scholarly journals Thermal transport in porous Si nanowires from approach-to-equilibrium molecular dynamics calculations

2016 ◽  
Vol 109 (1) ◽  
pp. 013107 ◽  
Author(s):  
Xavier Cartoixà ◽  
Riccardo Dettori ◽  
Claudio Melis ◽  
Luciano Colombo ◽  
Riccardo Rurali
Keyword(s):  
Molecular Dynamics ◽  
Thermal Transport ◽  
Approach To Equilibrium ◽  
Porous Si ◽  
Si Nanowires ◽  
Molecular Dynamics Calculations

MOLECULAR DYNAMICS CALCULATIONS OF NEAR-CRITICAL LIQUID OXYGEN DROPLET SURFACE TENSION

2005 ◽  
Vol 15 (4) ◽  
pp. 413-422 ◽  
Author(s):  
Michael M. Micci ◽  
S. J. Lee ◽  
B. Vieille ◽  
C. Chauveau ◽  
Iskendar Gokalp
Keyword(s):  
Molecular Dynamics ◽  
Surface Tension ◽  
Droplet Surface ◽  
Liquid Oxygen ◽  
Molecular Dynamics Calculations

Dynamics and kinetics of the Si(1D) + H2/D2 reactions on a new global ab initio potential energy surface

2021 ◽  
Vol 23 (10) ◽  
pp. 6141-6153
Author(s):  
Jianwei Cao ◽  
Yanan Wu ◽  
Haitao Ma ◽  
Zhitao Shen ◽  
Wensheng Bian
Keyword(s):  
Molecular Dynamics ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Quantum Dynamics ◽  
Energy Surface ◽  
Molecular Dynamics Calculations ◽  
Ring Polymer ◽  
Ring Polymer Molecular Dynamics ◽  
Kinetics Of

Quantum dynamics and ring polymer molecular dynamics calculations reveal interesting dynamical and kinetic behaviors of an endothermic complex-forming reaction.

scholarly journals Electro-thermal transport in disordered nanostructures: a modeling perspective

2020 ◽  
Vol 2 (7) ◽  
pp. 2648-2667
Author(s):  
Fabian Ducry ◽  
Jan Aeschlimann ◽  
Mathieu Luisier
Keyword(s):  
Molecular Dynamics ◽  
Quantum Transport ◽  
Thermal Transport ◽  
Thermal Effects ◽  
Critical Role ◽  
Random Access ◽  
Shed Light

We review here how molecular dynamics and quantum transport can be combined to shed light on the performance of, for example, conductive bridging random access memories, and we show that electro-thermal effects play a critical role.

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