Journal articles: 'Classical scattering dynamics'

1

BRUHN, B., and B. P. KOCH. "CHAOTIC SCATTERING IN CLASSICAL TRIATOMIC MOLECULAR DYNAMICS." International Journal of Bifurcation and Chaos 03, no. 04 (August 1993): 999–1012. http://dx.doi.org/10.1142/s0218127493000829.

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The classical scattering dynamics of two coupled Morse systems is investigated by analytical and numerical methods. If a McGehee type transformation and the Melnikov method are applied to the invariant manifolds of a nonhyperbolic fixed point at infinity, a proof of the appearance of chaotic scattering is obtained. Furthermore, we study the occurrence of hyperbolic and elliptic periodic orbits under perturbation using the subharmonic Melnikov approach. The analytical predictions regarding the range of the scattering function where chaotic scattering appears are compared with numerical results. Moreover, we investigate the threshold for channel transitions and discuss some mechanisms for this transition.

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Marković, Nikola, and Andreas Bäck. "Mixed Quantum−Classical Scattering Dynamics of CF3Br†." Journal of Physical Chemistry A 108, no. 41 (October 2004): 8765–71. http://dx.doi.org/10.1021/jp049138k.

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Schultz, David G., Samuel B. Wainhaus, Luke Hanley, Pascal de Sainte Claire, and William L. Hase. "Classical dynamics simulations of SiMe3+ ion–surface scattering." Journal of Chemical Physics 106, no. 24 (June 22, 1997): 10337–48. http://dx.doi.org/10.1063/1.474069.

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LANDAU, D. P., ALEX BUNKER, and KUN CHEN. "SPIN DYNAMICS SIMULATIONS OF CLASSICAL, THREE-DIMENSIONAL HEISENBERG MAGNETS." International Journal of Modern Physics C 07, no. 03 (June 1996): 401–8. http://dx.doi.org/10.1142/s012918319600034x.

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Spin dynamics simulations have been used to study dynamic critical behavior of classical Heisenberg magnets. The temporal evolutions of the spin configurations were determined numerically from coupled equations of motion by a fourth-order predictor corrector method, with initial spin configurations generated by Monte-Carlo simulations. The neutron scattering function, S (q, ω), was calculated from the space and time displaced spin-spin correlation function and the dynamic critical exponent z was extracted using dynamic finite size scaling theory. For both ferromagnetic and antiferromagnetic models we find good agreement with theoretical predictions and experimental results.

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McCluskey, Andrew R., James Grant, Adam R. Symington, Tim Snow, James Doutch, Benjamin J. Morgan, Stephen C. Parker, and Karen J. Edler. "An introduction to classical molecular dynamics simulation for experimental scattering users." Journal of Applied Crystallography 52, no. 3 (May 7, 2019): 665–68. http://dx.doi.org/10.1107/s1600576719004333.

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Classical molecular dynamics simulations are a common component of multi-modal analyses of scattering measurements, such as small-angle scattering and diffraction. Users of these experimental techniques often have no formal training in the theory and practice of molecular dynamics simulation, leading to the possibility of these simulations being treated as a `black box' analysis technique. This article describes an open educational resource (OER) designed to introduce classical molecular dynamics to users of scattering methods. This resource is available as a series of interactive web pages, which can be easily accessed by students, and as an open-source software repository, which can be freely copied, modified and redistributed by educators. The topics covered in this OER include classical atomistic modelling, parameterizing interatomic potentials, molecular dynamics simulations, typical sources of error and some of the approaches to using simulations in the analysis of scattering data.

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Fejoz, Jacques, Andreas Knauf, and Richard Montgomery. "Classical n-body scattering with long-range potentials." Nonlinearity 34, no. 11 (October 14, 2021): 8017–54. http://dx.doi.org/10.1088/1361-6544/ac288d.

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Abstract We consider the scattering of n classical particles interacting via pair potentials which are assumed to be ‘long-range’, i.e. of order O ( r − α ) as r tends to infinity, for some α > 0. We define and focus on the ‘free region’, the set of states leading to well-defined and well-separated final states at infinity. As a first step, we prove the existence of an explicit, global surface of section for the free region. This surface of section allows us to prove the smoothness of the map sending a point to its final state and to establish a forward conjugacy between the n-body dynamics and free dynamics.

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Bäck, Andreas, and Nikola Marković. "Comparison of classical and quantum dynamics for collinear cluster scattering." Journal of Chemical Physics 122, no. 14 (April 8, 2005): 144711. http://dx.doi.org/10.1063/1.1875072.

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Poppe, D. "Classical dynamics of rotationally inelastic scattering of atoms with molecules." Chemical Physics 111, no. 1 (January 1987): 21–31. http://dx.doi.org/10.1016/0301-0104(87)87004-0.

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Tamura, Hideo. "Semi-classical bounds on scattering cross sections in two dimensional magnetic fields." Nagoya Mathematical Journal 147 (September 1997): 25–61. http://dx.doi.org/10.1017/s0027763000006309.

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AbstractWe prove the uniform boundedness of averaged total cross sections or of quantities related to scattering into cones in the semi-classical limit for scattering by two dimensional magnetic fields. We do not necessarily assume that the energy under consideration is in a non-trapping energy range in the sense of classical dynamics.

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Trugman, S. A. "Complex Classical and Quantum Scattering Dynamics and the Quantum Hall Effect." Physical Review Letters 62, no. 5 (January 30, 1989): 579–82. http://dx.doi.org/10.1103/physrevlett.62.579.

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Luna-Acosta, G. A., G. Orellana-Rivadeneyra, A. Mendoza-Galván, and C. Jung. "Chaotic classical scattering and dynamics in oscillating 1-D potential wells." Chaos, Solitons & Fractals 12, no. 2 (January 2001): 349–63. http://dx.doi.org/10.1016/s0960-0779(99)00184-8.

