Bibliographies thématiques / Polymorphism - Network Forming Liquids

Littérature scientifique sur le sujet « Polymorphism - Network Forming Liquids »

Auteur : Grafiati

Publié le 7 septembre 2023

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Articles de revues sur le sujet "Polymorphism - Network Forming Liquids"

Hernandes, V. F., M. S. Marques et José Rafael Bordin. « Phase classification using neural networks : application to supercooled, polymorphic core-softened mixtures ». Journal of Physics : Condensed Matter 34, n^o 2 (28 octobre 2021) : 024002. http://dx.doi.org/10.1088/1361-648x/ac2f0f.

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Abstract Characterization of phases of soft matter systems is a challenge faced in many physical chemical problems. For polymorphic fluids it is an even greater challenge. Specifically, glass forming fluids, as water, can have, besides solid polymorphism, more than one liquid and glassy phases, and even a liquid–liquid critical point. In this sense, we apply a neural network algorithm to analyze the phase behavior of a mixture of core-softened fluids that interact through the continuous-shouldered well (CSW) potential, which have liquid polymorphism and liquid–liquid critical points, similar to water. We also apply the neural network to mixtures of CSW fluids and core-softened alcohols models. We combine and expand methods based on bond-orientational order parameters to study mixtures, applied to mixtures of hardcore fluids and to supercooled water, to include longer range coordination shells. With this, the trained neural network was able to properly predict the crystalline solid phases, the fluid phases and the amorphous phase for the pure CSW and CSW-alcohols mixtures with high efficiency. More than this, information about the phase populations, obtained from the network approach, can help verify if the phase transition is continuous or discontinuous, and also to interpret how the metastable amorphous region spreads along the stable high density fluid phase. These findings help to understand the behavior of supercooled polymorphic fluids and extend the comprehension of how amphiphilic solutes affect the phases behavior.

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Jin, Yi, Aixi Zhang, Sarah E. Wolf, Shivajee Govind, Alex R. Moore, Mikhail Zhernenkov, Guillaume Freychet, Ahmad Arabi Shamsabadi et Zahra Fakhraai. « Glasses denser than the supercooled liquid ». Proceedings of the National Academy of Sciences 118, n^o 31 (30 juillet 2021) : e2100738118. http://dx.doi.org/10.1073/pnas.2100738118.

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When aged below the glass transition temperature, Tg, the density of a glass cannot exceed that of the metastable supercooled liquid (SCL) state, unless crystals are nucleated. The only exception is when another polyamorphic SCL state exists, with a density higher than that of the ordinary SCL. Experimentally, such polyamorphic states and their corresponding liquid–liquid phase transitions have only been observed in network-forming systems or those with polymorphic crystalline states. In otherwise simple liquids, such phase transitions have not been observed, either in aged or vapor-deposited stable glasses, even near the Kauzmann temperature. Here, we report that the density of thin vapor-deposited films of N,N′-bis(3-methylphenyl)-N,N′-diphenylbenzidine (TPD) can exceed their corresponding SCL density by as much as 3.5% and can even exceed the crystal density under certain deposition conditions. We identify a previously unidentified high-density supercooled liquid (HD-SCL) phase with a liquid–liquid phase transition temperature (TLL) ∼35 K below the nominal glass transition temperature of the ordinary SCL. The HD-SCL state is observed in glasses deposited in the thickness range of 25 to 55 nm, where thin films of the ordinary SCL have exceptionally enhanced surface mobility with large mobility gradients. The enhanced mobility enables vapor-deposited thin films to overcome kinetic barriers for relaxation and access the HD-SCL state. The HD-SCL state is only thermodynamically favored in thin films and transforms rapidly to the ordinary SCL when the vapor deposition is continued to form films with thicknesses more than 60 nm.

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Balyakin, I. A., R. E. Ryltsev et N. M. Chtchelkatchev. « Liquid–Crystal Structure Inheritance in Machine Learning Potentials for Network-Forming Systems ». JETP Letters 117, n^o 5 (mars 2023) : 370–76. http://dx.doi.org/10.1134/s0021364023600234.

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It has been studied whether machine learning interatomic potentials parameterized with only disordered configurations corresponding to liquid can describe the properties of crystalline phases and predict their structure. The study has been performed for a network-forming system SiO2, which has numerous polymorphic phases significantly different in structure and density. Using only high-temperature disordered configurations, a machine learning interatomic potential based on artificial neural networks (DeePMD model) has been parameterized. The potential reproduces well ab initio dependences of the energy on the volume and the vibrational density of states for all considered tetra- and octahedral crystalline phases of SiO2. Furthermore, the combination of the evolutionary algorithm and the developed DeePMD potential has made it possible to reproduce the really observed crystalline structures of SiO2. Such a good liquid–crystal portability of the machine learning interatomic potential opens prospects for the simulation of the structure and properties of new systems for which experimental information on crystalline phases is absent.

