Alloy Modeling & Design: Proceedings of a Symposium Sponsored by the TMS Structural Materials Division (SMD), the Committee on Alloy Phases (CAP), and the Electronic, Magnetic and Photonic Materials Division (EMPMD), the Oak Ridge National Laboratory and the Lawrence Livermore National Laboratory, Held During Materials Week '93, Pittsburgh, Pennsylvania, October 18-20, 1993
G. M. Stocks, Patrice E. A. Turchi
TMS, 1994 - Alloys - 325 pages
This work brings together contributions from researchers in a variety of fields that have a common interest in applying the most recent developments in basic research to the design of new alloys. The papers are from Materials Week '93 held in Pittsburgh, Pennsylvania, October 17-21, 1993.
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CONSEQUENCES OF OSCILLATORY POTENTIALS AND ANGULAR
FIRSTPRINCIPLES TIGHTBINDING TOTAL ENERGY
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addition aging agreement alloys applications approach approximation atoms average band behavior binary bonding boundary calculations cell cluster compared composition compounds computed concentration configuration consistent constants contribution correlation crystal defects density dependence described determined diffraction discussed dislocation disordered displacement distance effect elastic electronic electronic structure elements energy expansion experiment experimental FeAl Figure formation function given grain boundaries important included increase indicates interactions intermetallic lattice magnetic Materials matrix measured mechanical Metals method neighbor NiAl NizAl observed obtained occupation ordered orientation pair parameters phase diagram Phys plane potential predicted present properties range References relative respectively samples scattering Science shown simulations solid solution stability Stocks strength stress structure surface Table techniques temperature ternary theory total energy transition vacancy vibrational volume x-ray yield