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Puzari, Panchanan, Biplab Sarkar, and Satrajit Adhikari. "Quantum-classical dynamics of scattering processes in adiabatic and diabatic representations." Journal of Chemical Physics 121, no. 2 (July 8, 2004): 707–21. http://dx.doi.org/10.1063/1.1758700.

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Wang, Liancheng, and Aiping Zhou. "Acoustics velocity of liquid argon at high pressure: A classical molecular dynamics study." Modern Physics Letters B 32, no. 19 (July 9, 2018): 1850219. http://dx.doi.org/10.1142/s0217984918502196.

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The adiabatic sound velocity of liquid argon is calculated by means of classical molecular dynamics simulations via the COMPASS force field, at the temperature of 388 K and the pressure range of 0.5–2.0 GPa. The isothermal sound velocity of liquid argon is obtained from the fluctuations of the supercell volume via Fluctuation Formula. Then, the adiabatic sound velocity is calculated from isothermal sound velocity by the Landau–Placzek ratio derived from the dynamic structure factor of the system. The calculated adiabatic sound velocities of liquid argon are in good agreement with the former Brillouin scattering measurements.

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Kroes, Geert-Jan, and Cristina Díaz. "Quantum and classical dynamics of reactive scattering of H2 from metal surfaces." Chemical Society Reviews 45, no. 13 (2016): 3658–700. http://dx.doi.org/10.1039/c5cs00336a.

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State-of-the-art theoretical models allow nowadays an accurate description of H₂/metal surface systems and phenomena relative to heterogeneous catalysis. Here we review the most relevant ones investigated during the last 10 years.

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Müller, J. H., D. Witthaut, R. le Targat, J. J. Arlt, E. S. Polzik, and A. J. Hilliard. "Semi-classical dynamics of superradiant Rayleigh scattering in a Bose–Einstein condensate." Journal of Modern Optics 63, no. 18 (July 21, 2016): 1886–97. http://dx.doi.org/10.1080/09500340.2016.1207815.

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Chou, Chia-Chun. "Quantum-classical transition of the dissipative wave packet dynamics for barrier scattering." International Journal of Quantum Chemistry 119, no. 4 (October 9, 2018): e25812. http://dx.doi.org/10.1002/qua.25812.

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Arbe, Arantxa, Fernando Alvarez, and Juan Colmenero. "Insight into the Structure and Dynamics of Polymers by Neutron Scattering Combined with Atomistic Molecular Dynamics Simulations." Polymers 12, no. 12 (December 21, 2020): 3067. http://dx.doi.org/10.3390/polym12123067.

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Combining neutron scattering and fully atomistic molecular dynamics simulations allows unraveling structural and dynamical features of polymer melts at different length scales, mainly in the intermolecular and monomeric range. Here we present the methodology developed by us and the results of its application during the last years in a variety of polymers. This methodology is based on two pillars: (i) both techniques cover approximately the same length and time scales and (ii) the classical van Hove formalism allows easily calculating the magnitudes measured by neutron scattering from the simulated atomic trajectories. By direct comparison with experimental results, the simulated cell is validated. Thereafter, the information of the simulations can be exploited, calculating magnitudes that are experimentally inaccessible or extending the parameters range beyond the experimental capabilities. We show how detailed microscopic insight on structural features and dynamical processes of various kinds has been gained in polymeric systems with different degrees of complexity, and how intriguing questions as the collective behavior at intermediate length scales have been faced.

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Wiegmann, P. "Bethe Ansatz and Classical Hirota Equation." International Journal of Modern Physics B 11, no. 01n02 (January 20, 1997): 75–89. http://dx.doi.org/10.1142/s0217979297000101.

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We discuss an interrelation between quantum integrable models and classical soliton equations with discretized time. It appeared that spectral characteristics of quantum integrable systems may be obtained from entirely classical set up. namely, the eigenvalues of the quantum transfer matrix and the scattering S-matrix itself are identified with a certain τ-functions of the discrete Liouville equation. The Bethe ansatz equations are obtained as dynamics of zeros. For comparison we also present the Bethe ansatz equations for elliptic solutions of the classical discrete Sine-Gordon equation. The paper is based on the recent study of classical integrable structures in quantum integrable systems.1

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Méndez-Morales, Trinidad, Jesús Carrete, Julio R. Rodríguez, Óscar Cabeza, Luis J. Gallego, Olga Russina, and Luis M. Varela. "Nanostructure of mixtures of protic ionic liquids and lithium salts: effect of alkyl chain length." Physical Chemistry Chemical Physics 17, no. 7 (2015): 5298–307. http://dx.doi.org/10.1039/c4cp04668d.

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The bulk structure of mixtures of two protic ionic liquids, propylammonium nitrate and butylammonium nitrate, with a salt with a common anion, is analyzed using small angle X-ray scattering and classical molecular dynamics simulations.

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20

Fischer, Birgit, and Volker Abetz. "Determination of thermodynamic and structural quantities of polymers by scattering techniques." Pure and Applied Chemistry 90, no. 6 (June 27, 2018): 955–68. http://dx.doi.org/10.1515/pac-2017-1101.

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AbstractScattering techniques (i.e. light scattering, X-ray scattering, or neutron scattering) are very powerful tools to gain insights into structural and thermodynamic properties of matter which often cannot be obtained by other methods. While classical thermodynamics is independent of length scale or applies for indefinitely long length scale, scattering can disclose thermodynamic properties like the free energy or free enthalpy as functions of length scale. Scattering is caused by density or composition fluctuations, which are functions of the length scale in one- or multicomponent systems. Therefore scattering techniques can give informations about the size, shape and molecular weight of scattering objects, their thermodynamic interactions with a surrounding matrix and their dynamics if correlations of the fluctuations as function of time are investigated (i.e. dynamic light scattering). As scattering techniques are less intuitive in comparison to complementary techniques, i.e. microscopic techniques, the aim of this article is to highlight some relevant relationships with a focus on polymer systems. This may encourage polymer scientists to consider the use of scattering techniques to learn more about the thermodynamics of their systems and/or to gain informations about their structural properties.

