scholarly journals Exploring the Conformational Dynamics of Alanine Dipeptide in Solution Subjected to an External Electric Field: A Nonequilibrium Molecular Dynamics Simulation

2014 ◽  
Vol 10 (4) ◽  
pp. 1376-1386 ◽  
Author(s):  
Han Wang ◽  
Christof Schütte ◽  
Giovanni Ciccotti ◽  
Luigi Delle Site
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Electric Field ◽  
External Electric Field ◽  
Conformational Dynamics ◽  
Dynamics Simulation ◽  
Nonequilibrium Molecular Dynamics ◽  
Alanine Dipeptide ◽  
Nonequilibrium Molecular Dynamics Simulation

Thermal properties of pillared-graphene nanostructures

2015 ◽  
Vol 1727 ◽  
Author(s):  
M. Rifu ◽  
K. Shintani
Keyword(s):  
Thermal Conductivity ◽  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Thermal Properties ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Nonequilibrium Molecular Dynamics ◽  
Nonequilibrium Molecular Dynamics Simulation ◽  
Thermal Conductivities ◽  
Graphene Nanostructures

ABSTRACTThe thermal conductivities of pillared-graphene nanostructures (PGNSs) are obtained using nonequilibrium molecular-dynamics simulation. It is revealed their thermal conductivities are much smaller than the thermal conductivities of carbon nanotubes (CNTs). This fact is explained by examining the density of states (DOS) of the local phonons of PGNSs. It is also found the thermal conductivity of a PGNS linearly decreases with the increase of the inter-pillar distance.

Sign in / Sign up

Export Citation Format

Share Document