Early stage oxynitridation process of Si(001) surface by NO gas: Reactive molecular dynamics simulation study

2016 ◽  
Vol 119 (12) ◽  
pp. 125305 ◽  
Author(s):  
Haining Cao ◽  
Pooja Srivastava ◽  
Keunsu Choi ◽  
Seungchul Kim ◽  
Kwang-Ryeol Lee
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Early Stage ◽  
Dynamics Simulation ◽  
Reactive Molecular Dynamics

Reactive molecular dynamics simulation of early stage of dry oxidation of Si (100) surface

2011 ◽  
Vol 110 (5) ◽  
pp. 053513 ◽  
Author(s):  
Mauludi Ariesto Pamungkas ◽  
Minwoong Joe ◽  
Byung-Hyun Kim ◽  
Kwang-Ryeol Lee
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Early Stage ◽  
Dynamics Simulation ◽  
Reactive Molecular Dynamics ◽  
Dry Oxidation

Effects of hot spot distance on explosive ignition and reaction growth: A reactive molecular dynamics simulation study

2021 ◽  
Vol 129 (24) ◽  
pp. 245903
Author(s):  
Ruqin Liu ◽  
Shujuan Wang ◽  
Xiaona Huang ◽  
Yushi Wen ◽  
Xiaogan Dai ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Hot Spot ◽  
Dynamics Simulation ◽  
Reactive Molecular Dynamics

Effect of density on the thermal decomposition mechanism of ε-CL-20: a ReaxFF reactive molecular dynamics simulation study

2018 ◽  
Vol 20 (35) ◽  
pp. 22600-22609 ◽  
Author(s):  
Fuping Wang ◽  
Lang Chen ◽  
Deshen Geng ◽  
Jianying Lu ◽  
Junying Wu
Keyword(s):  
Molecular Dynamics ◽  
Thermal Decomposition ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
High Energy ◽  
Decomposition Mechanism ◽  
Dynamics Simulation ◽  
Thermal Decomposition Mechanism ◽  
Reactive Molecular Dynamics ◽  
First Time

We used reactive molecular dynamics for the first time to study the thermal decomposition of a new high-energy explosive (CL-20) under different compressions.

A molecular dynamics simulation study decodes the early stage of the disassembly process abolishing the human SAMHD1 function

2017 ◽  
Vol 31 (5) ◽  
pp. 497-505 ◽  
Author(s):  
Francesca Cardamone ◽  
Federico Iacovelli ◽  
Giovanni Chillemi ◽  
Mattia Falconi ◽  
Alessandro Desideri
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Early Stage ◽  
Dynamics Simulation ◽  
Disassembly Process
Sign in / Sign up

Export Citation Format

Share Document