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21

Schwartz, Charles. "Tachyon dynamics — for neutrinos?" International Journal of Modern Physics A 33, no. 10 (April 10, 2018): 1850056. http://dx.doi.org/10.1142/s0217751x18500562.

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Following earlier studies that provided a consistent theory of kinematics for tachyons (faster-than-light particles), we here embark on a study of tachyon dynamics, both in classical physics and in the quantum theory. Examining a general scattering process, we come to recognize that the labels given to “in” and “out” states are not Lorentz invariant for tachyons; and this lets us find a sensible interpretation of negative energy states. For statistical mechanics, as well as for scattering problems, we study what should be the proper expression for density of states for tachyons. We review the previous work on quantization of a Dirac field for tachyons and go on to expand earlier considerations of neutrinos as tachyons in the context of cosmology. We stumble into the realization that tachyon neutrinos would contribute to gravitation with the opposite sign compared to tachyon antineutrinos. This leads to the gobsmacking prediction that the Cosmic Neutrino Background, if they are indeed tachyons, might explain both phenomena of Dark Matter and Dark Energy. This theoretical study also makes contact with the anticipated results from the experiments KATRIN and PTOLEMY, which focus on beta decay and neutrino absorption by Tritium.

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Dubois, Alain, and Jan Petter Hansen. "Comparison between quantal and classical scattering dynamics in singly charged ion - atom collisions." Journal of Physics B: Atomic, Molecular and Optical Physics 29, no. 6 (March 28, 1996): L225—L230. http://dx.doi.org/10.1088/0953-4075/29/6/009.

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Kinnersley, A. D., G. R. Darling, and S. Holloway. "A comparison of quantum and classical dynamics of H2 scattering from Cu(111)." Surface Science 377-379 (April 1997): 563–66. http://dx.doi.org/10.1016/s0039-6028(96)01483-5.

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Herdegen, Andrzej. "Infrared Problem vs Gauge Choice: Scattering of Classical Dirac Field." Annales Henri Poincaré 22, S1 (February 5, 2021): 1–55. http://dx.doi.org/10.1007/s00023-020-01015-y.

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AbstractWe consider the Dirac equation for the classical spinor field placed in an external, time-dependent electromagnetic field of the form typical for scattering settings: $$F=F^\mathrm{ret}+F^\mathrm{in}=F^\mathrm{adv}+F^\mathrm{out}$$ F = F ret + F in = F adv + F out , where the current producing $$F^{\mathrm{ret}/\mathrm{adv}}$$ F ret / adv has past and future asymptotes homogeneous of degree $$-3$$ - 3 , and the free fields $$F^{\mathrm{in}/\mathrm{out}}$$ F in / out are radiation fields produced by currents with similar asymptotic behavior. We show the existence of the electromagnetic gauges in which the particle has ‘in’ and ‘out’ asymptotic states approaching free field states, with no long-time corrections of the free dynamics. Using a special Cauchy foliation of the spacetime, we show in this context the existence and asymptotic completeness of the wave operators. Moreover, we define a special ‘evolution picture’ in which the free evolution operator has well-defined limits for $$t\rightarrow \pm \infty $$ t → ± ∞ ; thus the scattering wave operators do not need the free evolution counteraction.

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Lurton, T., J. B. Renard, D. Vignelles, M. Jeannot, R. Akiki, J. L. Mineau, and T. Tonnelier. "Light scattering at small angles by atmospheric irregular particles: modelling and laboratory measurements." Atmospheric Measurement Techniques 7, no. 4 (April 7, 2014): 931–39. http://dx.doi.org/10.5194/amt-7-931-2014.

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Abstract. We have investigated the behaviour of light scattering by particulates of various sizes (0.1 μm to 100 μm) at a small scattering angle (below 20°). It has been previously shown that, for a small angle, the scattered intensities are weakly dependent upon the particulates' composition (Renard et al., 2010). Particles found in the atmosphere exhibit roughness that leads to large discrepancies with the classical Mie solution in terms of scattered intensities in the low angular set-up. This article focuses on building an effective theoretical tool to predict the behaviour of light scattering by real particulates at a small scattering angle. We present both the classical Mie theory and its adaptation to the case of rough particulates with a fairly simple roughness parameterisation. An experimental device was built, corresponding to the angular set-up of interest (low scattering angle and therefore low angular aperture). Measurements are presented that confirm the theoretical results with good agreement. It was found that differences between the classical Mie solution and actual measurements – especially for large particulates – can be attributed to the particulate roughness. It was also found that, in this low angular set-up, saturation of the scattered intensities occurs for relatively small values of the roughness parameter. This confirms the low variability in the scattered intensities observed for atmospheric particulates of different kinds. A direct interest of this study is a broadening of the dynamic range of optical counters: using a small angle of aperture for measurements allows greater dynamics in terms of particle size. Thus it allows a single device to observe a broad range of particle sizes whilst utilising the same electronics.

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Lurton, T., J. B. Renard, D. Vignelles, M. Jeannot, R. Akiki, J. L. Mineau, and T. Tonnelier. "Light scattering at small angles by atmospheric irregular particles: modelling and laboratory measurements." Atmospheric Measurement Techniques Discussions 6, no. 4 (August 21, 2013): 7565–91. http://dx.doi.org/10.5194/amtd-6-7565-2013.

