale separation between the fast inertial librational motion inside the instantaneous cage potential and the slow diffusive motion of the cage itself. The model is able to reproduce single molecule time correlation functions both for the angular momentum and the reorientation of the long molecular axis of the molecule. A complete description of the dynamics of a Gay–Berne particle is given with a single set of physical parameters, from a very fast (hundreds of femtoseconds) timescale up to a timescale of nanoseconds.
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30

Lbadaoui-Darvas, Mária, Satoshi Takahama, and Athanasios Nenes. "Molecular-scale description of interfacial mass transfer in phase-separated aqueous secondary organic aerosol." Atmospheric Chemistry and Physics 21, no. 23 (December 3, 2021): 17687–714. http://dx.doi.org/10.5194/acp-21-17687-2021.

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Abstract. Liquid–liquid phase-separated (LLPS) aerosol particles are known to exhibit increased cloud condensation nuclei (CCN) activity compared to well-mixed ones due to a complex effect of low surface tension and non-ideal mixing. The relation between the two contributions as well as the molecular-scale mechanism of water uptake in the presence of an internal interface within the particle is to date not fully understood. Here we attempt to gain understanding in these aspects through steered molecular dynamics simulation studies of water uptake by a vapor–hydroxy-cis-pinonic acid–water double interfacial system at 200 and 300 K. Simulated free-energy profiles are used to map the water uptake mechanism and are separated into energetic and entropic contributions to highlight its main thermodynamic driving forces. Atmospheric implications are discussed in terms of gas–particle partitioning, intraparticle water redistribution timescales and water vapor equilibrium saturation ratios. Our simulations reveal a strongly temperature-dependent water uptake mechanism, whose most prominent features are determined by local extrema in conformational and orientational entropies near the organic–water interface. This results in a low core uptake coefficient (ko/w=0.03) and a concentration gradient of water in the organic shell at the higher temperature, while entropic effects are negligible at 200 K due to the association-entropic-term reduction in the free-energy profiles. The concentration gradient, which results from non-ideal mixing – and is a major factor in increasing LLPS CCN activity – is responsible for maintaining liquid–liquid phase separation and low surface tension even at very high relative humidities, thus reducing critical supersaturations. Thermodynamic driving forces are rationalized to be generalizable across different compositions. The conditions under which single uptake coefficients can be used to describe growth kinetics as a function of temperature in LLPS particles are described.
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31

Selim, Shababa, Laia Francàs, Miguel García-Tecedor, Sacha Corby, Chris Blackman, Sixto Gimenez, James R. Durrant, and Andreas Kafizas. "WO3/BiVO4: impact of charge separation at the timescale of water oxidation." Chemical Science 10, no. 9 (2019): 2643–52. http://dx.doi.org/10.1039/c8sc04679d.

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32

Jeyakumar, D., and B. Nageswara Rao. "Dynamics of satellite separation system." Journal of Sound and Vibration 297, no. 1-2 (October 2006): 444–55. http://dx.doi.org/10.1016/j.jsv.2006.03.035.

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33

Klenov, Nikolay V., Alexey V. Kuznetsov, Igor I. Soloviev, Sergey V. Bakurskiy, and Olga V. Tikhonova. "Magnetic reversal dynamics of a quantum system on a picosecond timescale." Beilstein Journal of Nanotechnology 6 (September 28, 2015): 1946–56. http://dx.doi.org/10.3762/bjnano.6.199.

