scholarly journals The Study of the Dynamical Heterogeneity in the β-Relaxation Time Regime: The Two-Dimensional Molecular Dynamics Simulation with Soft-Sphere Particles

2009 ◽  
Vol 178 ◽  
pp. 133-140 ◽  
Author(s):  
Tadashi Muranaka ◽  
Jun Matsui ◽  
Yasuaki Hiwatari
Keyword(s):  
Molecular Dynamics ◽  
Relaxation Time ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Two Dimensional ◽  
Dynamical Heterogeneity ◽  
Soft Sphere ◽  
Time Regime ◽  
Β Relaxation

Molecular Dynamics Simulation of Relaxation and Local Structure Change of a Molten Cu135 Cluster during Rapidly Quenching

2011 ◽  
Vol 694 ◽  
pp. 908-913 ◽  
Author(s):  
S.N Xu ◽  
N. He ◽  
L. Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Local Structure ◽  
Average Energy ◽  
Dynamics Simulation ◽  
Relaxation Processes ◽  
Quenching Temperature ◽  
Embedded Atom ◽  
Structure Changes ◽  
Β Relaxation

Relaxation and local structure changes of a molten Cu135 cluster have been studied by molecular dynamics simulation using embedded atom method when the cluster is rapidly quenched to 700K, 600K, 500K, 400K, 300K, 200K, and 100K. With decreasing quenching temperature, details of energy evolvement and relaxation are analyzed. The simulation results show that the final structures are molten at 700K, like-icosahedral geometry at 600K-200K, non-crystal at 100K. The average energy of atoms is the lowest at 500K, and in the relaxation has abrupt increase at 25,135 and 42ps separately at 400K, 300K, and 200K. The simulation reveals that the quenching temperature has great affect on the relaxation processes of the Cu135 cluster after β relaxation region.

DEPENDENCE OF THE GLASS TRANSITION TEMPERATURE ON DENSITY IN A SOFT SPHERE SYSTEM WITH MORSE POTENTIAL

2002 ◽  
Vol 16 (18) ◽  
pp. 669-675
Author(s):  
HAO-YANG LIU ◽  
WEN-BING ZHANG ◽  
XIAN-WU ZOU ◽  
YIN-QUAN YUAN ◽  
ZHUN-ZHI JIN
Keyword(s):  
Molecular Dynamics ◽  
Glass Transition ◽  
Transition Temperature ◽  
Glass Transition Temperature ◽  
Molecular Dynamics Simulation ◽  
Partition Function ◽  
Morse Potential ◽  
Function Analysis ◽  
Dynamics Simulation ◽  
Soft Sphere

The glass transition for the soft sphere system with Morse potential was investigated based on molecular dynamics simulation and partition function analysis. The dependence of the glass transition temperature on the density and the softness of the potential was obtained.

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