Polymer solutions confined in slit-like pores with attractive walls: An off-lattice Monte Carlo study of static properties and chain dynamics

1996 ◽  
Vol 2 (3) ◽  
pp. 167-181 ◽  
Author(s):  
Andrey Milchev ◽  
Kurt Binder
Keyword(s):  
Monte Carlo ◽  
Polymer Solutions ◽  
Monte Carlo Study ◽  
Static Properties ◽  
Chain Dynamics ◽  
Lattice Monte Carlo

Dilution effect on the compensation temperature in a honeycomb nano-lattice: Monte Carlo study

2020 ◽  
Vol 63 ◽  
pp. 36-44 ◽  
Author(s):  
M. Qajjour ◽  
N. Maaouni ◽  
Z. Fadil ◽  
A. Mhirech ◽  
B. Kabouchi ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Dilution Effect ◽  
Monte Carlo Study ◽  
Compensation Temperature ◽  
Lattice Monte Carlo

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 Molecular bottle brushes in thin films: An off-lattice Monte Carlo study

1999 ◽  
Vol 110 (2) ◽  
pp. 1180-1187 ◽  
Author(s):  
Mika Saariaho ◽  
Olli Ikkala ◽  
Gerrit ten Brinke
Keyword(s):  
Thin Films ◽  
Monte Carlo ◽  
Monte Carlo Study ◽  
Lattice Monte Carlo ◽  
Bottle Brushes

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.

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