Incorporating Electronic Effects in Molecular Dynamics Simulations of Neutron and Ion-Induced Collision Cascades

Handbook of Materials Modeling ◽

10.1007/978-3-319-44680-6_135 ◽

2020 ◽

pp. 2413-2436

Author(s):

Andrea E. Sand

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Electronic Effects ◽

Dynamics Simulations

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Assessing the influence of electronic effects on molecular dynamics simulations of primary radiation damage in tungsten

Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms ◽

10.1016/j.nimb.2020.03.026 ◽

2020 ◽

Vol 471 ◽

pp. 90-99 ◽

Author(s):

Jiechao Cui ◽

Zhibing Zhou ◽

Baoqin Fu ◽

Qing Hou

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Radiation Damage ◽

Primary Radiation ◽

Electronic Effects ◽

Dynamics Simulations

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Integration of electronic effects into molecular dynamics simulations of collision cascades in silicon from first-principles calculations

Physical Review B ◽

10.1103/physrevb.104.195203 ◽

2021 ◽

Vol 104 (19) ◽

Author(s):

Thomas Jarrin ◽

Nicolas Richard ◽

Johannes Teunissen ◽

Fabiana Da Pieve ◽

Anne Hémeryck

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

First Principles ◽

First Principles Calculations ◽

Electronic Effects ◽

Dynamics Simulations

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Incorporating Electronic Effects in Molecular Dynamics Simulations of Neutron and Ion-Induced Collision Cascades

Handbook of Materials Modeling ◽

10.1007/978-3-319-50257-1_135-1 ◽

2018 ◽

pp. 1-25 ◽

Author(s):

Andrea E. Sand

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Electronic Effects ◽

Dynamics Simulations

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Incorporating Electronic Effects in Molecular Dynamics Simulations of Neutron and Ion-Induced Collision Cascades

Handbook of Materials Modeling ◽

10.1007/978-3-319-50257-1_135-2 ◽

2018 ◽

pp. 1-25

Author(s):

Andrea E. Sand

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Electronic Effects ◽

Dynamics Simulations

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

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ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

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Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments

Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

1997 ◽

Vol 94 ◽

pp. 1482-1502 ◽

Author(s):

DJ Tobias ◽

K Tu ◽

ML Klein

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

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Molecular Dynamics Simulations of Retrograde Condensation in Nanoporous Shale

Proceedings of the 3rd Unconventional Resources Technology Conference ◽

10.15530/urtec-2015-2172738 ◽

2015 ◽

Author(s):

William R. Welch ◽

Mohammad Piri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Retrograde Condensation ◽

Dynamics Simulations

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