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Abstract. We investigated the behaviour of light scattering by particulates of various sizes (0.1 μm to 100 μm) at a small scattering angle. It was previously shown that for a small angle, the scattered intensities are weakly dependent upon the particulates' nature (Renard et al., 2010). Particles found in the atmosphere exhibit roughness that leads to large discrepancies with the classical Mie solution in terms of scattered intensities in the low angular set-up. This article focuses on building an effective theoretical tool to predict the behaviour of light scattering by real particulates at a small scattering angle. We expose both the classical Mie theory and an adaptation to the case of rough particulates with a fairly simple roughness parametrisation. An experimental device was built, corresponding to the angular set-up of interest (low scattering angle and therefore low angular aperture), and measurements are presented that confirm the theoretical results with a good agreement. It is found that the differences between the classical Mie solution and actual measurements, especially for large particulates, can be attributed to the roughness of particulates. It is also found that, in this low angular set-up, saturation of the scattered intensities occurs for relatively small values of the roughness parameter. This confirms the low variability in the scattered intensities for particulates of different kinds. A direct interest of this study is a broadening of the dynamic range of optical counters: using a small angle of aperture for measurements allows greater dynamics in terms of particle size, and thus enables a single device to observe a broad range of particle sizes whilst utilising the same electronics.

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Choueiri, George, Balachandra Suri, Jack Merrin, Maksym Serbyn, Björn Hof, and Nazmi Burak Budanur. "Crises and chaotic scattering in hydrodynamic pilot-wave experiments." Chaos: An Interdisciplinary Journal of Nonlinear Science 32, no. 9 (September 2022): 093138. http://dx.doi.org/10.1063/5.0102904.

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Theoretical foundations of chaos have been predominantly laid out for finite-dimensional dynamical systems, such as the three-body problem in classical mechanics and the Lorenz model in dissipative systems. In contrast, many real-world chaotic phenomena, e.g., weather, arise in systems with many (formally infinite) degrees of freedom, which limits direct quantitative analysis of such systems using chaos theory. In the present work, we demonstrate that the hydrodynamic pilot-wave systems offer a bridge between low- and high-dimensional chaotic phenomena by allowing for a systematic study of how the former connects to the latter. Specifically, we present experimental results, which show the formation of low-dimensional chaotic attractors upon destabilization of regular dynamics and a final transition to high-dimensional chaos via the merging of distinct chaotic regions through a crisis bifurcation. Moreover, we show that the post-crisis dynamics of the system can be rationalized as consecutive scatterings from the nonattracting chaotic sets with lifetimes following exponential distributions.

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Patra, Kajwal Kumar, Ibrahim Eliah Dawod, Andrew V. Martin, Tamar L. Greaves, Daniel Persson, Carl Caleman, and Nicusor Timneanu. "Ultrafast dynamics and scattering of protic ionic liquids induced by XFEL pulses." Journal of Synchrotron Radiation 28, no. 5 (August 19, 2021): 1296–308. http://dx.doi.org/10.1107/s1600577521007657.

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X-rays are routinely used for structural studies through scattering, and femtosecond X-ray lasers can probe ultrafast dynamics. We aim to capture the femtosecond dynamics of liquid samples using simulations and deconstruct the interplay of ionization and atomic motion within the X-ray laser pulse. This deconstruction is resolution dependent, as ionization influences the low momentum transfers through changes in scattering form factors, while atomic motion has a greater effect at high momentum transfers through loss of coherence. Our methodology uses a combination of classical molecular dynamics and plasma simulation on a protic ionic liquid to quantify the contributions to the scattering signal and how these evolve with time during the X-ray laser pulse. Our method is relevant for studies of organic liquids, biomolecules in solution or any low-Z materials at liquid densities that quickly turn into a plasma while probed with X-rays.

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Kumar, A., T. Krisnanda, P. Arumugam, and T. Paterek. "Nonclassical trajectories in head-on collisions." Quantum 5 (July 19, 2021): 506. http://dx.doi.org/10.22331/q-2021-07-19-506.

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Rutherford scattering is usually described by treating the projectile either classically or as quantum mechanical plane waves. Here we treat them as wave packets and study their head-on collisions with the stationary target nuclei. We simulate the quantum dynamics of this one-dimensional system and study deviations of the average quantum solution from the classical one. These deviations are traced back to the convexity properties of Coulomb potential. Finally, we sketch how these theoretical findings could be tested in experiments looking for the onset of nuclear reactions.

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Colmenero, J., A. J. Moreno, A. Alegría, F. Alvarez, R. Mukhopadhyay, and B. Frick. "Methyl group dynamics in glassy polymers by neutron scattering: from classical to quantum motions." Physica B: Condensed Matter 276-278 (March 2000): 322–25. http://dx.doi.org/10.1016/s0921-4526(99)01524-0.

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Halonen, Robbie J., and Carol E. Jones. "Linear Polarization and the Dynamics of Circumstellar Disks of Classical Be Stars." Proceedings of the International Astronomical Union 9, S307 (June 2014): 377–78. http://dx.doi.org/10.1017/s1743921314007157.

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AbstractThe intrinsic linearly polarized light arising from electron scattering of stellar radiation in a non-spherically symmetric distribution of gas is a characterizing feature of classical Be stars. The distinct polarimetric signature provides a mean for directly probing the physical and geometric properties of the gaseous material enveloping these rapidly-rotating massive stars. Using a Monte Carlo radiative transfer computation and a self-consistent radiative equilibrium solution for the circumstellar gas, we explore the role of this observable signature in investigating the dynamical nature of classical Be star disks. In particular, we focus on the potential for using linearly polarized light to develop diagnostics of mass-loss events and to trace the evolution of the gas in a circumstellar disk. An informed context for interpreting the observed linear polarization signature can play an important role in identifying the physical process(es) which govern the formation and dissipation of the gaseous disks surrounding classical Be stars.

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Boucher, R. F., and E. E. Kitsios. "Simulation of Fluid Network Dynamics by Transmission Line Modelling." Proceedings of the Institution of Mechanical Engineers, Part C: Journal of Mechanical Engineering Science 200, no. 1 (January 1986): 21–29. http://dx.doi.org/10.1243/pime_proc_1986_200_090_02.

