Structure of amorphous BaTiO3 by molecular dynamics simulations using a shell model

Physica B Condensed Matter ◽

10.1016/j.physb.2019.411799 ◽

2020 ◽

Vol 579 ◽

pp. 411799

Author(s):

Tamotsu Hashimoto ◽

Hiroki Moriwake

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Shell Model ◽

Dynamics Simulations

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Calibration of nonlocal strain gradient shell model for buckling analysis of nanotubes using molecular dynamics simulations

Physica B Condensed Matter ◽

10.1016/j.physb.2017.06.058 ◽

2017 ◽

Vol 521 ◽

pp. 102-111 ◽

Cited By ~ 34

Author(s):

Fahimeh Mehralian ◽

Yaghoub Tadi Beni ◽

Mehran Karimi Zeverdejani

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Shell Model ◽

Strain Gradient ◽

Buckling Analysis ◽

Dynamics Simulations ◽

Nonlocal Strain Gradient

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Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b01072 ◽

2020 ◽

Vol 16 (3) ◽

pp. 1866-1881 ◽

Cited By ~ 2

Author(s):

Victor Ovchinnikov ◽

Simone Conti ◽

Edmond Y. Lau ◽

Felice C. Lightstone ◽

Martin Karplus

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Shell Model ◽

Solvation Shell ◽

Quasi Equilibrium ◽

Dynamics Simulations

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Refinement of the primary hydration shell model for molecular dynamics simulations of large proteins

Journal of Computational Chemistry ◽

10.1002/jcc.21246 ◽

2009 ◽

Vol 30 (16) ◽

pp. 2635-2644 ◽

Cited By ~ 4

Author(s):

Mehdi Bagheri Hamaneh ◽

Matthias Buck

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Shell Model ◽

Hydration Shell ◽

Large Proteins ◽

Dynamics Simulations

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Electrical susceptibilities of KNbO3 by molecular dynamics simulations using a shell model

Physica B Condensed Matter ◽

10.1016/j.physb.2016.01.015 ◽

2016 ◽

Vol 485 ◽

pp. 110-115 ◽

Cited By ~ 4

Author(s):

T. Hashimoto ◽

H. Moriwake

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Shell Model ◽

Dynamics Simulations

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Elastic Constants of Superconducting MgB 2 from Molecular Dynamics Simulations with Shell Model

Communications in Theoretical Physics ◽

10.1088/6102/44/5/936 ◽

2005 ◽

Vol 44 (5) ◽

pp. 936-940 ◽

Cited By ~ 3

Author(s):

Yun-Dong Guo ◽

Xiang-Rong Chen ◽

Xiang-Dong Yang ◽

Qing-Quan Gou

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Shell Model ◽

Elastic Constants ◽

Dynamics Simulations

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Dielectric properties of BaTiO3by molecular dynamics simulations using a shell model

Molecular Simulation ◽

10.1080/08927022.2014.938067 ◽

2014 ◽

Vol 41 (13) ◽

pp. 1074-1080 ◽

Cited By ~ 4

Author(s):

T. Hashimoto ◽

H. Moriwake

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Molecular Dynamics Simulations ◽

Shell Model ◽

Dynamics Simulations

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Molecular Dynamics Simulations of Water with Novel Shell-Model Potentials

The Journal of Physical Chemistry B ◽

10.1021/jp003843l ◽

2001 ◽

Vol 105 (13) ◽

pp. 2618-2626 ◽

Cited By ~ 124

Author(s):

Paul J. van Maaren ◽

David van der Spoel

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Shell Model ◽

Model Potentials ◽

Dynamics Simulations

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Stability analysis of carbon nanotubes based on a novel beam model and its comparison with Sanders shell model and molecular dynamics simulations

Journal of the Brazilian Society of Mechanical Sciences and Engineering ◽

10.1590/s1678-58782012000200004 ◽

2012 ◽

Vol 34 (2) ◽

pp. 126-134 ◽

Cited By ~ 3

Author(s):

R. Hosseini-Ara ◽

H. R. Mirdamadi ◽

H. Khademyzadeh ◽

R. Mostolizadeh

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Stability Analysis ◽

Molecular Dynamics Simulations ◽

Shell Model ◽

Beam Model ◽

Dynamics Simulations

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Piezoelectric Anisotropy of KNbO3 by Molecular Dynamics Simulations Using a Shell Model

Journal of the Physical Society of Japan ◽

10.7566/jpsj.85.034702 ◽

2016 ◽

Vol 85 (3) ◽

pp. 034702 ◽

Cited By ~ 4

Author(s):

Tamotsu Hashimoto ◽

Hiroki Moriwake

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Shell Model ◽

Dynamics Simulations

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Phonon Dispersion and Thermodynamics Properties of CaF 2 via Shell Model Molecular Dynamics Simulations

Communications in Theoretical Physics ◽

10.1088/0253-6102/51/5/29 ◽

2009 ◽

Vol 51 (5) ◽

pp. 904-908 ◽

Cited By ~ 1

Author(s):

Cheng Yan ◽

Hu Cui-E ◽

Zeng Zhao-Yi ◽

Gong Min ◽

Gou Qing-Quan

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Shell Model ◽

Phonon Dispersion ◽

Thermodynamics Properties ◽

Dynamics Simulations

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