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We present our approach for a consistent, fully quantum mechanical description of the magnetization reversal process in natural and artificial atomic systems by means of short magnetic pulses. In terms of the simplest model of a two-level system with a magnetic moment, we analyze the possibility of a fast magnetization reversal on the picosecond timescale induced by oscillating or short unipolar magnetic pulses. We demonstrate the possibility of selective magnetization reversal of a superconducting flux qubit using a single flux quantum-based pulse and suggest a promising, rapid Λ-scheme for resonant implementation of this process. In addition, the magnetization reversal treatment is fulfilled within the framework of the macroscopic theory of the magnetic moment, which allows for the comparison and explanation of the quantum and classical behavior.
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34

Appignanesi, G. A., J. A. Rodriguez Fris, L. M. Alarcón, M. A. Frechero, and R. A. Montani. "Relaxation dynamics of simple glass-formers: The role of timescale separation and activated dynamics at the metabasin level." physica status solidi (c) 2, no. 10 (August 2005): 3532–35. http://dx.doi.org/10.1002/pssc.200461743.

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35

Appignanesi, G. A., L. M. Alarcón, J. A. Rodríguez Fris, M. A. Frechero, and R. A. Montani. "Activated dynamics and timescale separation within the landscape paradigm: signature of complexity, diversity and glassiness." Biophysical Chemistry 115, no. 2-3 (April 2005): 129–34. http://dx.doi.org/10.1016/j.bpc.2004.12.017.

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36

Rantala, Antti, Pauli Pihajoki, and Peter H. Johansson. "KETJU: Post-Newtonian-Accurate Supermassive Black Hole Dynamics in GADGET-3." Proceedings of the International Astronomical Union 12, S324 (September 2016): 342–46. http://dx.doi.org/10.1017/s1743921316013004.

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AbstractWe present KETJU, a new regularized tree code based on algorithmic chain regularization and implemented into Gadget-3. This new code is able to follow simultaneously galactic-scale dynamical and astrophysical processes and the small-scale supermassive black hole binary dynamics. We present here the general idea of this new code and show a test simulation of black hole binary dynamics in a galaxy merger of two massive elliptical galaxies. The separation of the black holes at the time of the merger is several orders of magnitude smaller in KETJU than when compared to ordinary Gadget-3 simulations. The merger timescale is also longer by 100 − 200 Myr.
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37

Sumitani, Shinji, Mio Kobayashi, and Kohtaro Yamada. "Phase-Separation Dynamics in a Multicomponent System." Journal of Signal Processing 19, no. 4 (2015): 103–6. http://dx.doi.org/10.2299/jsp.19.103.

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38

González, Gilberto A., Noe G. Barrera, Gerardo Ayala, J. Aaron Padilla, and David Z. Alvarado. "Quasi-Steady-State Models of Three Timescale Systems: A Bond Graph Approach." Mathematical Problems in Engineering 2019 (October 20, 2019): 1–20. http://dx.doi.org/10.1155/2019/9783740.

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Modelling in bond graph to obtain reduced models of systems with singular perturbations is applied. This singularly perturbed system is characterized by having three timescales, i.e., slow, medium, and fast dynamics. From a bond graph whose storage elements have an integral causality assignment (BGI), the mathematical model of the complete system can be determined. By assigning a derivative causality assignment to the storage elements for the fast dynamics and maintaining an integral causality assignment for the slow and medium dynamics on the bond graph, reduced models for the slow and medium dynamics are obtained. When a derivative causality to the storage elements for the fast and medium dynamics is assigned and an integral causality assignment to the slow dynamics is applied, the most reduced model is determined. Finally, the proposed methodology to the Ward Leonard system is applied.
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Yan, Yaming, Linze Song, and Qiang Shi. "Understanding the free energy barrier and multiple timescale dynamics of charge separation in organic photovoltaic cells." Journal of Chemical Physics 148, no. 8 (February 28, 2018): 084109. http://dx.doi.org/10.1063/1.5017866.

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40

Zhang, Weiya, Yongli Li, Xiaoyong Chang, and Nan Wang. "Singular Perturbation Theory-Based Qualitative Dynamics Investigation of Flywheel Energy Storage System in Discharge Mode." Journal of Applied Mathematics 2014 (2014): 1–17. http://dx.doi.org/10.1155/2014/487596.