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The classical solution to the acoustic wave equation reveals decoupled left- and right-going waves carrying pressure and flow. Using a variant of these waves representing power, it is shown that such decoupled waves permit fluid transmission lines in circuits to be modelled simply as pure time delays. It is also demonstrated that lumped inertance and capacitance may be modelled as transmission line stubs. Thus all dynamic elements in a circuit are represented as pure time delays and the only computations required are of wave scattering at junctions. Linear resistance is most easily admitted, especially if it is concentrated at the junctions. Computations on simple circuits are presented and shown to compare favourably with classical ‘lumped’ analyses. The significance of various approximations made is discussed. The method may be applied to fluid circuits of arbitrary size and complexity, and to circuits of other wave-propagating elements.

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Porion, Patrice, Ali Asaad, Thomas Dabat, Baptiste Dazas, Alfred Delville, Eric Ferrage, Fabien Hubert, et al. "Water and Ion Dynamics in Confined Media: A Multi-Scale Study of the Clay/Water Interface." Colloids and Interfaces 5, no. 2 (June 15, 2021): 34. http://dx.doi.org/10.3390/colloids5020034.

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This review details a large panel of experimental studies (Inelastic Neutron Scattering, Quasi-Elastic Neutron Scattering, Nuclear Magnetic Resonance relaxometry, Pulsed-Gradient Spin-Echo attenuation, Nuclear Magnetic Resonance Imaging, macroscopic diffusion experiments) used recently to probe, over a large distribution of characteristic times (from pico-second up to days), the dynamical properties of water molecules and neutralizing cations diffusing within clay/water interfacial media. The purpose of this review is not to describe these various experimental methods in detail but, rather, to investigate the specific dynamical information obtained by each of them concerning these clay/water interfacial media. In addition, this review also illustrates the various numerical methods (quantum Density Functional Theory, classical Molecular Dynamics, Brownian Dynamics, macroscopic differential equations) used to interpret these various experimental data by analyzing the corresponding multi-scale dynamical processes. The purpose of this multi-scale study is to perform a bottom-up analysis of the dynamical properties of confined ions and water molecules, by using complementary experimental and numerical studies covering a broad range of diffusion times (between pico-seconds up to days) and corresponding diffusion lengths (between Angstroms and centimeters). In the context of such a bottom-up approach, the numerical modeling of the dynamical properties of the diffusing probes is based on experimental or numerical investigations performed on a smaller scale, thus avoiding the use of empirical or fitted parameters.

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Pal, Antara, Vincent A. Martinez, Thiago H. Ito, Jochen Arlt, Jérôme J. Crassous, Wilson C. K. Poon, and Peter Schurtenberger. "Anisotropic dynamics and kinetic arrest of dense colloidal ellipsoids in the presence of an external field studied by differential dynamic microscopy." Science Advances 6, no. 3 (January 2020): eaaw9733. http://dx.doi.org/10.1126/sciadv.aaw9733.

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Anisotropic dynamics on the colloidal length scale is ubiquitous in nature. Of particular interest is the dynamics of systems approaching a kinetically arrested state. The failure of classical techniques for investigating the dynamics of highly turbid suspensions has contributed toward the limited experimental information available up until now. Exploiting the recent developments in the technique of differential dynamic microscopy (DDM), we report the first experimental study of the anisotropic collective dynamics of colloidal ellipsoids with a magnetic hematite core over a wide concentration range approaching kinetic arrest. In addition, we have investigated the effect of an external magnetic field on the resulting anisotropic collective diffusion. We combine DDM with small-angle x-ray scattering and rheological measurements to locate the glass transition and to relate the collective short- and long-time diffusion coefficients to the structural correlations and the evolution of the zero shear viscosity as the system approaches an arrested state.

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Vakakis, Alexander F. "Passive nonlinear targeted energy transfer." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 376, no. 2127 (July 23, 2018): 20170132. http://dx.doi.org/10.1098/rsta.2017.0132.

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Nonlinearity in dynamics and acoustics may be viewed as scattering of energy across frequencies/wavenumbers. This is in contrast with linear systems when no such scattering exists. Motivated by irreversible large-to-small-scale energy transfers in turbulent flows, passive targeted energy transfers (TET) in mechanical and structural systems incorporating intentional strong nonlinearities are considered. Transient or permanent resonance captures are basic mechanisms for inducing TET in such systems, as well as nonlinear energy scattering across scales caused by strongly nonlinear resonance interactions. Certain theoretical concepts are reviewed, and some TET applications are discussed. Specifically, it is shown that the addition of strongly nonlinear local attachments in an otherwise linear dynamical system may induce energy scattering across scales and ‘redistribution' of input energy from large to small scales in the linear modal space, in similarity to energy cascades that occur in turbulent flows. Such effects may be intentionally induced in the design stage and may lead to improved performance, e.g. it terms of vibration and shock isolation or energy harvesting. In addition, a simple mechanical analogue in the form of a nonlinear planar chain of particles composed of linear stiffness elements but exhibiting strong nonlinearity due to kinematic and geometric effects is discussed, exhibiting similar energy scattering across scales in its acoustics. These results demonstrate the efficacy of intentional utilization of strong nonlinearity in design to induce predictable and controlled intense multi-scale energy transfers in the dynamics and acoustics of a broad class of systems and structures, thus achieving performance objectives that would be not possible in classical linear settings. This article is part of the theme issue ‘Nonlinear energy transfer in dynamical and acoustical systems’.

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Anzini, Pietro, Daniele Redoglio, Mattia Rocco, Norberto Masciocchi, and Fabio Ferri. "Light Scattering and Turbidimetry Techniques for the Characterization of Nanoparticles and Nanostructured Networks." Nanomaterials 12, no. 13 (June 28, 2022): 2214. http://dx.doi.org/10.3390/nano12132214.

