Atomistic Monte Carlo simulation of cis-1,4 polyisoprene melts. II. Parallel tempering end-bridging Monte Carlo simulations

2001 ◽  
Vol 115 (24) ◽  
pp. 11352-11361 ◽  
Author(s):  
M. Doxastakis ◽  
V. G. Mavrantzas ◽  
D. N. Theodorou
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Parallel Tempering

Gibbs-ensemble Monte Carlo simulation of H2–H2O mixtures

2021 ◽  
Author(s):  
Armin Bergermann ◽  
Martin French ◽  
Ronald Redmer
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Giant Planets ◽  
Gibbs Ensemble ◽  
Miscibility Gap ◽  
Ensemble Monte Carlo ◽  
Ensemble Monte Carlo Simulation ◽  
Gibbs Ensemble Monte Carlo

The miscibility gap in H2–H2O mixtures is investigated by conducting Gibbs-ensemble Monte Carlo simulations. Our results indicate that H2–H2O immiscibility regions may have a significant impact on the structure and evolution of ice giant planets.

Comparison of Experiment With Monte Carlo Simulations on a Reflective Gap Using a Detailed Surface Properties Model

1996 ◽  
Vol 118 (2) ◽  
pp. 388-393 ◽  
Author(s):  
J. Zaworski ◽  
J. R. Welty ◽  
B. J. Palmer ◽  
M. K. Drost
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Grazing Angle ◽  
Incident Radiation ◽  
Monte Carlo Code ◽  
Bidirectional Reflectance Distribution Function ◽  
Bidirectional Reflectance ◽  
Detailed Surface ◽  
Bidirectional Reflectance Distribution

The spatial distribution of light through a rectangular gap bounded by highly reflective, diffuse surfaces was measured and compared with the results of Monte Carlo simulations. Incorporating radiant properties for real surfaces into a Monte Carlo code was seen to be a significant problem; a number of techniques for accomplishing this are discussed. Independent results are reported for measured values of the bidirectional reflectance distribution function over incident polar angles from 0 to 90 deg for a semidiffuse surface treatment (Krylon™ flat white spray paint). The inclusion of this information into a Monte Carlo simulation yielded various levels of agreement with experimental results. The poorest agreement occurred when the incident radiation was at a grazing angle with respect to the surface and the reflectance was nearly specular.

scholarly journals Finite Systems under Pressure: Assessing Volume Definition Models from Parallel-Tempering Monte Carlo Simulations

2020 ◽  
Vol 124 (20) ◽  
pp. 4036-4047
Author(s):  
Aleš Vítek ◽  
Daniel J. Arismendi-Arrieta ◽  
Martina Šarmanová ◽  
René Kalus ◽  
Rita Prosmiti
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Parallel Tempering ◽  
Finite Systems

scholarly journals MONTE CARLO SIMULATION OF ISING MODEL ON DIRECTED BARABASI–ALBERT NETWORK

2005 ◽  
Vol 16 (04) ◽  
pp. 585-589 ◽  
Author(s):  
MUNEER A. SUMOUR ◽  
M. M. SHABAT
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Ising Model ◽  
Monte Carlo Simulations ◽  
Characteristic Time ◽  
Spontaneous Magnetization ◽  
Zero Temperature ◽  
Different Temperatures ◽  
Large Systems ◽  
Ising Spins

The existence of spontaneous magnetization of Ising spins on directed Barabasi–Albert networks is investigated with seven neighbors, by using Monte Carlo simulations. In large systems, we see the magnetization for different temperatures T to decay after a characteristic time τ(T), which is extrapolated to diverge at zero temperature.

Hyper-parallel tempering Monte Carlo simulations of Ar adsorption in new models of microporous non-graphitizing activated carbon: effect of microporosity

2007 ◽  
Vol 19 (40) ◽  
pp. 406208 ◽  
Author(s):  
Artur P Terzyk ◽  
Sylwester Furmaniak ◽  
Piotr A Gauden ◽  
Peter J F Harris ◽  
Jerzy Włoch ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Activated Carbon ◽  
Monte Carlo Simulations ◽  
Parallel Tempering ◽  
New Models

20206 Parallel Tempering Monte Carlo simulations of membrane models

2014 ◽  
Vol 2014.20 (0) ◽  
pp. _20206-1_-_20206-2_
Author(s):  
Satoshi USUI ◽  
Tatsunari HANAZONO ◽  
Hiroshi KOIBUCHI
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Parallel Tempering ◽  
Membrane Models

scholarly journals RECYCLE OF RANDOM SEQUENCES

1993 ◽  
Vol 04 (03) ◽  
pp. 569-590 ◽  
Author(s):  
NOBUYASU ITO ◽  
MACOTO KIKUCHI ◽  
YUTAKA OKABE
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Random Sequence ◽  
Random Sequences

The correlation between a random sequence and its transformed sequences is studied. In the case of a permutation operation or, in other words, the shuffling operation, it is shown that the correlation can be so small that the sequences can be regarded as independent random sequences. The applications to the Monte Carlo simulations are also given. This method is especially useful in the Ising Monte Carlo simulation.

scholarly journals Examining the effect of hydroxyl groups on the thermal properties of polybenzoxazines: using molecular design and Monte Carlo simulation

RSC Advances ◽  
2018 ◽  
Vol 8 (32) ◽  
pp. 18038-18050 ◽  
Author(s):  
Kan Zhang ◽  
Lu Han ◽  
Yijing Nie ◽  
Matthew Louis Szigeti ◽  
Hatsuo Ishida
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Thermal Properties ◽  
Monte Carlo Simulations ◽  
Molecular Interactions ◽  
Molecular Design ◽  
Hydroxyl Groups ◽  
Structure Property ◽  
First Report ◽  
Structure Property Relationship

This article is the first report on understanding the structure-property relationship between molecular interactions and thermal properties of polybenzoxazines by Monte Carlo simulations.

Parallel tempering Monte Carlo simulations of the water heptamer anion

2008 ◽  
Vol 455 (4-6) ◽  
pp. 135-138 ◽  
Author(s):  
Albert DeFusco ◽  
Thomas Sommerfeld ◽  
Kenneth D. Jordan
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Parallel Tempering
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