Academic literature on the topic 'Thermodynamic Anomalies -Network Forming Liquids'

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Journal articles on the topic "Thermodynamic Anomalies -Network Forming Liquids"

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Filipczak, Paulina, Marcin Kozanecki, Joanna Szala-Rearick, and Dorota Swiatla-Wojcik. "Microheterogeneity in Liquid Water Associated with Hydrogen-Bond Cooperativity-IR Spectroscopic and MD Simulation Study of Temperature Effect." International Journal of Molecular Sciences 26, no. 11 (2025): 5187. https://doi.org/10.3390/ijms26115187.

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Structural microheterogeneity arising from the cooperative nature of hydrogen bonding is a critical yet often overlooked factor in the mechanistic understanding of physicochemical and biological processes occurring in aqueous environments. MD simulations using a potential that accounts for molecular flexibility and directional interactions revealed inhomogeneity arising from patches of continuously connected, four-bonded molecules embedded within a less ordered, space-filling hydrogen-bond network. The size of these patches follows a statistical distribution that is strongly temperature-depend
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Russo, John, Kenji Akahane, and Hajime Tanaka. "Water-like anomalies as a function of tetrahedrality." Proceedings of the National Academy of Sciences 115, no. 15 (2018): E3333—E3341. http://dx.doi.org/10.1073/pnas.1722339115.

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Tetrahedral interactions describe the behavior of the most abundant and technologically important materials on Earth, such as water, silicon, carbon, germanium, and countless others. Despite their differences, these materials share unique common physical behaviors, such as liquid anomalies, open crystalline structures, and extremely poor glass-forming ability at ambient pressure. To reveal the physical origin of these anomalies and their link to the shape of the phase diagram, we systematically study the properties of the Stillinger–Weber potential as a function of the strength of the tetrahed
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Agrafonov, Yury V., and Ivan S. Petrushin. "Random First Order Transition from a Supercooled Liquid to an Ideal Glass (Review)." Kondensirovannye sredy i mezhfaznye granitsy = Condensed Matter and Interphases 22, no. 3 (2020): 291–302. http://dx.doi.org/10.17308/kcmf.2020.22/2959.

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The random first order transition theory (RFOT) describing the transition from a supercooled liquid to an ideal glass has been actively developed over the last twenty years. This theory is formulated in a way that allows a description of the transition from the initial equilibrium state to the final metastable state without considering any kinetic processes. The RFOT and its applications for real molecular systems (multicomponent liquids with various intermolecular potentials, gel systems, etc.) are widely represented in English-language sources. However, these studies are practically not desc
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Zhou, Huanyi, Pengfei Yu, Xiaoyu Miao, et al. "High-Temperature Liquid–Liquid Phase Transition in Glass-Forming Liquid Pd43Ni20Cu27P10." Materials 16, no. 12 (2023): 4353. http://dx.doi.org/10.3390/ma16124353.

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Liquid–liquid phase transition (LLPT) is a transition from one liquid state to another with the same composition but distinct structural change, which provides an opportunity to explore the relationships between structural transformation and thermodynamic/kinetic anomalies. Herein the abnormal endothermic LLPT in Pd43Ni20Cu27P10 glass-forming liquid was verified and studied by flash differential scanning calorimetry (FDSC) and ab initio molecular dynamics (AIMD) simulations. The results show that the change of the atomic local structure of the atoms around the Cu-P bond leads to the change in
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Mallamace, Francesco, Giuseppe Mensitieri, Domenico Mallamace, Martina Salzano de Luna, and Sow-Hsin Chen. "Some Aspects of the Liquid Water Thermodynamic Behavior: From The Stable to the Deep Supercooled Regime." International Journal of Molecular Sciences 21, no. 19 (2020): 7269. http://dx.doi.org/10.3390/ijms21197269.

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Liquid water is considered to be a peculiar example of glass forming materials because of the possibility of giving rise to amorphous phases with different densities and of the thermodynamic anomalies that characterize its supercooled liquid phase. In the present work, literature data on the density of bulk liquid water are analyzed in a wide temperature-pressure range, also including the glass phases. A careful data analysis, which was performed on different density isobars, made in terms of thermodynamic response functions, like the thermal expansion αP and the specific heat differences CP−C
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Galimzyanov, Bulat N., Maria A. Doronina, and Anatolii V. Mokshin. "Arrhenius Crossover Temperature of Glass-Forming Liquids Predicted by an Artificial Neural Network." Materials 16, no. 3 (2023): 1127. http://dx.doi.org/10.3390/ma16031127.

