Monte Carlo Study of Supramolecular Polymer Fractionation:  Selective Removal of Chain Stoppers by Phase Separation

2006 ◽  
Vol 110 (37) ◽  
pp. 18629-18634 ◽  
Author(s):  
Henk J. A. Zweistra ◽  
Nicolaas A. M. Besseling ◽  
Martien A. Cohen Stuart
Keyword(s):  
Monte Carlo ◽  
Phase Separation ◽  
Monte Carlo Study ◽  
Selective Removal ◽  
Supramolecular Polymer ◽  
Polymer Fractionation

scholarly journals Phase separation in the two-dimensional Hubbard model: A fixed-node quantum Monte Carlo study

1998 ◽  
Vol 58 (22) ◽  
pp. R14685-R14688 ◽  
Author(s):  
A. C. Cosentini ◽  
M. Capone ◽  
L. Guidoni ◽  
G. B. Bachelet
Keyword(s):  
Monte Carlo ◽  
Phase Separation ◽  
Hubbard Model ◽  
Quantum Monte Carlo ◽  
Monte Carlo Study ◽  
Two Dimensional ◽  
Fixed Node

Monte Carlo study of phase separation in critical polymer blends

1993 ◽  
Vol 48 (5) ◽  
pp. 3705-3711 ◽  
Author(s):  
Gregory Brown ◽  
Amitabha Chakrabarti
Keyword(s):  
Monte Carlo ◽  
Phase Separation ◽  
Polymer Blends ◽  
Monte Carlo Study

Monte Carlo study of phase separation in aqueous protein solutions

1996 ◽  
Vol 104 (4) ◽  
pp. 1646-1656 ◽  
Author(s):  
Aleksey Lomakin ◽  
Neer Asherie ◽  
George B. Benedek
Keyword(s):  
Monte Carlo ◽  
Phase Separation ◽  
Monte Carlo Study ◽  
Protein Solutions

scholarly journals Phase separation driven by surface diffusion: A Monte Carlo study

2005 ◽  
Vol 72 (4) ◽  
Author(s):  
S. van Gemmert ◽  
G. T. Barkema ◽  
Sanjay Puri
Keyword(s):  
Monte Carlo ◽  
Phase Separation ◽  
Surface Diffusion ◽  
Monte Carlo Study

Ordering and phase separation in Gd-doped ceria: a combined DFT, cluster expansion and Monte Carlo study

2017 ◽  
Vol 19 (39) ◽  
pp. 26606-26620 ◽  
Author(s):  
Pjotrs A. Žguns ◽  
Andrei V. Ruban ◽  
Natalia V. Skorodumova
Keyword(s):  
Density Functional Theory ◽  
Monte Carlo ◽  
Phase Separation ◽  
Dft Calculations ◽  
Cluster Expansion ◽  
Density Functional ◽  
Oxygen Vacancies ◽  
Monte Carlo Study ◽  
Doped Ceria ◽  
Functional Theory

Ordering of dopants and oxygen vacancies is studied for Gd-doped ceria (xGd ≤ 0.25) by means of a combined density functional theory (DFT) and cluster expansion approach, where the cluster interactions derived from DFT calculations are further used in Monte Carlo simulations.

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