Atomistic Monte Carlo Simulations of Polymer Melt Elasticity:  Their Nonequilibrium Thermodynamics GENERIC Formulation in a Generalized Canonical Ensemble

Vlasis G. Mavrantzas; Hans Christian Öttinger

doi:10.1021/ma010688f

Atomistic Monte Carlo Simulations of Polymer Melt Elasticity: Their Nonequilibrium Thermodynamics GENERIC Formulation in a Generalized Canonical Ensemble

Macromolecules ◽

10.1021/ma010688f ◽

2002 ◽

Vol 35 (3) ◽

pp. 960-975 ◽

Cited By ~ 43

Author(s):

Vlasis G. Mavrantzas ◽

Hans Christian Öttinger

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Nonequilibrium Thermodynamics ◽

Canonical Ensemble ◽

Polymer Melt ◽

Melt Elasticity ◽

Generalized Canonical Ensemble

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Parallel Prefetching for Canonical Ensemble Monte Carlo Simulations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c05242 ◽

2020 ◽

Author(s):

Harold Wickes Hatch

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Canonical Ensemble ◽

Ensemble Monte Carlo

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Monte Carlo simulations of small water clusters: microcanonical vs canonical ensemble

Chemical Physics Letters ◽

10.1016/s0009-2614(02)00981-8 ◽

2002 ◽

Vol 361 (3-4) ◽

pp. 291-297 ◽

Cited By ~ 19

Author(s):

M.A. Carignano

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Canonical Ensemble ◽

Water Clusters ◽

Small Water

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Taylor-Expansion Monte Carlo Simulations of Classical Fluids in the Canonical and Grand Canonical Ensemble

Journal of Computational Physics ◽

10.1006/jcph.1995.1087 ◽

1995 ◽

Vol 118 (1) ◽

pp. 159-171 ◽

Cited By ~ 9

Author(s):

Martin Schoen

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Taylor Expansion ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Classical Fluids ◽

Grand Canonical

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A study of first- and second-order phase transitions using Monte Carlo simulations in the micro-canonical ensemble

Physics Letters A ◽

10.1016/0375-9601(85)90632-2 ◽

1985 ◽

Vol 111 (6) ◽

pp. 299-303 ◽

Cited By ~ 32

Author(s):

R. Harris

Keyword(s):

Monte Carlo ◽

Phase Transitions ◽

Monte Carlo Simulations ◽

Canonical Ensemble ◽

Second Order

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Canonical and grand canonical ensemble expectation values from quantum Monte Carlo simulations

Physical Review B ◽

10.1103/physrevb.68.045120 ◽

2003 ◽

Vol 68 (4) ◽

Cited By ~ 2

Author(s):

R. D. Sedgewick ◽

D. J. Scalapino ◽

R. L. Sugar ◽

L. Capriotti

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Quantum Monte Carlo ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Expectation Values ◽

Quantum Monte Carlo Simulations ◽

Grand Canonical

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The Effect of Orientation Relaxation on Polymer Melt Crystallization Studied by Monte Carlo Simulations

Chinese Physics Letters ◽

10.1088/0256-307x/26/7/076103 ◽

2009 ◽

Vol 26 (7) ◽

pp. 076103

Author(s):

Wang Mao-Xiang

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Polymer Melt ◽

Melt Crystallization ◽

Orientation Relaxation

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Loop Updates for Quantum Monte Carlo Simulations in the Canonical Ensemble

Physical Review Letters ◽

10.1103/physrevlett.96.180603 ◽

2006 ◽

Vol 96 (18) ◽

Cited By ~ 27

Author(s):

S. M. A. Rombouts ◽

K. Van Houcke ◽

L. Pollet

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Quantum Monte Carlo ◽

Canonical Ensemble ◽

Quantum Monte Carlo Simulations

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Detailed atomistic Monte Carlo simulations of a polymer melt on a solid surface and around a nanoparticle

The Journal of Chemical Physics ◽

10.1063/1.3689316 ◽

2012 ◽

Vol 136 (9) ◽

pp. 094901 ◽

Cited By ~ 35

Author(s):

Yogendra Narayan Pandey ◽

Manolis Doxastakis

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Solid Surface ◽

Polymer Melt

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Grand Canonical Ensemble Monte Carlo Simulations of Donnan Potentials, Nonelectroneutrality, Activity Coefficients and Excess Energy in Spherical Charged or Uncharged Pores with Restricted Primitive Model Electrolytes

Molecular Simulation ◽

10.1080/08927029408021978 ◽

1994 ◽

Vol 13 (2) ◽

pp. 115-160 ◽

Cited By ~ 14

Author(s):

Sergio Roberto Rivera ◽

Torben Smith S⊘srensen

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Activity Coefficients ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Excess Energy ◽

Primitive Model ◽

Ensemble Monte Carlo ◽

Restricted Primitive Model ◽

Grand Canonical

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Grand canonical ensemble Monte Carlo simulations of adsorption in energetically heterogeneous slit-like pores

Thin Solid Films ◽

10.1016/0040-6090(94)90768-4 ◽

1994 ◽

Vol 249 (2) ◽

pp. 236-240 ◽

Cited By ~ 8

Author(s):

K Karykowski ◽

W Rżysko ◽

A Patrykiejew ◽

S Sokołowski

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Ensemble Monte Carlo ◽

Grand Canonical

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