A reversible problem in non-equilibrium thermodynamics: Hamiltonian evolution equations for non-equilibrium molecular dynamics simulations

2001 ◽  
Vol 96 (1-2) ◽  
pp. 163-175 ◽  
Author(s):  
Brian J Edwards ◽  
Marco Dressler
2017 ◽  
Vol 137 ◽  
pp. 273-281 ◽  
Author(s):  
Tian Qiu ◽  
Yongnan Xiong ◽  
Shifang Xiao ◽  
Xiaofan Li ◽  
Wangyu Hu ◽  
...  

Author(s):  
Arian Mayelifartash ◽  
Mohammad Ali Abdol ◽  
Sadegh Sadeghzadeh

In this paper, by employing non-equilibrium molecular dynamics simulations (NEMD), the thermal conductance of hybrid formed by polyaniline (C3N) and boron carbide (BC3) in both armchair and zigzag configurations has...


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