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The Arrhenius crossover temperature, TA, corresponds to a thermodynamic state wherein the atomistic dynamics of a liquid becomes heterogeneous and cooperative; and the activation barrier of diffusion dynamics becomes temperature-dependent at temperatures below TA. The theoretical estimation of this temperature is difficult for some types of materials, especially silicates and borates. In these materials, self-diffusion as a function of the temperature T is reproduced by the Arrhenius law, where the activation barrier practically independent on the temperature T. The purpose of the present work
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Russo, John, Fabio Leoni, Fausto Martelli, and Francesco Sciortino. "The physics of empty liquids: from patchy particles to water." Reports on Progress in Physics 85, no. 1 (2022): 016601. http://dx.doi.org/10.1088/1361-6633/ac42d9.

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Abstract Empty liquids represent a wide class of materials whose constituents arrange in a random network through reversible bonds. Many key insights on the physical properties of empty liquids have originated almost independently from the study of colloidal patchy particles on one side, and a large body of theoretical and experimental research on water on the other side. Patchy particles represent a family of coarse-grained potentials that allows for a precise control of both the geometric and the energetic aspects of bonding, while water has arguably the most complex phase diagram of any pur
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Mei, Baicheng, Yuxing Zhou, and Kenneth S. Schweizer. "Experimental test of a predicted dynamics–structure–thermodynamics connection in molecularly complex glass-forming liquids." Proceedings of the National Academy of Sciences 118, no. 18 (2021): e2025341118. http://dx.doi.org/10.1073/pnas.2025341118.

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Understanding in a unified manner the generic and chemically specific aspects of activated dynamics in diverse glass-forming liquids over 14 or more decades in time is a grand challenge in condensed matter physics, physical chemistry, and materials science and engineering. Large families of conceptually distinct models have postulated a causal connection with qualitatively different “order parameters” including various measures of structure, free volume, thermodynamic properties, short or intermediate time dynamics, and mechanical properties. Construction of a predictive theory that covers bot
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Xu, Liang, Zhigang Wang, Jian Chen, et al. "Folded network and structural transition in molten tin." Nature Communications 13, no. 1 (2022). http://dx.doi.org/10.1038/s41467-021-27742-2.

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AbstractThe fundamental relationships between the structure and properties of liquids are far from being well understood. For instance, the structural origins of many liquid anomalies still remain unclear, but liquid-liquid transitions (LLT) are believed to hold a key. However, experimental demonstrations of LLTs have been rather challenging. Here, we report experimental and theoretical evidence of a second-order-like LLT in molten tin, one which favors a percolating covalent bond network at high temperatures. The observed structural transition originates from the fluctuating metallic/covalent
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Zhou, Xinjia, Feng Yang, Xiaodong Yang, Lin Ma, and Zhenwei Wu. "Graph-Dynamics correspondence in metallic glass-forming liquids." Communications in Theoretical Physics, March 12, 2025. https://doi.org/10.1088/1572-9494/adbf7c.

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Abstract Theoretical challenges in understanding the nature of glass and the glass transition remain significant open questions in statistical and condensed matter physics. As a prototypical example of complex physical systems, glasses and the vitrification process have been central research topics, consistently attracting broad scientific interest. This focus has driven extensive studies on phenomena such as aging, non-exponential relaxation, dynamic anomalies, glass-forming ability, and the mechanical response of glasses under stress. Recent advances in computational and experimental techniq
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Dissertations / Theses on the topic "Thermodynamic Anomalies -Network Forming Liquids"

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Mondal, Chandana. "Equilibrium and Rheological Properties of Model Network Formers." Thesis, 2019. http://hdl.handle.net/10821/8292.

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This thesis embodies a study of the static and dynamic aspects of network forming liquids in two-dimensions starting from a very simple model of binary mixture of Lennard-Jones type particles to patchy colloids with complex inter-particle interactions. In the rst chapter we provide a general overview of simple and complex colloids which is then followed by a discussion on the various anomalous properties shown by network forming liquids and their computer simulation models focusing mainly on the most common and important network-forming liquid i.e. water. Discussion on the dynamic aspects lik
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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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