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An investigation on qualitative dynamics in a voltage-current dual-loop controlled flywheel energy storage system (FESS) operating in discharge mode is presented in this paper, providing novel insights into the effect of two-timescale characteristics on the safety and stability of energy transmission of FESS. Based on singular perturbation theory, a two-timescale approach is proposed to separate the FESS into the fast and slow subsystems. Stability analysis of the transient fixed points confirms the effects of systemic parameters on FESS’s dynamics and indicates that the FESS shifts from the spiking state to the quiescent state when the slow variable crosses the bifurcation point of the fast subsystem. Mechanism analysis reveals that the root cause of the qualitative dynamics is the voltage instability of the FESS. Moreover, the feasibility boundaries of key parameters are derived, and application requirements of the proposed approach are also discussed, guiding the extension of the approach to engineering applications and solving the dynamics analysis problem to some extent at a theoretical analysis level. Constant voltage discharge experiment is performed based on the FESS test bench built in Key Laboratory of Smart Grid of Ministry of Education, Tianjin University, which validates the theoretical results.
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41

DeDeo, Simon, David Krakauer, and Jessica Flack. "Evidence of strategic periodicities in collective conflict dynamics." Journal of The Royal Society Interface 8, no. 62 (February 16, 2011): 1260–73. http://dx.doi.org/10.1098/rsif.2010.0687.

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We analyse the timescales of conflict decision-making in a primate society. We present evidence for multiple, periodic timescales associated with social decision-making and behavioural patterns. We demonstrate the existence of periodicities that are not directly coupled to environmental cycles or known ultraridian mechanisms. Among specific biological and socially defined demographic classes, periodicities span timescales between hours and days. Our results indicate that these periodicities are not driven by exogenous or internal regularities but are instead driven by strategic responses to social interaction patterns. Analyses also reveal that a class of individuals, playing a critical functional role, policing, have a signature timescale of the order of 1 h. We propose a classification of behavioural timescales analogous to those of the nervous system, with high frequency, or α -scale, behaviour occurring on hour-long scales, through to multi-hour, or β -scale, behaviour, and, finally γ periodicities observed on a timescale of days.
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Xu, Yiming, Xiao Wang, Li Wang, Kai Wang, and Lei Ma. "Learning Control for Flexible Manipulators with Varying Loads: A Composite Method with Robust Adaptive Dynamic Programming and Robust Sliding Mode Control." Electronics 11, no. 6 (March 19, 2022): 956. http://dx.doi.org/10.3390/electronics11060956.

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This paper focuses on the learning-based motion control for flexible manipulators with varying loads via the singularly perturbed technique. Considering the two-timescale feature of the flexible manipulator, system dynamics are decomposed into fast and slow subsystems, and corresponding sub-controllers are designed with robust adaptive dynamic programming (RADP) and robust sliding mode control (RSMC) methods, respectively. In the proposed composite control framework, an RADP-based sub-controller is developed to realize the trajectory tracking and alleviate the parametric uncertainty utilizing rotating angles in the slow timescale, while an RSMC sub-controller is introduced to improve the vibration suppression in the fast timescale. Finally, the stability of the closed-loop system is guaranteed, and simulations are carried out to show the effectiveness of the proposed control algorithm.
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Davis, Nicholas A., Patrick Callaghan, Isla R. Simpson, and Simone Tilmes. "Specified dynamics scheme impacts on wave-mean flow dynamics, convection, and tracer transport in CESM2 (WACCM6)." Atmospheric Chemistry and Physics 22, no. 1 (January 7, 2022): 197–214. http://dx.doi.org/10.5194/acp-22-197-2022.

