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Journal Articles

A simulation-based comparative study on the reaction-controlled terminal relaxation of associative and dissociative CANs using a mesoscopic coarse-grained single-chain model

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Tongfei Wu, Anning Cen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 174904 (2025)
https://doi.org/10.1063/5.0256934
Published: May 2025
View articletitled, A simulation-based comparative study on the reaction-controlled terminal relaxation of associative and dissociative CANs using a mesoscopic coarse-grained single-chain model
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Journal Articles

A bilinear model for the elastic response of hydrated lipid bilayers under normal pressure difference

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A. Farhangian, L. Cowley, Y. Dubief
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 115102 (2025)
https://doi.org/10.1063/5.0226774
Published: March 2025
View articletitled, A bilinear model for the elastic response of hydrated lipid bilayers under normal pressure difference
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Journal Articles

Analysis of macroscopic cracks in triple cation perovskite films fabricated by the anisole antisolvent method

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Zihong Cai, Yafei Wang, Zuchong Zhao, Jiacai Liao, Kai Ma, Junyu Lin, Zecheng Diao, Si Ling, Yuanhang Ren, Weiwei Xing, Gongbin Tang, Ji Ran, Zhongwei Liang, Jianhui Zhang, Tao Zou, Fan Zhang, Meicong Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 114704 (2025)
https://doi.org/10.1063/5.0254854
Published: March 2025
View articletitled, Analysis of macroscopic cracks in triple cation perovskite films fabricated by the anisole antisolvent method
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Journal Articles

Chiral transfers and chiral switching in bilayer of vanadyl phthalocyanine

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Daxiao Yang, Tingting Zhang, Min-Long Tao, Kai Sun, Jiyong Yang, Gang Yao, Jun-Zhong Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 094302 (2025)
https://doi.org/10.1063/5.0254360
Published: March 2025
View articletitled, Chiral transfers and chiral switching in bilayer of vanadyl phthalocyanine
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Journal Articles

Exploring the equilibrium and non-equilibrium properties of a cooperative trinuclear spin-crossover chain: The role of elastic frustration

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Mamadou Ndiaye, Kamel Boukheddaden
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 034108 (2025)
https://doi.org/10.1063/5.0251758
Published: January 2025
View articletitled, Exploring the equilibrium and non-equilibrium properties of a cooperative trinuclear spin-crossover chain: The role of elastic frustration
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Journal Articles

Unusual salt effects on the time-dependent behavior of charge and shape anisotropic hectorite clay gels: Role of electric double layer (EDL) repulsive force

Editor’s PickOpen Access
Yee-Kwong Leong, Peta Clode
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 224906 (2024)
https://doi.org/10.1063/5.0241130
Published: December 2024
View articletitled, Unusual salt effects on the time-dependent behavior of charge and shape anisotropic hectorite clay gels: Role of electric double layer (EDL) repulsive force
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Journal Articles

Erratum: “Stress auto-correlation tensor in glass-forming isothermal fluids: From viscous to elastic response” [J. Chem. Phys. 149, 084502 (2018)]

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M. Maier, A. Zippelius, M. Fuchs
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 199901 (2024)
https://doi.org/10.1063/5.0245831
Published: November 2024
View articletitled, Erratum: “Stress auto-correlation tensor in glass-forming isothermal fluids: From viscous to elastic response” [J. Chem. Phys. 149, 084502 (2018)]
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Journal Articles

Analysis of differential scanning calorimetry data for aged plutonium

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Vincent P. Chiravalle
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 164703 (2024)
https://doi.org/10.1063/5.0234018
Published: October 2024
View articletitled, Analysis of differential scanning calorimetry data for aged plutonium
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Journal Articles

Effect of current collector on the coupled electro-chemo-mechanical performance of graphite electrodes in LiBs

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Xiaolin Li, Jiahui Liu, Honghui Gu, Hainan Jiang, Linlin Song, Yaolong He, Dawei Li
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 154710 (2024)
https://doi.org/10.1063/5.0233210
Published: October 2024
View articletitled, Effect of current collector on the coupled electro-chemo-mechanical performance of graphite electrodes in LiBs
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Journal Articles

Influence of phospholipid head and tail molecular structures on cell membrane mechanical response under tension

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Anh T. N. Vo, Michael A. Murphy, Raj K. Prabhu, Tonya W. Stone
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 085103 (2024)
https://doi.org/10.1063/5.0214893
Published: August 2024
View articletitled, Influence of phospholipid head and tail molecular structures on cell membrane mechanical response under tension
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Includes: Supplementary data
Journal Articles