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Takéuchi, Yasushi. « Hydrodynamic Scaling and the Intermediate-Range Order in Network-Forming Liquids ». Progress of Theoretical Physics Supplement 178 (2009) : 181–86. http://dx.doi.org/10.1143/ptps.178.181.

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Hong, N. V., N. V. Huy et P. K. Hung. « The structure and dynamic in network forming liquids : molecular dynamic simulation ». International Journal of Computational Materials Science and Surface Engineering 5, n^o 1 (2012) : 55. http://dx.doi.org/10.1504/ijcmsse.2012.049058.

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Yang, Ke, Zhikun Cai, Madhusudan Tyagi, Mikhail Feygenson, Joerg C. Neuefeind, Jeffrey S. Moore et Yang Zhang. « Odd–Even Structural Sensitivity on Dynamics in Network-Forming Ionic Liquids ». Chemistry of Materials 28, n^o 9 (25 avril 2016) : 3227–33. http://dx.doi.org/10.1021/acs.chemmater.6b01429.

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Liu, Mengtan, Ryan D. McGillicuddy, Hung Vuong, Songsheng Tao, Adam H. Slavney, Miguel I. Gonzalez, Simon J. L. Billinge et Jarad A. Mason. « Network-Forming Liquids from Metal–Bis(acetamide) Frameworks with Low Melting Temperatures ». Journal of the American Chemical Society 143, n^o 7 (11 février 2021) : 2801–11. http://dx.doi.org/10.1021/jacs.0c11718.

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Zhu, W., Y. Xia, B. G. Aitken et S. Sen. « Temperature dependent onset of shear thinning in supercooled glass-forming network liquids ». Journal of Chemical Physics 154, n^o 9 (7 mars 2021) : 094507. http://dx.doi.org/10.1063/5.0039798.

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Hong, N. V., N. V. Huy et P. K. Hung. « The correlation between coordination and bond angle distribution in network-forming liquids ». Materials Science-Poland 30, n^o 2 (juin 2012) : 121–30. http://dx.doi.org/10.2478/s13536-012-0019-y.

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Maruyama, Kenji, Hirohisa Endo et Hideoki Hoshino. « Voids and Intermediate-Range Order in Network-Forming Liquids : Rb20Se80 and BiBr3 ». Journal of the Physical Society of Japan 76, n^o 7 (15 juillet 2007) : 074601. http://dx.doi.org/10.1143/jpsj.76.074601.

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Thèses sur le sujet "Polymorphism - Network Forming Liquids"

Sharma, Ruchi. « Computational studies of network-forming liquids : multiple time-scale behavior and water-like anomalies ». Thesis, 2009. http://localhost:8080/iit/handle/2074/3690.

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Witman, Jennifer Elisabeth. « The T-Shaped Anisotropic Molecule Model : A Unique Perspective on the Glass Transition and Gelation in Low Valence, Directional, Network Forming Liquids ». Thesis, 2010. https://thesis.library.caltech.edu/5715/4/04-_Appendices.pdf.

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Glass and gel formers exhibit unusual mechanical characteristics and amorphous phases which are highly dependent on their thermal history. We introduce a lattice model with T-shaped molecules that exhibits glassy and gel-like states without introducing artificial frustration. This system has a large number of degenerate energy minima separated by small barriers leading to a broad, kinetically-explored landscape. It particularly replicates valence-limited materials, which can form self-assembled materials with highly controlled physical properties. Despite its remarkable simplicity, this model reveals some of the fundamental kinetic and thermodynamic properties of the glass transition and of gel formation.

A dearth of low temperature experimental and simulation measurements has inhibited investigation in this field. We overcome this difficulty by using a modified Metropolis Monte Carlo method to quickly provide equilibrium samples. Then kinetic Monte Carlo techniques are used to explore the properties of the equilibrium system, providing a touchstone for the non-equilibrium glassy states.

Fully-dense simulation samples reveal a fragile-to-strong crossover (FSC) near the mean-field (MF) spinodal. At the FSC, the relaxation time returns to Arrhenius behavior with cooling. There is an inflection point in the configurational entropy. This behavior resolves the Kauzmann Paradox which is a result of extrapolation from above the inflection point. In contrast, we find that the configurational entropy remains finite as the temperature goes to zero. We also observe different kinetics as the system is quenched below the FSC, resulting in non-equilibrium, amorphous states with high potential energy persisting for long periods of time. Simulation samples remain at non-equilibrium conditions for observation times exceeding those permitting complete equilibration slightly above the FSC. This suggests the FSC would often be identified as the glass transition without indication that there is true arrest or a diverging length scale. Indeed, our simulations show these samples do equilibrate if sufficient time is allowed. To elucidate the complex, interdependent relation time and length scales at the FSC will require careful consideration of the spatial-dynamic heterogeneity.

