Forward-backward transport theories of ion-solid interactions: Variational approach

Anil K. Prinja
Phys. Rev. B 39, 8858 – Published 1 May 1989
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Abstract

The relationship between the popular so-called backward or Lindhard-type transport equations for linear energetic cascades and the direct or forward Boltzmann equation description is rigorously examined for an arbitrary atomic species mix. A variational principle is systematically derived that characterizes the forward model with generalized boundary conditions (internal reflection at a free surface) and is extremized to yield self-consistently the adjoint equations and boundary conditions as components of the corresponding Euler-Lagrange system. The adjoint function is treated purely as a mathematical artifact, which follows naturally from the variational principle. Dubious physical arguments to assign adjoint boundary conditions are thereby avoided. A truly backward description is derived from the adjoint formalism, which under the assumption of space and time homogeneity, reduces to the familiar Lindhard form. The Lindhard-type equations are seen to be neither backward nor forward equations but assume a hybrid form. In contrast, the forward and truly backward (or adjoint) models are exact and of general validity. They are complementary approaches and thus describe a duality that is mediated by the variational principle.

  • Received 2 September 1988

DOI:https://doi.org/10.1103/PhysRevB.39.8858

©1989 American Physical Society

Authors & Affiliations

Anil K. Prinja

  • Chemical and Nuclear Engineering Department, University of New Mexico, Albuquerque, New Mexico 87131

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Issue

Vol. 39, Iss. 13 — 1 May 1989

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