Application of the Widom insertion formula to transition rates in a lattice

被引:6
作者
Di Muro, M. A. [1 ]
Hoyuelos, M. [1 ]
机构
[1] Univ Nacl Mar del Plata, Fac Ciencias Exactas & Nat, Dept Fis, Inst Invest Fis Mar del Plata IFIMAR CONICET, Funes 3350, RA-7600 Mar Del Plata, Argentina
关键词
SURFACE-DIFFUSION; SELF-DIFFUSION; GAS;
D O I
10.1103/PhysRevE.104.044104
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We consider diffusion of particles on a lattice in the so-called dynamical mean-field regime (memory effects are neglected). Interactions are local, that is, only among particles at the same lattice site. It is shown that a statistical mechanics analysis that combines detailed balance and Widom's insertion formula allows for the derivation of an expression for transition rates in terms of the excess chemical potential. The rates reproduce the known dependence of self-diffusivity as the inverse of the thermodynamic factor. Soft-core interactions and general forms of the excess chemical potential (linear, quadratic, and cubic with the density) are considered.
引用
收藏
页数:8
相关论文
共 26 条
[1]   Collective and single particle diffusion on surfaces [J].
Ala-Nissila, T ;
Ferrando, R ;
Ying, SC .
ADVANCES IN PHYSICS, 2002, 51 (03) :949-1078
[2]  
Antczak G., 2010, Surface Diffusion: Metals, Metal Atoms, and Clusters
[3]   Collective diffusion in a non-homogeneous interacting lattice gas [J].
Badowski, Lukasz ;
Zaluska-Kotur, Magdalena A. ;
Gortel, Zbigniew W. .
JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT, 2010,
[4]  
DARKEN LS, 1948, T AM I MIN MET ENG, V175, P184
[5]   Out-of-equilibrium Monte Carlo simulations of a classical gas with Bose-Einstein statistics [J].
Di Pietro Martinez, M. ;
Giuliano, M. ;
Hoyuelos, M. .
PHYSICAL REVIEW E, 2020, 102 (06)
[6]   Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factor [J].
Di Pietro Martinez, M. ;
Hoyuelos, M. .
PHYSICAL REVIEW E, 2019, 100 (02)
[7]   Mean-field approach to diffusion with interaction: Darken equation and numerical validation [J].
Di Pietro Martinez, M. ;
Hoyuelos, M. .
PHYSICAL REVIEW E, 2018, 98 (02)
[8]  
Di PietroMartinez M., 2019, J STAT MECH-THEORY E
[9]   SELF-DIFFUSION IN A 2D LATTICE GAS WITH LATERAL INTERACTIONS [J].
FERRANDO, R ;
SCALAS, E .
SURFACE SCIENCE, 1993, 281 (1-2) :178-190
[10]  
Gardiner C W, 1997, HDB STOCHASTIC METHO