Alkane–Metal Interfacial Structure and Elastic Properties by Molecular Dynamics Simulation

2016 ◽  
Vol 8 (26) ◽  
pp. 16885-16896 ◽  
Author(s):  
Katherine Sebeck ◽  
Chen Shao ◽  
John Kieffer
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Elastic Properties ◽  
Interfacial Structure ◽  
Dynamics Simulation

A molecular dynamics simulation study of elastic properties of HMX

2003 ◽  
Vol 119 (14) ◽  
pp. 7417-7426 ◽  
Author(s):  
Thomas D. Sewell ◽  
Ralph Menikoff ◽  
Dmitry Bedrov ◽  
Grant D. Smith
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Elastic Properties ◽  
Simulation Study ◽  
Dynamics Simulation

Selective dispersion of neutral nanoplate and the interfacial structure of copolymers based on the coarse-grained molecular dynamics simulation

Soft Matter ◽  
2021 ◽  
Author(s):  
Jun Qin ◽  
Xing Li ◽  
Qing Lv ◽  
Min He ◽  
Mengyu Chen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Interfacial Structure ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Coarse Grained Molecular Dynamics

The selective dispersion of neutral nanoplates (NNP) and the control of the interfacial structure of copolymers is challenging. In this work, we employ coarse-grained molecular dynamics (CGMD) to investigate the...

Interfacial Structure of Toluene at an Ionic Liquid/Vapor Interface: A Molecular Dynamics Simulation Investigation

2015 ◽  
Vol 119 (18) ◽  
pp. 9966-9972 ◽  
Author(s):  
Francois Delaunay ◽  
Alfredo-Santiago Rodriguez-Castillo ◽  
Annabelle Couvert ◽  
Abdeltif Amrane ◽  
Pierre-Francois Biard ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Interfacial Structure ◽  
Dynamics Simulation ◽  
Vapor Interface ◽  
Liquid Vapor
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