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Light scattering and turbidimetry techniques are classical tools for characterizing the dynamics and structure of single nanoparticles or nanostructured networks. They work by analyzing, as a function of time (Dynamic Light Scattering, DLS) or angles (Static Light Scattering, SLS), the light scattered by a sample, or measuring, as a function of the wavelength, the intensity scattered over the entire solid angle when the sample is illuminated with white light (Multi Wavelength Turbidimetry, MWT). Light scattering methods probe different length scales, in the ranges of ~5–500 nm (DLS), or ~0.1–5 μm (Wide Angle SLS), or ~1–100 μm (Low Angle SLS), and some of them can be operated in a time-resolved mode, with the possibility of characterizing not only stationary, but also aggregating, polymerizing, or self-assembling samples. Thus, the combined use of these techniques represents a powerful approach for studying systems characterized by very different length scales. In this work, we will review some typical applications of these methods, ranging from the field of colloidal fractal aggregation to the polymerization of biologic networks made of randomly entangled nanosized fibers. We will also discuss the opportunity of combining together different scattering techniques, emphasizing the advantages of a global analysis with respect to single-methods data processing.

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Belchior, J. C., J. P. Braga, and N. HT Lemes. "Classical analysis of intermolecular potentials for ArCO2 rotational collisions." Canadian Journal of Chemistry 79, no. 2 (February 1, 2001): 211–20. http://dx.doi.org/10.1139/v00-165.

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Classical trajectory calculations have been performed for four potential energy functions to describe ArCO2 collisions. A comparison is given between classical cross sections calculated using the two most recent potential surfaces and two older intermolecular potential surfaces based on the electron gas model. The two-dimensional atom ellipsoid model has also been applied for the study of multiple collisions. The model was able to predict such a phenomenon in agreement with quantum scattering results previously published for an ab initio potential surface in the region of very low collision energy. On the other hand, the two older potentials showed multiple collision effects at very high energies. The comparison of the cross sections showed some deviations from the experimental data. By introducing two parameters, a modified surface is proposed by changing the most recent intermolecular potential. In this case the agreement with experimental measurements and theoretical scattering cross sections was considerably improved. It is concluded that global potential surfaces for describing ArCO2 interaction are not well established. To achieve the requirement of reproducing all properties of this system, the present work suggests that one needs further experimental and theoretical investigations. Key words: classical trajectories, dynamics, cross sections, ArCO2 collisions, potentials.

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Kluczyk-Korch, Katarzyna, Lucjan Jacak, Witold Aleksander Jacak, and Christin David. "Mode Splitting Induced by Mesoscopic Electron Dynamics in Strongly Coupled Metal Nanoparticles on Dielectric Substrates." Nanomaterials 9, no. 9 (August 27, 2019): 1206. http://dx.doi.org/10.3390/nano9091206.

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We study strong optical coupling of metal nanoparticle arrays with dielectric substrates. Based on the Fermi Golden Rule, the particle–substrate coupling is derived in terms of the photon absorption probability assuming a local dipole field. An increase in photocurrent gain is achieved through the optical coupling. In addition, we describe light-induced, mesoscopic electron dynamics via the nonlocal hydrodynamic theory of charges. At small nanoparticle size (<20 nm), the impact of this type of spatial dispersion becomes sizable. Both absorption and scattering cross sections of the nanoparticle are significantly increased through the contribution of additional nonlocal modes. We observe a splitting of local optical modes spanning several tenths of nanometers. This is a signature of semi-classical, strong optical coupling via the dynamic Stark effect, known as Autler–Townes splitting. The photocurrent generated in this description is increased by up to 2%, which agrees better with recent experiments than compared to identical classical setups with up to 6%. Both, the expressions derived for the particle–substrate coupling and the additional hydrodynamic equation for electrons are integrated into COMSOL for our simulations.

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SANCHEZ, NORMA G. "CLASSICAL AND QUANTUM STRINGS IN PLANE WAVES, SHOCK WAVES AND SPACE–TIME SINGULARITIES: SYNTHESIS AND NEW RESULTS." International Journal of Modern Physics A 18, no. 26 (October 20, 2003): 4797–809. http://dx.doi.org/10.1142/s0217751x03015787.

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Key issues and essential features of classical and quantum strings in gravitational plane waves, shock waves and space–time singularities are synthetically understood. This includes the string mass and mode number excitations, energy–momentum tensor, scattering amplitudes, vacuum polarization and wave-string polarization effect. The role of the real pole singularities characteristic of the tree level string spectrum (real mass resonances) and that of the space–time singularities is clearly exhibited. This throws light on the issue of singularities in string theory which can be thus classified and fully physically characterized in two different sets: strong singularities (poles of order ≥ 2, and black holes) where the string motion is collective and nonoscillating in time, outgoing states and scattering sector do not appear, the string does not cross the singularities; and weak singularities (poles of order < 2, (Dirac δ belongs to this class) and conic/orbifold singularities) where the whole string motion is oscillatory in time, outgoing and scattering states exist, and the string crosses the singularities. Common features of strings in singular wave backgrounds and in inflationary backgrounds are explicitly exhibited. The string dynamics and the scattering/excitation through the singularities (whatever their kind: strong or weak) is fully physically consistent and meaningful.

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Pham, Tony, Katherine A. Forrest, Brian Space, and Juergen Eckert. "Dynamics of H2 adsorbed in porous materials as revealed by computational analysis of inelastic neutron scattering spectra." Physical Chemistry Chemical Physics 18, no. 26 (2016): 17141–58. http://dx.doi.org/10.1039/c6cp01863g.

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This perspective article reviews the different types of quantum and classical mechanical methods that have been implemented to interpret the INS spectra for H₂ adsorbed in porous materials.

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Муратов, Т. Т. "Эффект компенсации роста времени жизни носителей заряда в полупроводниках в магнитном поле." Физика и техника полупроводников 56, no. 11 (2022): 1055. http://dx.doi.org/10.21883/ftp.2022.11.54255.4350.

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The condition of regulation of increasing of carrier lifetime by recombination processes in semiconductors at low temperatures (1-10) K and classical "strong" magnetic fields (300-30000) Gs are analyzed. The values of carrier concentrations (10^10-10^14) cm^-3 correspond to conditions of manifestation as cascade as resonant capture. It is indicated on necessarily to take into account of scattering of electrons on acoustic phonons along with electron-electron collisions, by it cascade capture on cuolomb centers. As showed (on the basis of concrete estimates) namely scattering on acoustic phonons at cascade capture, stabilities of lifetime and controls of dynamics it increases in the presence of "strong" magnetic field.