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Abstract. Specified dynamics schemes are ubiquitous modeling tools for isolating the roles of dynamics and transport on chemical weather and climate. They typically constrain the circulation of a chemistry–climate model to the circulation in a reanalysis product through linear relaxation. However, recent studies suggest that these schemes create a divergence in chemical climate and the meridional circulation between models and do not accurately reproduce trends in the circulation. In this study we perform a systematic assessment of the specified dynamics scheme in the Community Earth System Model version 2, Whole Atmosphere Community Climate Model version 6 (CESM2 (WACCM6)), which proactively nudges the circulation toward the reference meteorology. Specified dynamics experiments are performed over a wide range of nudging timescales and reference meteorology frequencies, with the model's circulation nudged to its own free-running output – a clean test of the specified dynamics scheme. Errors in the circulation scale robustly and inversely with meteorology frequency and have little dependence on the nudging timescale. However, the circulation strength and errors in tracers, tracer transport, and convective mass flux scale robustly and inversely with the nudging timescale. A 12 to 24 h nudging timescale at the highest possible reference meteorology frequency minimizes errors in tracers, clouds, and the circulation, even up to the practical limit of one reference meteorology update every time step. The residual circulation and eddy mixing integrate tracer errors and accumulate them at the end of their characteristic transport pathways, leading to elevated error in the upper troposphere and lower stratosphere and in the polar stratosphere. Even in the most ideal case, there are non-negligible errors in tracers introduced by the nudging scheme. Future development of more sophisticated nudging schemes may be necessary for further progress.
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44

Dotti, Massimo, Monica Colpi, Francesco Haardt, and Lucio Mayer. "Simulating the dynamics of binary black holes in nuclear gaseous discs." Proceedings of the International Astronomical Union 3, S245 (July 2007): 241–42. http://dx.doi.org/10.1017/s1743921308017778.

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AbstractWe study the pairing of massive black holes embedded in a massive circum–nuclear, rotationally supported disc, until they form a close binary. Using high resolution SPH simulations, we follow the black hole dynamics, and in particular the eccentricity evolution, as a function of the composition in stars and gas of the disc. Binary–disc interaction always leads to orbital decay and, in case of co–rotating black holes, to orbit circularization. We present also a higher resolution simulation performed using the particle–splitting technique showing that the binary orbital decay is efficient down to a separation of ~ 0.1 pc, comparable to our new resolution limit. We detail the gaseous mass profile bound to each black hole. Double nuclear activity is expected to occur on an estimated timescale of ≲ 10 Myrs.
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45

Oono, Y., S. Puri, C. Yeung, and M. Bahiana. "Cell dynamical system study of phase separation dynamics." Journal of Applied Crystallography 21, no. 6 (December 1, 1988): 883–85. http://dx.doi.org/10.1107/s0021889888002079.

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46

Voss, Jonathan M., Pavel K. Olshin, Marcel Drabbels, and Ulrich J. Lorenz. "Visualizing Nanoscale Dynamics with Time-resolved Electron Microscopy." CHIMIA 76, no. 9 (September 21, 2022): 754. http://dx.doi.org/10.2533/chimia.2022.754.

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The large number of interactions in nanoscale systems leads to the emergence of complex behavior. Understanding such complexity requires atomic-resolution observations with a time resolution that is high enough to match the characteristic timescale of the system. Our laboratory’s method of choice is time-resolved electron microscopy. In particular, we are interested in the development of novel methods and instrumentation for high-speed observations with atomic resolution. Here, we present an overview of the activities in our laboratory.
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47

Ge, Chenchen, Muyang Liu, and Junru Chen. "Modeling of Direct-Drive Permanent Magnet Synchronous Wind Power Generation System Considering the Power System Analysis in Multi-Timescales." Energies 15, no. 20 (October 11, 2022): 7471. http://dx.doi.org/10.3390/en15207471.

