A comparative study of ibuprofen and ketoprofen glass-forming liquids by molecular dynamics simulations

2015 ◽  
Vol 143 (16) ◽  
pp. 164506 ◽  
Author(s):  
M. T. Ottou Abe ◽  
N. T. Correia ◽  
J. M. B. Ndjaka ◽  
F. Affouard
Keyword(s):  
Molecular Dynamics ◽  
Comparative Study ◽  
Molecular Dynamics Simulations ◽  
Glass Forming ◽  
Dynamics Simulations

Revisiting the Stokes–Einstein relation for glass-forming melts

2020 ◽  
Vol 22 (4) ◽  
pp. 2557-2565 ◽  
Author(s):  
Qi-Long Cao ◽  
Pan-Pan Wang ◽  
Duo-Hui Huang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Einstein Relation ◽  
Glass Forming ◽  
Dynamics Simulations

Molecular dynamics simulations of Ni36Zr64, Cu65Zr35 and Ni80Al20 were carried out over a broad range of temperature (900–3000 K) to investigate the Stokes–Einstein (SE) relation for glass-forming melts.

Thermal conductivity of two-dimensional BC3: a comparative study with two-dimensional C3N

2019 ◽  
Vol 21 (24) ◽  
pp. 12977-12985 ◽  
Author(s):  
Jieren Song ◽  
Zhonghai Xu ◽  
Xiaodong He ◽  
Yujiao Bai ◽  
Linlin Miao ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Comparative Study ◽  
Molecular Dynamics Simulations ◽  
Environmental Temperature ◽  
Single Layer ◽  
Two Dimensional ◽  
Vacancy Defects ◽  
Dynamics Simulations ◽  
External Strain

The thermal conductivities of single-layer BC3 (SLBC) sheets and their responses to environmental temperature, vacancy defects and external strain have been studied and compared with those of single-layer C3N (SLCN) sheets by molecular dynamics simulations.

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