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Espinosa-Garcia, Joaquin, Cipriano Rangel, Moises Garcia-Chamorro, and Jose C. Corchado. "Quasi-Classical Trajectory Study of the CN + NH3 Reaction Based on a Global Potential Energy Surface." Molecules 26, no. 4 (February 13, 2021): 994. http://dx.doi.org/10.3390/molecules26040994.

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Based on a combination of valence-bond and molecular mechanics functions which were fitted to high-level ab initio calculations, we constructed an analytical full-dimensional potential energy surface, named PES-2020, for the hydrogen abstraction title reaction for the first time. This surface is symmetrical with respect to the permutation of the three hydrogens in ammonia, it presents numerical gradients and it improves the description presented by previous theoretical studies. In order to analyze its quality and accuracy, stringent tests were performed, exhaustive kinetics and dynamics studies were carried out using quasi-classical trajectory calculations, and the results were compared with the available experimental evidence. Firstly, the properties (geometry, vibrational frequency and energy) of all stationary points were found to reasonably reproduce the ab initio information used as input; due to the complicated topology with deep wells in the entrance and exit channels and a “submerged” transition state, the description of the intermediate complexes was poorer, although it was adequate to reasonably simulate the kinetics and dynamics of the title reaction. Secondly, in the kinetics study, the rate constants simulated the experimental data in the wide temperature range of 25–700 K, improving the description presented by previous theoretical studies. In addition, while previous studies failed in the description of the kinetic isotope effects, our results reproduced the experimental information. Finally, in the dynamics study, we analyzed the role of the vibrational and rotational excitation of the CN(v,j) reactant and product angular scattering distribution. We found that vibrational excitation by one quantum slightly increased reactivity, thus reproducing the only experimental measurement, while rotational excitation strongly decreased reactivity. The scattering distribution presented a forward-backward shape, associated with the presence of deep wells along the reaction path. These last two findings await experimental confirmation.

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Ren, Guan-Qing, Ai-Ping Fu, Shu-Ping Yuan, and Tian-Shu Chu. "The dynamics of the Br + HgBr (v = 0, j = 0) → Br2 + Hg reaction based on quasi-classical trajectory calculations." Canadian Journal of Physics 96, no. 8 (August 2018): 926–32. http://dx.doi.org/10.1139/cjp-2017-0753.

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To investigate the dynamics mechanism of the Br + HgBr → Br2 + Hg reaction, the quasi-classical trajectory calculations are performed on Balabanov’s potential energy surface (PES) of ground electronic state. Both the scalar and vector properties are investigated to recognize the dynamics of the title reaction. Reaction probability for the total angular momentum quantum number J = 0 is determined at the collision energies (denoted as Ec) in a range of 1–25 kcal/mol, and the product vibrational distributions are given and compared between Ec = 20 and 40 kcal/mol. Other calculation values characterizing product polarizations including polarization-dependent differential cross sections (PDDCSs), distributions of P(θr), P([Formula: see text]), and P(θr, [Formula: see text]), are all discussed and compared between the two different collision energies in detail to analyze the alignment and orientation characteristics. It is revealed that the products prefer forward scattering and the PDDCSs are anisotropic in the whole range of the scattering angle. The product rotational angular momentum j′ shows a tendency to align perpendicular to the reagent relative velocity k. In fact, the product polarization of the title reaction is weak at both collision energies. In terms of horizontal comparison, the alignment is slightly stronger but the orientation is even less remarkable at higher collision energy.

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Alicki, Robert. "Quantum Features of Macroscopic Fields: Entropy and Dynamics." Entropy 21, no. 7 (July 18, 2019): 705. http://dx.doi.org/10.3390/e21070705.

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Macroscopic fields such as electromagnetic, magnetohydrodynamic, acoustic or gravitational waves are usually described by classical wave equations with possible additional damping terms and coherent sources. The aim of this paper is to develop a complete macroscopic formalism including random/thermal sources, dissipation and random scattering of waves by environment. The proposed reduced state of the field combines averaged field with the two-point correlation function called single-particle density matrix. The evolution equation for the reduced state of the field is obtained by reduction of the generalized quasi-free dynamical semigroups describing irreversible evolution of bosonic quantum field and the definition of entropy for the reduced state of the field follows from the von Neumann entropy of quantum field states. The presented formalism can be applied, for example, to superradiance phenomena and allows unifying the Mueller and Jones calculi in polarization optics.

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Owocki, Stanley P., and Kenneth G. Gayley. "Dynamics and variability of winds from single Wolf-Rayet stars." Symposium - International Astronomical Union 193 (1999): 157–67. http://dx.doi.org/10.1017/s0074180900205263.

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We review the dynamics of winds from single Wolf-Rayet stars, with emphasis on the following specific points: (a)The classical “momentum problem” (to explain the large inferred ratio of wind to radiative momentum, η Mv∞/(L/c) ≫ 1) is in principle readily solved through multiple scattering of radiation by an opacity that is sufficiently “gray” in its spectral distribution. In this case, one simply obtains η ≃ τ, where τ is the wind optical depth;(b)Lines with a Poisson spectral distribution yield an “effectively gray” cumulative opacity, with multi-line scattering occuring when the velocity separation between thick lines Δv is less than the wind terminal speed v∞. In this case, one obtains η ≃ v∞/Δv;(c)However, realistic line lists are not gray, and leakage through gaps in the line spectral distribution tends to limit the effective scattering to η ≲ 1;(d)In WR winds, ionization stratification helps spread line-bunches and so fill in gaps, allowing for more effective global trapping of radiation, and thus η > 1;(e)However, photon thermalization can reduce the local effectiveness of line-driving near the stellar core, making it difficult for radiation alone to initiate the wind;(f)The relative complexity of WR wind initiation may be associated with the extensive turbulent structure inferred from observed variabililty in WR wind emission lines;(g)Overall, the understanding of WR winds is perhaps best viewed as an “opacity problem”, i.e., identifying the enhanced opacity that can adequately block the radiation flux throughout the wind, and thus drive a WR mass loss that is much greater than from OB stars of comparable luminosity.

