Applications of path-integral molecular dynamics simulations to phase transition problems

2015 ◽  
Vol 60 (30) ◽  
pp. 2824-2832
Author(s):  
XinZheng LI ◽  
YeXin FENG ◽  
Ji CHEN ◽  
EnGe WANG
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Path Integral ◽  
Dynamics Simulations

THERMODYNAMICAL PROPERTIES OF SODIUM MICROCLUSTERS

2005 ◽  
Vol 19 (15n17) ◽  
pp. 2657-2662 ◽  
Author(s):  
F. S. ZHANG ◽  
F. WANG
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Tight Binding ◽  
Thermodynamical Properties ◽  
Dynamics Simulations

Isomerization, pseudo-rotation and phase transition in sodium microclusters Nan are investigated for several sizes ( n =4, 8, and 20) using distance dependent tight-binding molecular dynamics simulations with a particular attention to Na4.

scholarly journals Elucidating the mechanisms of nanodiamond-promoted structural disruption of crystallised lipid

Soft Matter ◽  
2016 ◽  
Vol 12 (40) ◽  
pp. 8338-8347 ◽  
Author(s):  
Zak E. Hughes ◽  
Tiffany R. Walsh
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transition Temperatures ◽  
Phase Transition Temperatures ◽  
Dynamics Simulations ◽  
Structural Disruption

Molecular dynamics simulations predict that a combination of sodium dodecylbenzene sulphonate surfactant molecules and nanodiamonds are able to induce a lowering of the phase transition temperatures of tristearin bilayers.

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