The effect of chemical doping on the lithiation processes of the crystalline Si anode ‒ A first-principles study

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Han-Hsin Chiang, Li-Yi Pan, Chin-Lung Kuo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 084702 (2024)
https://doi.org/10.1063/5.0221795
Published: August 2024
View articletitled, The effect of chemical doping on the lithiation processes of the crystalline Si anode ‒ A first-principles study
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Journal Articles

Effects of temperature and CO2 concentration on the early stage nucleation of calcium carbonate by reactive molecular dynamics simulations

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Ling Qin, Junyi Yang, Jiuwen Bao, Gaurav Sant, Sheng Wang, Peng Zhang, Xiaojian Gao, Hui Wang, Qi Yu, Ditao Niu, Mathieu Bauchy
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 234501 (2024)
https://doi.org/10.1063/5.0213151
Published: June 2024
View articletitled, Effects of temperature and CO2 concentration on the early stage nucleation of calcium carbonate by reactive molecular dynamics simulations
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Journal Articles

Revealing the reconstruction mechanism of AgPd nanoalloys under fluorination based on a multiscale deep learning potential

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Longfei Guo, Shuang Shan, Xiaoqing Liu, Wanxuan Zhang, Peng Xu, Fanzhe Ma, Zhen Li, Chongyang Wang, Junpeng Wang, Fuyi Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 174313 (2024)
https://doi.org/10.1063/5.0205616
Published: May 2024
View articletitled, Revealing the reconstruction mechanism of AgPd nanoalloys under fluorination based on a multiscale deep learning potential
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Includes: Supplementary data
Journal Articles

Effect of ion distribution on stress relaxation in polyelectrolyte complex gels

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Alexey A. Gavrilov, Elena Yu. Kramarenko
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 114901 (2024)
https://doi.org/10.1063/5.0198332
Published: March 2024
View articletitled, Effect of ion distribution on stress relaxation in polyelectrolyte complex gels
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Includes: Supplementary data
Journal Articles

Asymmetric membrane “sticky tape” enables simultaneous relaxation of area and curvature in simulation

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Samuel L. Foley, Markus Deserno
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 064111 (2024)
https://doi.org/10.1063/5.0189771
Published: February 2024
View articletitled, Asymmetric membrane “sticky tape” enables simultaneous relaxation of area and curvature in simulation
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Includes: Supplementary data
Journal Articles

Theoretical study of kinetic arrest, shear elastic modulus, and yielding in simple biphasic colloidal mixtures

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Subhasish Chaki, Kenneth S. Schweizer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 044907 (2024)
https://doi.org/10.1063/5.0177412
Published: January 2024
View articletitled, Theoretical study of kinetic arrest, shear elastic modulus, and yielding in simple biphasic colloidal mixtures
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Includes: Supplementary data
Journal Articles

Multiple relaxation dynamics under electric field enables tunable viscoelastic response of poly(methyl methacrylate) above glass transition temperature

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Yinuo Teng, Yunlong Guo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 044903 (2024)
https://doi.org/10.1063/5.0186755
Published: January 2024
View articletitled, Multiple relaxation dynamics under electric field enables tunable viscoelastic response of poly(methyl methacrylate) above glass transition temperature
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Includes: Supplementary data
Journal Articles

Efficient characterization of double-cross-linked networks in hydrogels using data-inspired coarse-grained molecular dynamics model

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Ting Zong, Xia Liu, Xingyu Zhang, Qingsheng Yang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 024115 (2024)
https://doi.org/10.1063/5.0180847
Published: January 2024
View articletitled, Efficient characterization of double-cross-linked networks in hydrogels using data-inspired coarse-grained molecular dynamics model
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Journal Articles

An entropy generation approach to the molecular recoiling stress relaxation in thin nonequilibrated polymer films

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Mithun Madhusudanan, Mithun Chowdhury
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 014904 (2024)
https://doi.org/10.1063/5.0185728
Published: January 2024
View articletitled, An entropy generation approach to the molecular recoiling stress relaxation in thin nonequilibrated polymer films
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Includes: Supplementary data
Journal Articles

Estimation of negative membrane tension in lipid bilayers and its effect on antimicrobial peptide magainin 2-induced pore formation

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Marzuk Ahmed, Md. Masum Billah, Yukihiro Tamba, Masahito Yamazaki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 011101 (2024)
https://doi.org/10.1063/5.0174288
Published: January 2024
View articletitled, Estimation of negative membrane tension in lipid bilayers and its effect on antimicrobial peptide magainin 2-induced pore formation
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Includes: Supplementary data