Lattice relaxation influence on mixing energy and configurational interactions in alloys: cluster calculations for diluted BCC alloys Ti1-xVx

S. V. Bejden; V. G. Vaks; N. E. Zejn; G. D. Samolyuk

Lattice relaxation influence on mixing energy and configurational interactions in alloys: cluster calculations for diluted BCC alloys Ti_1-xV_x

S. V. Bejden, V. G. Vaks, N. E. Zejn, G. D. Samolyuk

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2 Scopus citations

Abstract

Self-consistent cluster calculations of dissolution energy (Q) and configurational interaction constants (Vi) for Ti_1-xV_x diluted BCC alloys have been accomplished by LMTO-ASA method. Lattice relaxation effects have been described using proper selection of atomic volumes of impurity and neighbouring atoms which are evaluated phenomenologically. Lattice relaxation effects in Ti-V system is found to be considerable whereas charge transport effects are insignificant. Comparison of microscopical examination results with phenomenological estimates shows that these latter overstate contribution of deformation to Q and V; values by a factor of 2.

Original language	English
Pages (from-to)	17-30
Number of pages	14
Journal	Fizika Metallov i Metallovedenie
Volume	77
Issue number	5
State	Published - May 1994
Externally published	Yes

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abstract = "Self-consistent cluster calculations of dissolution energy (Q) and configurational interaction constants (Vi) for Ti1-xVx diluted BCC alloys have been accomplished by LMTO-ASA method. Lattice relaxation effects have been described using proper selection of atomic volumes of impurity and neighbouring atoms which are evaluated phenomenologically. Lattice relaxation effects in Ti-V system is found to be considerable whereas charge transport effects are insignificant. Comparison of microscopical examination results with phenomenological estimates shows that these latter overstate contribution of deformation to Q and V; values by a factor of 2.",

author = "Bejden, {S. V.} and Vaks, {V. G.} and Zejn, {N. E.} and Samolyuk, {G. D.}",

year = "1994",

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T1 - Lattice relaxation influence on mixing energy and configurational interactions in alloys

T2 - cluster calculations for diluted BCC alloys Ti1-xVx

AU - Bejden, S. V.

AU - Vaks, V. G.

AU - Zejn, N. E.

AU - Samolyuk, G. D.

PY - 1994/5

Y1 - 1994/5

N2 - Self-consistent cluster calculations of dissolution energy (Q) and configurational interaction constants (Vi) for Ti1-xVx diluted BCC alloys have been accomplished by LMTO-ASA method. Lattice relaxation effects have been described using proper selection of atomic volumes of impurity and neighbouring atoms which are evaluated phenomenologically. Lattice relaxation effects in Ti-V system is found to be considerable whereas charge transport effects are insignificant. Comparison of microscopical examination results with phenomenological estimates shows that these latter overstate contribution of deformation to Q and V; values by a factor of 2.

AB - Self-consistent cluster calculations of dissolution energy (Q) and configurational interaction constants (Vi) for Ti1-xVx diluted BCC alloys have been accomplished by LMTO-ASA method. Lattice relaxation effects have been described using proper selection of atomic volumes of impurity and neighbouring atoms which are evaluated phenomenologically. Lattice relaxation effects in Ti-V system is found to be considerable whereas charge transport effects are insignificant. Comparison of microscopical examination results with phenomenological estimates shows that these latter overstate contribution of deformation to Q and V; values by a factor of 2.

UR - http://www.scopus.com/inward/record.url?scp=0028440040&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0028440040

SN - 0015-3230

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SP - 17

EP - 30

JO - Fizika Metallov i Metallovedenie

JF - Fizika Metallov i Metallovedenie

IS - 5

ER -

Lattice relaxation influence on mixing energy and configurational interactions in alloys: cluster calculations for diluted BCC alloys Ti_1-xV_x

Abstract

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