Dynamic mean-field simulations at high density and in the solvated regime reveal a rich range of morphological features. They are consistent with simulated and experimental results in colloidal systems. Stability limits of decreasing length scales beneath the phase separation bimodal coincide into a single curve, which terminates at the fully-dense MF spinodal, suggesting that gelation and vitrification are the same phenomena. Our work indicates that gelation is, therefore, a result of phase separation arrested by a glass transition.

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Chapitres de livres sur le sujet "Polymorphism - Network Forming Liquids"

Marcus, Yizhak. « Network Forming Ionic Liquids ». Dans Ionic Liquid Properties, 99–107. Cham : Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-30313-0_4.

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Zhang, Hao, et Jack F. Douglas. « Similarities of the Collective Interfacial Dynamics of Grain Boundaries and Nanoparticles to Glass-Forming Liquids ». Dans Liquid Polymorphism, 519–67. Hoboken, NJ, USA : John Wiley & Sons, Inc., 2013. http://dx.doi.org/10.1002/9781118540350.ch19.

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Yarger, J. L., C. A. Angell, S. S. Borick et G. H. Wolf. « Polyamorphic Transitions in Network-Forming Liquids and Glasses ». Dans ACS Symposium Series, 214–23. Washington, DC : American Chemical Society, 1997. http://dx.doi.org/10.1021/bk-1997-0676.ch016.

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Actes de conférences sur le sujet "Polymorphism - Network Forming Liquids"

Takéuchi, Yasushi. « Can Molecular Dynamics Simulations Trace the Long-Time Relaxations in Network-Glass-Forming Liquids ? » Dans Proceedings of the 12th Asia Pacific Physics Conference (APPC12). Journal of the Physical Society of Japan, 2014. http://dx.doi.org/10.7566/jpscp.1.016007.

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Viola, Ilenia, Roberto Cingolani et Giuseppe Gigli. « A Micro-Fluidic Real-Time Monitoring of the Dynamics of Polymeric Liquids ». Dans ASME 7th Biennial Conference on Engineering Systems Design and Analysis. ASMEDC, 2004. http://dx.doi.org/10.1115/esda2004-58316.

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Manipulating liquid fluids within networks of micro-channels is crucial in the fabrication of micro-fluidic devices for electronic and for medical applications, as well as for the fundamental understanding of the fluid dynamics properties in geometrical confined systems, in which localization phenomena and surface effects can strongly affect the fluid behaviour. A detailed analysis of the fluid dynamics properties is particularly important for glass-forming liquids, polymeric solutions or bio-fluids, which do not behave as Newtonian fluids, due to the the elasticity of the molecules. For these materials the determination of the structural dynamical parameters is not trivial, requiring the solution of a complex many body problem and the introduction of non-linear mechanical parameters. In this work we have provided a micro-fluidic approach to assess the structural rheological parameters of a glass-forming liquid under real operation conditions. The method was applied to a viscoelastic polymeric liquid, polyurethane (PU) adhesive, during its driving flow in a micro-capillary network.

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Ocalan, Murat, John P. Edlebeck et Shane P. Siebenaler. « Acoustic Leak Detection at a Distance : A Key Enabler for Real-Time Pipeline Monitoring With the Internet of Things ». Dans 2016 11th International Pipeline Conference. American Society of Mechanical Engineers, 2016. http://dx.doi.org/10.1115/ipc2016-64405.

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Real-time leak monitoring of pipelines is a need that is growing with the aging of the assets and the rise of the population living in their close proximity. While traditional deployment of external monitoring solutions on legacy assets may require extensive construction and trenching on the pipeline right-of-way, a new class of self-powered and wirelessly communicating devices provides an intriguing alternative. These devices are installed on the right-of-way with no need for mechanical excavation and allow continuous monitoring of a pipeline over long distances. Their low-power requirement makes it possible to operate the monitoring system continuously on battery power and their wireless communication is established through a self-forming network. These attributes make real-time monitoring possible without requiring any wiring to be deployed on the right-of way. The devices take advantage of the pipe’s characteristics that guide the acoustic waves generated by the leak along the pipeline to detect leaks. These characteristics make the detection possible even from a device that is not in close proximity of the leak. Since device spacing is a key parameter in the cost of monitoring with the leak detection system, it is important to understand the parameters that govern the propagation of leak sound on pipelines. Testing was performed for this purpose to validate the ability of these novel acoustic sensors in an outdoor test facility under a variety of leak conditions. This testing evaluated the propagation of acoustic waves emanating from small leaks on a buried pipe. This was achieved by pressurizing the pipeline to different levels of pressure and inducing leaks through various orifice sizes. The acoustic disturbances induced by these leaks were measured by sensors deployed at various stations on the pipe. The results of this testing demonstrated the ability of such an approach to be used for detecting very small disturbances in soil from an offset position caused by leaking liquids.

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