Bugaev V. Reciprocal-space study of the temperature-dependent effects in the atomic strain-induced interaction in alloys

Українська версія

Thesis for the degree of Doctor of Science (DSc)

State registration number

0507U000029

Thesis Registration Form

0507U000029.pdf

Applicant for

Specialization

  • 01.04.07 - Фізика твердого тіла

26-12-2006

Specialized Academic Board

Д 26.168.02

G. V. Kurdyumov IMPh of the N.A.S.U.

Essay

Dissertation is devoted to the development of the theory of strain-induced interaction in general case of alloys with polyatomic basis and its application in studies of the temperature-dependent effects of the strain-induced interaction in real alloys. Within the first-principles alloy theory, a new approach is proposed, which consists in application of the reciprocal-space formalism for the cluster expansion of the alloy configurational Hamiltonian with the many-body force parameterization of the relaxation energies for the struc-tures. As a result, in the case of alloys with atomic size mismatch, the principle problem of the slow convergence of traditional cluster expansion, represented in terms of the energy parameters of atomic interaction, is solved.

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Files

Avtoreferat.doc

Avtoreferat.doc

Avtoreferat2.doc

Version2.pdf

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