This title appears in the Scientific Report :
2006
Please use the identifier:
http://hdl.handle.net/2128/7666 in citations.
Please use the identifier: http://dx.doi.org/10.1103/PhysRevB.73.245419 in citations.
Atom diffusion in a simple cubic lattice: Real-space renormalization group and Monte Carlo calculations
Atom diffusion in a simple cubic lattice: Real-space renormalization group and Monte Carlo calculations
A three-dimensional simple cubic lattice gas is investigated by using the real-space renormalization group (RSRG) approach with blocks of different size and symmetries. We have calculated absorption isotherms and density dependencies of the pair correlation function, isothermal susceptibility, chemi...
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Personal Name(s): | Tarasenko, N. |
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Jastrabik, L. / Müller, T. / Tarasenko, A. | |
Contributing Institute: |
Zentralinstitut für Angewandte Mathematik; ZAM |
Published in: | Physical Review B Physical review / B, 73 73 (2006 2006) 24 24, S. 245419 245419 |
Imprint: |
College Park, Md.
APS
2006
|
Physical Description: |
245419 |
DOI: |
10.1103/PhysRevB.73.245419 |
Document Type: |
Journal Article |
Research Program: |
Scientific Computing |
Series Title: |
Physical Review B
73 |
Subject (ZB): | |
Link: |
Get full text OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://dx.doi.org/10.1103/PhysRevB.73.245419 in citations.
A three-dimensional simple cubic lattice gas is investigated by using the real-space renormalization group (RSRG) approach with blocks of different size and symmetries. We have calculated absorption isotherms and density dependencies of the pair correlation function, isothermal susceptibility, chemical and jump diffusion coefficients for different temperatures. All these quantities have also been obtained by Monte Carlo (MC) simulations. We have also obtained the density dependencies for the tracer diffusion coefficient by MC simulations. Despite the fact that both methods constitute very different approaches, the correspondence of numerical data and theoretical results is rather good. We conclude that the RSRG method can be applied to the three-dimensional lattice gas system discussed here to characterize its thermodynamic and kinetic properties. |