scholarly journals Dynamical Monte Carlo study of equilibrium polymers: Static properties

1998 ◽  
Vol 109 (2) ◽  
pp. 834-845 ◽  
Author(s):  
J. P. Wittmer ◽  
A. Milchev ◽  
M. E. Cates
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Study ◽  
Static Properties ◽  
Equilibrium Polymers

scholarly journals Dynamical Monte Carlo study of equilibrium polymers. II. The role of rings

2000 ◽  
Vol 113 (16) ◽  
pp. 6992-7005 ◽  
Author(s):  
J. P. Wittmer ◽  
P. van der Schoot ◽  
A. Milchev ◽  
J. L. Barrat
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Study ◽  
Equilibrium Polymers

Monte Carlo Analysis of the Evolution from Point to Extended Interstitial Type Defects in Crystalline Silicon

2000 ◽  
Vol 610 ◽  
Author(s):  
Antonino La Magna ◽  
Salvatore Coffa ◽  
Sebania Libertino
Keyword(s):  
Monte Carlo ◽  
Crystalline Silicon ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Study ◽  
Monte Carlo Analysis ◽  
Energetic Cost ◽  
Original Structure ◽  
Static Properties ◽  
Molecular Dynamics Calculations ◽  
Large Clusters

AbstractWe present a Lattice Kinetic Monte Carlo study of the atomic evolution leading to {311} defects formation upon annealing of a damaged Si-crystal. Self-interstitial (I) agglomeration is modeled by using local interaction and considering the energetic cost to under/over coordinate the Si atoms belonging to an I-complex. The static properties of the I aggregates as derived by molecular dynamics calculations, in the two extreme regimes of very small and very large clusters, have been mapped in the model. The typical evolution of an excess of Si ions is characterized by three distinct stages: (1) the formation of clusters consisting of few interstitials in a over-coordination state, (2) their redistribution in larger agglomerates containing a few of these small I clusters all preserving their original structure, (3) a transition leading to Is rearrangement along the ≪110> chains, which are the structural units of {311} defects. The duration of the preliminary stages critically depends on temperature and density of the added atoms.

scholarly journals A Monte-Carlo study of equilibrium polymers in a shear flow

1999 ◽  
Vol 12 (2) ◽  
pp. 241-251 ◽  
Author(s):  
A. Milchev ◽  
J.P. Wittmer ◽  
D.P. Landau
Keyword(s):  
Monte Carlo ◽  
Shear Flow ◽  
Monte Carlo Study ◽  
Equilibrium Polymers
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