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 Development of a reactive force field for CaCl2·nH2O, and the application to thermochemical energy storage

2021 ◽  
Vol 197 ◽  
pp. 110595
Author(s):  
Koen Heijmans ◽  
Sophie Nab ◽  
Bern Klein Holkenborg ◽  
Amar Deep Pathak ◽  
Silvia Gaastra-Nedea ◽  
...  
Keyword(s):  
Energy Storage ◽  
Force Field ◽  
Reactive Force ◽  
Reactive Force Field

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 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
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