Phase separation in fluid systems by spinodal decomposition. II. A molecular dynamics computer simulation

1978 ◽  
Vol 69 (8) ◽  
pp. 3462-3467 ◽  
Author(s):  
Michael R. Mruzik ◽  
Farid F. Abraham ◽  
G. M. Pound
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Phase Separation ◽  
Spinodal Decomposition ◽  
Fluid Systems

Phase Separation in Fluid Systems by Spinodal Decomposition: A Molecular-Dynamics Simulation

1976 ◽  
Vol 36 (5) ◽  
pp. 261-264 ◽  
Author(s):  
Farid F. Abraham ◽  
Donald E. Schreiber ◽  
Michael R. Mruzik ◽  
G. M. Pound
Keyword(s):  
Molecular Dynamics ◽  
Phase Separation ◽  
Molecular Dynamics Simulation ◽  
Spinodal Decomposition ◽  
Dynamics Simulation ◽  
Fluid Systems

Computer Simulation Studies of Fracture in Vitreous Silica

2002 ◽  
Vol 731 ◽  
Author(s):  
Romulo Ochoa ◽  
Michael Arief ◽  
Joseph H. Simmons
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Computer Simulations ◽  
Silica Glass ◽  
Vitreous Silica ◽  
Uniaxial Strain ◽  
Force Function ◽  
Simulation Studies ◽  
Previous Fracture ◽  
Computer Simulation Studies

AbstractWe conduct molecular dynamics computer simulations of fracture in silica glass using the van Beest, Kramer, and van Santen model. Stress is applied by uniaxial strain at different pulling rates. Comparisons with previous fracture simulations of silica that used the Soules force function are presented. We find that in both models stress is relieved by rotation of the (SiO4)-2 tetrahedrons, increasing Si-O-Si bonding angles, and only small changes in the tetrahedron dimensions and O-Si-O angles.

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