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The dynamics of wind power generation cannot be neglected in the modern power system and could have a great impact on the system dynamics, even raising the risk of a blackout. Because of this, power system simulation has to include the model of wind power generation. However, due to the high order of the full model of the wind power generator, it is impossible to model them in detail in the use of the power system dynamic simulation considering the thousands of wind generators in the grid. In this context, a simplified model is normally used with the trade-off in lower accuracy. As a direct-drive permanent magnet synchronous wind power generation system (D-PMSG) would take up a certain occupation in the modern power system, a proper D-PMSG simplified model is needed in the power system simulation. For a different research purpose in a different timescale, a different complexity of the model can be used to maximize the accuracy, in the meantime speeding up the simulation. This paper proposes a set of simplified models of the direct-drive permanent magnet synchronous wind power generation system (D-PMSG) and classifies them according to the timescale of the dynamics and the use cases, i.e., faults (transient stability analysis), system contingencies (voltage and frequency stability analysis) and wind speed variations (energy transformation). The accuracy of the proposed simplified models is verified by comparing them with the detailed D-PMSG electromagnetic transient mode in Matlab/Simulink, and their use case of the power system simulation is validated based on the case study of the IEEE 39-bus system considering the above scenarios.
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48

Érdi, B. "On the dynamics of Trojan asteroids." Symposium - International Astronomical Union 172 (1996): 171–76. http://dx.doi.org/10.1017/s0074180900127305.

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The author's theory of Trojan asteroids (Érdi, 1988) is developed further. The motion of the Trojans is considered in the framework of the three-dimensional elliptic restricted three-body problem of the Sun-Jupiter-asteroid system including also the secular changes of Jupiter's orbital eccentricity and the apsidal motion of Jupiter's elliptic orbit. An asymptotic solution is derived, by applying the multiple-timescale method, for the cylindrical coordinates of the asteriods and for the perturbations of the orbital elements. This solution is used for the analysis of the long-time dynamical behaviour of the perihelion and the eccentricity of the Trojans.
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49

Leckron, Kai, Alexander Baral, and Hans Christian Schneider. "Exchange scattering on ultrafast timescales in a ferromagnetic two-sublattice system." Applied Physics Letters 120, no. 10 (March 7, 2022): 102407. http://dx.doi.org/10.1063/5.0080379.

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We investigate ultrafast spin dynamics due to exchange, electron–phonon and Elliott–Yafet spin-flip scattering in a model with a simple band structure and ferromagnetically coupled electronic sublattices (or more generally, subsystems). We show that this incoherent model of electronic dynamics leads to sublattice magnetization changes in opposite directions after ultrashort-pulse excitation. This prominent feature on an ultrafast timescale is related to a transfer of energy and angular momentum between the subsystems due to exchange scattering. Our calculations illustrate a possible incoherent mechanism that works in addition to the coherent optically induced spin transfer mechanism.
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50

Bashmmakh, Bandar J., Xiaoyu Wang, Cynthia J. Jameson, and Sohail Murad. "Understanding Separation Mechanisms of Monoatomic Gases, Such as Kr and Xe, via DD3R Zeolite Membrane Using Molecular Dynamics." Thermo 2, no. 1 (February 23, 2022): 56–73. http://dx.doi.org/10.3390/thermo2010005.

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Noble gas fission byproducts, such as Kr and Xe, are generated within nuclear power reactors are currently being discharged into the atmosphere. This practice has a major economic drawback because of the high value associated with some of these gases. The separations of these gases are economically prohibitive because of the high energy requirement associated with cryogenic distillation. Zeolites, nanoporous materials suitable for gas separation processes, have exhibited high selectivity for such separations. We have used nonequilibrium molecular dynamics (MD) to investigate the separation performance of DD3R framework zeolitic membrane. The effects of pressure, temperature, and pure vs. mixture gas feed conditions are studied in this work to understand and explain, at the molecular level, the mechanisms of these (Kr/Xe) separations. Our studies have shown that the DD3R membrane shows promise for high selectivity ratios of Kr over Xe. MD runs show agreement with experimental trends of the permeation of Kr/Xe pure and mixed gases using DD3R zeolite with high separation factor. Despite the absence of Xe complete permeation through the membrane because of MD timescale limitations, our results are sufficient to describe the mechanisms of these separations.
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