Lattice polymers with structured monomers: A Monte Carlo study of thermodynamic properties of melts and solutions

2002 ◽  
Vol 116 (24) ◽  
pp. 10959-10966 ◽  
Author(s):  
Dorel Buta ◽  
Karl F. Freed
Keyword(s):  
Monte Carlo ◽  
Thermodynamic Properties ◽  
Monte Carlo Study ◽  
Lattice Polymers

scholarly journals THERMODYNAMIC PROPERTIES OF A TRAPPED BOSE GAS: A DIFFUSION MONTE CARLO STUDY

2008 ◽  
Vol 22 (24) ◽  
pp. 4261-4273 ◽  
Author(s):  
S. DATTA
Keyword(s):  
Monte Carlo ◽  
Thermodynamic Properties ◽  
Temperature Variation ◽  
Quantum Monte Carlo ◽  
Chemical Potential ◽  
Monte Carlo Study ◽  
Bose Gas ◽  
Diffusion Monte Carlo ◽  
Frequency Shifts ◽  
Realistic Potential

We investigate the thermodynamic properties of a trapped Bose gas of Rb atoms interacting through a repulsive potential at low but finite temperature (kBT < μ < Tc) by Quantum Monte Carlo method based upon the generalization of Feynman-Kac method1-3 applicable to many-body systems at T=0 to finite temperatures. In this paper, we report temperature variation of condensation fraction, chemical potential, density profile, total energy of the system, release energy, frequency shifts and moment of inertia within the realistic potential model (Morse type) for the first time by diffusion Monte Carlo technique. The most remarkable success was in achieving the same trend in the temperature variation of frequency shifts as was observed in JILA4 for both m=2 and m=0 modes. For other things, we agree with the work of Giorgini et al.,5 Pitaevskii et al.6 and Krauth.7

Grand ensemble Monte Carlo study of crystallization in sub-monolayer adsorption at a solid vapour interface

1978 ◽  
Vol 31 (5) ◽  
pp. 933 ◽  
Author(s):  
JE Lane ◽  
TH Spurling
Keyword(s):  
Monte Carlo ◽  
Adsorption Isotherm ◽  
Thermodynamic Properties ◽  
Boundary Conditions ◽  
Iterative Procedure ◽  
Periodic Boundary ◽  
Monte Carlo Study ◽  
Periodic Boundary Conditions ◽  
Ensemble Monte Carlo ◽  
Monolayer Adsorption

A grand ensemble Monte Carlo procedure is used to examine the thermodynamic properties of a crystal-like layer of krypton adsorbed at sub-monolayer coverages on graphite at 90.12 K. The effect of the periodic boundary conditions on these properties is discussed and used to develop a thermodynamically consistent iterative procedure to estimate the transition pressure and thereby fix the adsorption isotherm.

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