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A first-principles study of the phase stability of fcc-based Ti-Al alloys

Conference ·
OSTI ID:6987114
 [1];  [2];  [3];  [4]
  1. California Univ., Berkeley, CA (United States). Dept. of Materials Science and Mineral Engineering
  2. California Univ., Berkeley, CA (United States). Dept. of Materials Science and Mineral Engineering Lawrence Berkeley Lab., CA (United States)
  3. SRI International, Menlo Park, CA (United States)
  4. Lawrence Livermore National Lab., CA (Un
+ Show Author Affiliations
In this paper we present results of a first-principles phase stability study of fcc-based Ti-Al alloys. In particular the full-potential linear muffin tin orbital method has been used to determine heats of format on and other zero-temperature properties of 9 fcc ordered superstructures as well as fcc and hcp Ti, and fcc Al. From these results a set of effective cluster interactions are determined which are used in a cluster variation method calculation of the thermodynamic properties and the composition-temperature phase diagram of fcc-based alloys.
Research Organization:
Lawrence Berkeley Lab., CA (United States)
Sponsoring Organization:
DOE; USDOE, Washington, DC (United States)
DOE Contract Number:
AC03-76SF00098
OSTI ID:
6987114
Report Number(s):
LBL-32830; CONF-920402--62; ON: DE93002549
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
360102* -- Metals & Alloys-- Structure & Phase Studies
665000 -- Physics of Condensed Matter-- (1992-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALLOYS
ALUMINIUM ALLOYS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
DIAGRAMS
ENERGY
ENTHALPY
FCC LATTICES
FORMATION HEAT
MECHANICS
PHASE DIAGRAMS
PHASE STABILITY
PHYSICAL PROPERTIES
REACTION HEAT
STABILITY
STATISTICAL MECHANICS
THERMODYNAMIC PROPERTIES
TITANIUM ALLOYS