Molecular dynamics simulation of Al–SiO2 sandwich nanostructure melting and low-temperature energetic reaction behavior

Jinping Zhang; Yubing Si; Can Leng; Baocheng Yang

doi:10.1039/c6ra09570d

Molecular dynamics simulation of Al–SiO2 sandwich nanostructure melting and low-temperature energetic reaction behavior

RSC Advances ◽

10.1039/c6ra09570d ◽

2016 ◽

Vol 6 (64) ◽

pp. 59313-59318 ◽

Cited By ~ 2

Author(s):

Jinping Zhang ◽

Yubing Si ◽

Can Leng ◽

Baocheng Yang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Low Temperature ◽

Force Field ◽

Melting Temperature ◽

Md Simulations ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field ◽

Reaction Behavior

The heating and low temperature thermite reactions of the Al/SiO2 sandwich nanostructure are investigated by MD simulations in combination with the reactive force field. The results show that the melting temperature of this structure is ∼1400 K.

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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 ◽

Molecular Dynamics Simulation ◽

Silicon Dioxide ◽

Force Field ◽

Hydrogen Fluoride ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field

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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 ◽

Molecular Dynamics Simulation ◽

Force Field ◽

Dynamics Simulation ◽

Simulation Studies ◽

Reactive Force ◽

Reactive Force Field ◽

Sofc Anode

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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 ◽

Molecular Dynamics Simulation ◽

Thermal Degradation ◽

Force Field ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field ◽

Silicone Grease

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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 ◽

Molecular Dynamics Simulation ◽

Force Field ◽

Quinoline Derivative ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field

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A reactive force field molecular dynamics simulation of nickel oxidation in supercritical water

The Journal of Supercritical Fluids ◽

10.1016/j.supflu.2017.10.025 ◽

2018 ◽

Vol 133 ◽

pp. 421-428 ◽

Cited By ~ 5

Author(s):

Liqiang Ai ◽

Yusi Zhou ◽

Haishen Huang ◽

Yongjun Lv ◽

Min Chen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Force Field ◽

Supercritical Water ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field ◽

Nickel Oxidation

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Development of reactive force field for Ni-O-H system and molecular dynamics simulation of NiO reduction

The Proceedings of The Computational Mechanics Conference ◽

10.1299/jsmecmd.2019.32.088 ◽

2019 ◽

Vol 2019.32 (0) ◽

pp. 088

Author(s):

Takehiro ASARI ◽

Takafumi KAMINO ◽

Atsushi KUBO ◽

Yoshitaka UMENO

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Force Field ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field

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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 ◽

Molecular Dynamics Simulation ◽

Force Field ◽

Amorphous Silica ◽

Simulation Method ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field ◽

Reaxff Reactive Force Field

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A reactive force field molecular dynamics simulation of the dynamic properties of hydrogen bonding in supercritical water

Journal of Molecular Liquids ◽

10.1016/j.molliq.2018.11.133 ◽

2019 ◽

Vol 276 ◽

pp. 83-92 ◽

Cited By ~ 7

Author(s):

Liqiang Ai ◽

Yusi Zhou ◽

Min Chen

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Molecular Dynamics Simulation ◽

Force Field ◽

Supercritical Water ◽

Dynamic Properties ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field

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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 ◽

Molecular Dynamics Simulation ◽

Force Field ◽

Transformer Oil ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field ◽

Reactive Molecular Dynamics ◽

Reaxff Reactive Force Field

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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 ◽

Molecular Dynamics Simulation ◽

Force Field ◽

Oil Shale ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field ◽

Reactive Molecular Dynamics ◽

Reaxff Reactive Force Field

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