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Exact computation of the mobility of a diffusing particle in a defective lattice gas under an external field

L F Perondi

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We give a method for the exact computation of the mobility of a particle diffusing in a lattice gas with defects. We describe the method by considering its application to the computation of the mobility of a particle diffusing in a lattice with defects in the form of dead-ends. The mobility initially increases linearly with field intensity, then crosses over to a nonlinear behaviour and reaches a maximum. Beyond this point the mobility decreases with increasing field intensity, showing an anomalous behaviour which may be attributed to partial confinement imposed by the field. The proposed method is general and may be applied to the computation of arbitrary moments of the probability function of a single particle diffusing in a lattice gas with defects of arbitrary characteristics.


PACS

66.30.Dn Theory of diffusion and ionic conduction in solids

61.43.Bn Structural modeling: serial-addition models, computer simulation

Subjects

Condensed matter: structural, mechanical & thermal

Dates

Issue 49 (14 December 2005)

Received 4 July 2005, in final form 26 September 2005

Published 25 November 2005



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