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Nicolaï, Béatrice, Gordon J. Kearley, Alain Cousson, Werner Paulus, François Fillaux, Fabien Gentner, Ludger Schröder, and David Watkin. "Structure of manganese diacetate tetrahydrate and low-temperature methyl-group dynamics." Acta Crystallographica Section B Structural Science 57, no. 1 (February 1, 2001): 36–44. http://dx.doi.org/10.1107/s0108768100014695.

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We have determined the crystal structure of manganese(II) diacetate tetrahydrate at 300 and 14 K by single-crystal neutron diffraction. Proton density distributions for each of the three crystallographically distinct methyl groups have been calculated by Fourier difference. At room temperature the observed densities are those of quasi-free rotors. At low temperature rather well localized protons are observed. Inelastic neutron scattering measurements performed with single crystals allow us to assign each of the three tunnelling lines to a particular crystal site. Classical molecular dynamics simulations give density distributions in qualitative agreement with the observations. With quantum mechanics proton distributions can be represented with rotational wavefunctions convoluted with static distributions of librational coordinates. The effective rotational potentials are temperature dependent.

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CARLES, RÉMI. "LINEAR VS. NONLINEAR EFFECTS FOR NONLINEAR SCHRÖDINGER EQUATIONS WITH POTENTIAL." Communications in Contemporary Mathematics 07, no. 04 (August 2005): 483–508. http://dx.doi.org/10.1142/s0219199705001829.

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We review some recent results on nonlinear Schrödinger equations with potential, with emphasis on the case where the potential is a second order polynomial, for which the interaction between the linear dynamics caused by the potential, and the nonlinear effects, can be described quite precisely. This includes semi-classical régimes, as well as finite time blow-up and scattering issues. We present the tools used for these problems, as well as their limitations, and outline the arguments of the proofs.

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Doschoris, Michael, and Panayiotis Vafeas. "Connection Formulae between Ellipsoidal and Spherical Harmonics with Applications to Fluid Dynamics and Electromagnetic Scattering." Advances in Mathematical Physics 2015 (2015): 1–12. http://dx.doi.org/10.1155/2015/572458.

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The environment of the ellipsoidal system, significantly more complex than the spherical one, provides the necessary settings for tackling boundary value problems in anisotropic space. However, the theory of Lamé functions and ellipsoidal harmonics affiliated with the ellipsoidal system is rather complicated. A turning point would reside in the existence of expressions interlacing these two different systems. Still, there is no simple way, if at all, to bridge the gap. The present paper addresses this issue. We provide explicit formulas of specific ellipsoidal harmonics expressed in terms of their counterparts in the classical spherical system. These expressions are then put into practice in the framework of physical applications.

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Chatzidimitriou-Dreismann, C. Aris. "Maxwell’s Demon Observing Creation of a Molecular Vibration." Zeitschrift für Naturforschung A 69, no. 7 (July 1, 2014): 287–96. http://dx.doi.org/10.5560/zna.2014-0005.

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Quantum correlations and associated quantum information concepts (e. g. quantum discord, entanglement, quantum Maxwell’s demon) provide novel insights in various quantum-information processing tasks, quantum-thermodynamics processes, open-system dynamics, quantum molecular dynamics, and general many-body physics. We investigate a new effect of correlations accompanying collision of two quantum systems A and B, the latter being part of a larger (interacting) system B+D. In contrast to the usual case of a classical ‘environment’ or ‘demon’ (which can have only classical correlations with A+B during and after the collision), the quantum case exhibits striking new features. Here, in the frame of incoherent inelastic neutron scattering (INS) and vibrational dynamics of molecules, we report experimental evidence of a new phenomenon: quantum deficit of momentum transfer in an elementary neutron-molecule collision, in particular, in INS from single H2O molecules confined in channels with sub-nanometer diameter. The INS findings are in clear contrast to conventional theoretical expectations, but are naturally (albeit qualitative) interpreted in the frame of modern theory of quantumness of correlations, thus also proposing a new operational meaning of quantum discord and related measures.

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Leal, Luiz, Vaibhav Jaiswal, and Alexander I. Kolesnikov. "High-resolution neutron time-of-flight measurements for light water at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory." EPJ Web of Conferences 239 (2020): 14005. http://dx.doi.org/10.1051/epjconf/202023914005.

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Series of light water inelastic neutron scattering experiments have been made at the Oak Ridge National Laboratory (ORNL), Spallation Neutron Source (SNS) covering temperatures ranging from 295 K to 600 K and pressures of 1 bar and 150 bar. The temperatures and pressures ranges correspond to that of pressurized light water reactors. The inelastic scattering measurements will help the development of light water thermal scattering kernels, also known as S (α,β) thermal scattering law (TSL), in a consistent fashion given the amount and the quality of the measured data. Light water thermal scattering evaluations available in existing nuclear data libraries have certain limitations and pitfalls. This paper introduces the state of the art of the light water thermal scattering cross-section data not only for room temperature but as well as for reactor operating temperatures, i.e. 550 - 600 K. During the past few years there has been a renewed interest in re-investigating the existing TSL models and utilize the recent experimental data or perform molecular dynamics simulations. It should be pointed out that no single TSL evaluation is based entirely on experimental data and one has to rely on TSL models or a combination of both. New TOF measurement of light water at the SNS, with a detailed description of the experimental setup, measurement conditions, and the associated foreseen results is presented in this paper. The analysis of the experimental data would help in validating the existing approach based on old experimental data or based on molecular dynamic simulations using classical water models, knowledge of which is very important to generate TSL libraries at reactor operating conditions.

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Journal articles on the topic 'Classical scattering dynamics'

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