Quantum phase transition of water clusters: molecular dynamics simulations with a model potential

2004 ◽  
Vol 673 (1-3) ◽  
pp. 109-113 ◽  
Author(s):  
Seokmin Shin ◽  
Won-joon Son ◽  
Soonmin Jang
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Quantum Phase Transition ◽  
Water Clusters ◽  
Model Potential ◽  
Quantum Phase ◽  
Dynamics Simulations

Theoretical investigation of the solid–liquid phase transition in protonated water clusters

2017 ◽  
Vol 19 (40) ◽  
pp. 27288-27298 ◽  
Author(s):  
Kseniia Korchagina ◽  
Aude Simon ◽  
Mathias Rapacioli ◽  
Fernand Spiegelman ◽  
Jean-Marc L’Hermite ◽  
...  
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Liquid Phase ◽  
Molecular Dynamics Simulations ◽  
Theoretical Investigation ◽  
Water Clusters ◽  
Liquid Phase Transition ◽  
Dynamics Simulations ◽  
Solid Liquid

Molecular dynamics simulations provide an atomistic scale description of the phase transition in protonated water clusters (H2O)nH+(n= 20–23) and an interpretation to recent nano-calorimetric experiments.

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.

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