Reactive Molecular Dynamics Simulation on the Disintegration of Kapton, POSS Polyimide, Amorphous Silica, and Teflon during Atomic Oxygen Impact Using the Reaxff Reactive Force-Field Method

Force Field ◽

Amorphous Silica ◽

Atomic Oxygen ◽

Field Method ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Molecular Dynamics ◽

Study of ice cluster impacts on amorphous silica using the ReaxFF reactive force field molecular dynamics simulation method

Journal of Applied Physics ◽

10.1063/1.4942997 ◽

2016 ◽

Vol 119 (9) ◽

pp. 095901 ◽

Cited By ~ 4

Author(s):

A. Rahnamoun ◽

A. C. T. van Duin

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Amorphous Silica ◽

Simulation Method ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field ◽

Reactive Molecular Dynamics Simulation of Transformer Oil Pyrolysis Based on ReaxFF Reactive Force Field

IOP Conference Series Materials Science and Engineering ◽

10.1088/1757-899x/486/1/012029 ◽

2019 ◽

Vol 486 ◽

pp. 012029

Author(s):

Xue-lei Wang ◽

Wei Xu ◽

Wen-bing Zhu ◽

Qing-min Li

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Transformer Oil ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field ◽

Reactive Molecular Dynamics ◽

Reactive molecular dynamics simulation of oil shale combustion using the ReaxFF reactive force field

Energy Sources Part A Recovery Utilization and Environmental Effects ◽

10.1080/15567036.2019.1624887 ◽

2019 ◽

Vol 43 (3) ◽

pp. 349-360 ◽

Cited By ~ 1

Author(s):

Zhijun Zhang ◽

Hanyu Zhang ◽

Jun Chai ◽

Liang Zhao ◽

Li Zhuang

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Oil Shale ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field ◽

Reactive Molecular Dynamics ◽

Molecular dynamics simulation of O2 sticking on Pt(111) using the ab initio based ReaxFF reactive force field

The Journal of Chemical Physics ◽

10.1063/1.3469810 ◽

2010 ◽

Vol 133 (8) ◽

pp. 084703 ◽

Cited By ~ 39

Author(s):

Paolo Valentini ◽

Thomas E. Schwartzentruber ◽

Ioana Cozmuta

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Ab Initio ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field ◽

Molecular Dynamics Simulation of Silicon Dioxide Etching by Hydrogen Fluoride Using the Reactive Force Field

ACS Omega ◽

10.1021/acsomega.1c01824 ◽

2021 ◽

Author(s):

Dong Hyun Kim ◽

Seung Jae Kwak ◽

Jae Hun Jeong ◽

Suyoung Yoo ◽

Sang Ki Nam ◽

...

Keyword(s):

Molecular Dynamics ◽

Silicon Dioxide ◽

Force Field ◽

Hydrogen Fluoride ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field

Reactive force-field molecular dynamics simulation for the surface reaction of SiH (x = 2–4) species on Si(1 0 0)-(2 × 1):H surfaces in chemical vapor deposition processes

Computational Materials Science ◽

10.1016/j.commatsci.2022.111193 ◽

2022 ◽

Vol 204 ◽

pp. 111193

Author(s):

Naoya Uene ◽

Takuya Mabuchi ◽

Masaru Zaitsu ◽

Shigeo Yasuhara ◽

Takashi Tokumasu

Keyword(s):

Molecular Dynamics ◽

Chemical Vapor Deposition ◽

Force Field ◽

Vapor Deposition ◽

Surface Reaction ◽

Chemical Vapor ◽

Dynamics Simulation ◽

Reactive Force ◽

Deposition Processes

Molecular Dynamics Simulation Studies of H Diffusion in SOFC Anode Using Reactive Force Field

ECS Transactions ◽

10.1149/05701.2649ecst ◽

2013 ◽

Vol 57 (1) ◽

pp. 2649-2654

Author(s):

L. C. Saha ◽

K. Nakao ◽

H. Kohno ◽

T. Ishimoto ◽

M. Koyama

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Dynamics Simulation ◽

Simulation Studies ◽

Reactive Force ◽

Reactive Force Field ◽

Sofc Anode

Molecular dynamics simulation of thermal degradation of silicone grease using reactive force field

Journal of Applied Polymer Science ◽

10.1002/app.50203 ◽

2020 ◽

pp. 50203

Author(s):

Xinyu Wei ◽

Chi Xu ◽

Zhidong Jia ◽

Xilin Wang

Keyword(s):

Molecular Dynamics ◽

Thermal Degradation ◽

Force Field ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field ◽

Silicone Grease

Interaction between single-walled carbon nanotubes and polymers: A molecular dynamics simulation study with reactive force field

Computational Materials Science ◽

10.1016/j.commatsci.2012.01.023 ◽

2012 ◽

Vol 58 ◽

pp. 7-11 ◽

Cited By ~ 56

Author(s):

Esmaeil Zaminpayma ◽

Kavoos Mirabbaszadeh

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Force Field ◽

Simulation Study ◽

Single Walled Carbon Nanotubes ◽

Dynamics Simulation ◽

Reactive Force ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Molecular dynamics simulation of the interaction between human CD38 and some quinoline derivative inhibitors using reactive force field

Vietnam Journal of Chemistry ◽

10.1002/vjch.201900073 ◽

2019 ◽

Vol 57 (4) ◽

pp. 448-452

Author(s):

Dang Ung Van

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Quinoline Derivative ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field