Comparison of pair potential and thermochemical models of the heat of formation of BCC and FCC alloys

Dunbar P Birnie, E. S. Machlin, Larry Kaufman, Keith Taylor

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

Data bases covering the thermochemical properties of solid solution phases are being assembled for a wide variety of applications. Such activities are often hampered by limitations on available experimental data and fundamental methods for estimating missing information. To bridge this gap the pair potential model has been developed and refined and is compared here with results drawn from thermochemical and phase diagram analysis of the heat of formation of bcc and fcc alloys. A computer program is presented providing a means for calculating the heat of formation for binary systems composed of twenty-seven elements. The results are compared with thermochemical values for sixty-six binary systems composed of all combinations of aluminum, cobalt, chromium, copper, iron, manganese, molybdenum, niobium, nickel, silicon, titanium and tungsten. The level of agreement provides a good measure of confidence in the usefulness of this pair potential model to obtain estimates for data which is otherwise available.

Original languageEnglish
Pages (from-to)93-126
Number of pages34
JournalCalphad
Volume6
Issue number2
DOIs
Publication statusPublished - 1982

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Niobium
Tungsten
Molybdenum
Chromium
Silicon
Manganese
Cobalt
Titanium
Nickel
Aluminum
Phase diagrams
Computer program listings
Copper
Solid solutions
Iron
Hot Temperature

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

Comparison of pair potential and thermochemical models of the heat of formation of BCC and FCC alloys. / Birnie, Dunbar P; Machlin, E. S.; Kaufman, Larry; Taylor, Keith.

In: Calphad, Vol. 6, No. 2, 1982, p. 93-126.

Research output: Contribution to journalArticle

Birnie, Dunbar P ; Machlin, E. S. ; Kaufman, Larry ; Taylor, Keith. / Comparison of pair potential and thermochemical models of the heat of formation of BCC and FCC alloys. In: Calphad. 1982 ; Vol. 6, No. 2. pp. 93-126.
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