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Journal Articles

Comparison of intermediate-range order in GeO2 glass: Molecular dynamics using machine-learning interatomic potential vs reverse Monte Carlo fitting to experimental data

Kenta Matsutani, Shusuke Kasamatsu, Takeshi Usuki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 204103 (2024)
https://doi.org/10.1063/5.0240087
Published: November 2024
View article titled, Comparison of intermediate-range order in GeO<sub>2</sub> glass: Molecular dynamics using machine-learning interatomic potential vs reverse Monte Carlo fitting to experimental data
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Journal Articles

Microstructural characterization of DEM-based random packings of monodisperse and polydisperse non-convex particles

Zhihong Ma, Mingkun Jia, Jiaping Liu, Wenxiang Xu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184104 (2024)
https://doi.org/10.1063/5.0233933
Published: November 2024
View article titled, Microstructural characterization of DEM-based random packings of monodisperse and polydisperse non-convex particles
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Journal Articles

Difference in structural changes of surfactant aggregates near solid surface under shear flow versus those in the bulk

Fumiya Nemoto, Fumi Takabatake, Norifumi L. Yamada, Shin-ichi Takata, Hideki Seto
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 164902 (2024)
https://doi.org/10.1063/5.0232638
Published: October 2024
View article titled, Difference in structural changes of surfactant aggregates near solid surface under shear flow versus those in the bulk
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Journal Articles

Effect of three-body interaction on structural features of phosphate glasses from molecular dynamics simulations

Navid Marchin, Shingo Urata, Jincheng Du
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 154507 (2024)
https://doi.org/10.1063/5.0225188
Published: October 2024
View article titled, Effect of three-body interaction on structural features of phosphate glasses from molecular dynamics simulations
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Journal Articles

Evidence of short chains in liquid sulfur

Editor’s Pick
Chris J. Benmore, Ganesh Sivaraman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 154502 (2024)
https://doi.org/10.1063/5.0227014
Published: October 2024
View article titled, Evidence of short chains in liquid sulfur
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Journal Articles

Self-diffusion of liquid deuterium hydride and liquid tritium

T. R. Prisk, S. Hanna, R. T. Azuah
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 144502 (2024)
https://doi.org/10.1063/5.0230567
Published: October 2024
View article titled, Self-diffusion of liquid deuterium hydride and liquid tritium
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Journal Articles

Li diffusion in oxygen–chlorine mixed anion borosilicate glasses using a machine-learning simulation

Shingo Urata, Noriyoshi Kayaba
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 134504 (2024)
https://doi.org/10.1063/5.0222015
Published: October 2024
View article titled, Li diffusion in oxygen–chlorine mixed anion borosilicate glasses using a machine-learning simulation
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Journal Articles

Dynamics of side chains in poly(quinoxaline-2,3-diyl)s studied via quasielastic neutron scattering

R. Inoue, Y. Nagata, T. Tominaga, S. Sato, Y. Kawakita, T. Yamawaki, K. Morishima, M. Suginome, M. Sugiyama
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054905 (2024)
https://doi.org/10.1063/5.0215603
Published: August 2024
View article titled, Dynamics of side chains in poly(quinoxaline-2,3-diyl)s studied via quasielastic neutron scattering
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Journal Articles

Unusual dynamics of tetrahedral liquids caused by the competition between dynamic heterogeneity and structural heterogeneity

Shao-Chun Lee, Y Z
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 044502 (2024)
https://doi.org/10.1063/5.0215370
Published: July 2024
View article titled, Unusual dynamics of tetrahedral liquids caused by the competition between dynamic heterogeneity and structural heterogeneity
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Journal Articles

Intermediate scattering function for polymer molecules: An approach based on relaxation mode analysis

Naoyuki Karasawa, Ayori Mitsutake, Hiroshi Takano
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 024902 (2024)
https://doi.org/10.1063/5.0211504
Published: July 2024
View article titled, Intermediate scattering function for polymer molecules: An approach based on relaxation mode analysis
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Journal Articles

Quantum motion of oxygen and hydrogen in water: Atomic and total kinetic energy across melting from neutron scattering measurements

Giovanni Romanelli, Carla Andreani, Alessio Bocedi, Roberto Senesi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 234503 (2024)
https://doi.org/10.1063/5.0211165
Published: June 2024
View article titled, Quantum motion of oxygen and hydrogen in water: Atomic and total kinetic energy across melting from neutron scattering measurements
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Journal Articles

The water bimodal inherent structure and the liquid–liquid transition as proposed by the experimental density data

Francesco Mallamace, Domenico Mallamace
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 184501 (2024)
https://doi.org/10.1063/5.0203540
Published: May 2024
View article titled, The water bimodal inherent structure and the liquid–liquid transition as proposed by the experimental density data
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Journal Articles

Large-cage occupation and quantum dynamics of hydrogen molecules in sII clathrate hydrates

Umbertoluca Ranieri, Leonardo del Rosso, Livia Eleonora Bove, Milva Celli, Daniele Colognesi, Richard Gaal, Thomas C. Hansen, Michael Marek Koza, Lorenzo Ulivi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 164706 (2024)
https://doi.org/10.1063/5.0200867
Published: April 2024
View article titled, Large-cage occupation and quantum dynamics of hydrogen molecules in <em>sII</em> clathrate hydrates
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Journal Articles

Thermophysical properties of H2O and D2O ice Ih with contributions from proton disorder, quenching, relaxation, and extended defects: A model case for solids with quenching and relaxation

W. B. Holzapfel, S. Klotz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 154508 (2024)
https://doi.org/10.1063/5.0203614
Published: April 2024
View article titled, Thermophysical properties of H<sub>2</sub>O and D<sub>2</sub>O ice I<em>h</em> with contributions from proton disorder, quenching, relaxation, and extended defects: A model case for solids with quenching and relaxation
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Journal Articles

Microscopic dynamics of gas molecules confined in porous channel-like ice structure

L. del Rosso, D. Colognesi, A. Donati, S. Rudić, M. Celli
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 154707 (2024)
https://doi.org/10.1063/5.0201961
Published: April 2024
View article titled, Microscopic dynamics of gas molecules confined in porous channel-like ice structure
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