Cluster Evolution at Early Stages of 1,3,5-Triamino-2,4,6-trinitrobenzene under Various Heating Conditions: A Molecular Reactive Force Field Study

2016 ◽  
Vol 120 (22) ◽  
pp. 3929-3937 ◽  
Author(s):  
Yushi Wen ◽  
Xianggui Xue ◽  
Xinping Long ◽  
Chaoyang Zhang
Keyword(s):  
Force Field ◽  
Field Study ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Early Stages ◽  
Cluster Evolution

Cluster evolution during the early stages of heating explosives and its relationship to sensitivity: a comparative study of TATB, β-HMX and PETN by molecular reactive force field simulations

2015 ◽  
Vol 17 (18) ◽  
pp. 12013-12022 ◽  
Author(s):  
Yushi Wen ◽  
Chaoyang Zhang ◽  
Xianggui Xue ◽  
Xinping Long
Keyword(s):  
Comparative Study ◽  
Force Field ◽  
Oxygen Balance ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Early Stages ◽  
Cluster Evolution

The clustering mechanism of heating TATB, HMX and PETN was strongly influenced by their oxygen balance and was related to their sensitivity.

ReaxFF Reactive Force Field Study of the Dissociation of Water on Titania Surfaces

2013 ◽  
Vol 117 (20) ◽  
pp. 10558-10572 ◽  
Author(s):  
Muralikrishna Raju ◽  
Sung-Yup Kim ◽  
Adri C. T. van Duin ◽  
Kristen A. Fichthorn
Keyword(s):  
Force Field ◽  
Field Study ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Reaxff Reactive Force Field

A Reactive Force Field Study on the Interaction of Lubricant with Diamond-Like Carbon Structures

2016 ◽  
Vol 120 (48) ◽  
pp. 27443-27451 ◽  
Author(s):  
Roghayyeh Lotfi ◽  
ASM Jonayat ◽  
Adri C. T. van Duin ◽  
Mousumi M. Biswas ◽  
Robert Hempstead
Keyword(s):  
Force Field ◽  
Field Study ◽  
Diamond Like Carbon ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Carbon Structures

scholarly journals Reactive Force Field Study of Li/C Systems for Electrical Energy Storage

2015 ◽  
Vol 11 (5) ◽  
pp. 2156-2166 ◽  
Author(s):  
Muralikrishna Raju ◽  
P. Ganesh ◽  
Paul R. C. Kent ◽  
Adri C. T. van Duin
Keyword(s):  
Energy Storage ◽  
Force Field ◽  
Field Study ◽  
Electrical Energy ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Electrical Energy Storage

scholarly journals ReaxFF Reactive Force Field Study of Polymerization of a Polymer Matrix in a Carbon Nanotube-Composite System

2020 ◽  
Vol 124 (37) ◽  
pp. 20488-20497
Author(s):  
Behzad Damirchi ◽  
Matthew Radue ◽  
Krishan Kanhaiya ◽  
Hendrik Heinz ◽  
Gregory M. Odegard ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Force Field ◽  
Field Study ◽  
Polymer Matrix ◽  
Composite System ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Reaxff Reactive Force Field ◽  
Carbon Nanotube Composite

Site Stability on Cobalt Nanoparticles: A Molecular Dynamics ReaxFF Reactive Force Field Study

2014 ◽  
Vol 118 (13) ◽  
pp. 6882-6886 ◽  
Author(s):  
Xue-Qing Zhang ◽  
Eldhose Iype ◽  
Silvia V. Nedea ◽  
Antonius P. J. Jansen ◽  
Bartłomiej M. Szyja ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Force Field ◽  
Field Study ◽  
Cobalt Nanoparticles ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Reaxff Reactive Force Field

ReaxFF Reactive Force-Field Study of Molybdenum Disulfide (MoS2)

2017 ◽  
Vol 8 (3) ◽  
pp. 631-640 ◽  
Author(s):  
Alireza Ostadhossein ◽  
Ali Rahnamoun ◽  
Yuanxi Wang ◽  
Peng Zhao ◽  
Sulin Zhang ◽  
...  
Keyword(s):  
Force Field ◽  
Field Study ◽  
Molybdenum Disulfide ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Reaxff Reactive Force Field
Sign in / Sign up

Export Citation Format

Share Document