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, 1993G. M. Stocks, Patrice E. A. Turchi 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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Page 123
... free energy which arise from vibrational excitations and structural relaxations . Computational Approach The computational approach taken in this study was described in detail in Refs . 7 and 8 , and it will only be very briefly ...
... free energy which arise from vibrational excitations and structural relaxations . Computational Approach The computational approach taken in this study was described in detail in Refs . 7 and 8 , and it will only be very briefly ...
Page 124
... free energy arising from structual relaxations as well as the contributions due to vibrations were neglected . ( b ) Cd - Mg phase diagram calculated by the CVM including the relaxation energy and the contributions to the free energy ...
... free energy arising from structual relaxations as well as the contributions due to vibrations were neglected . ( b ) Cd - Mg phase diagram calculated by the CVM including the relaxation energy and the contributions to the free energy ...
Page 150
... free energy between ordered and disordered phases . The free energy contains various parts : the enthalpy can be calculated by electronic structure calculation , and these results can be used to develop potential models from which the ...
... free energy between ordered and disordered phases . The free energy contains various parts : the enthalpy can be calculated by electronic structure calculation , and these results can be used to develop potential models from which the ...
Contents
CONSEQUENCES OF OSCILLATORY POTENTIALS AND ANGULAR | 13 |
FIRSTPRINCIPLES TIGHTBINDING TOTAL ENERGY | 25 |
Contributed Papers | 33 |
Copyright | |
29 other sections not shown
Common terms and phrases
10Ti alloy Acta Metall Al-Li Al3Ti Alloy Modeling Alloy Phase alloys annealing APB energy approximation atom probe behavior binary alloys cluster expansion composition computed configuration density Design Edited dislocation displacement ductility Edited by G.M. effect elastic constants electronic structure entropy equivolume expansion experimental FeAl Fermi energy Fermi surface Figure first-principles formation energy free energy friction stress G.M. Stocks glide plane grain boundaries Grand Potential Hamiltonian increase intermetallic compounds Ising model lattice constants lattice parameter Lett magnetic Materials Science Materials Society matrix Metals & Materials method Modeling and Design nearest neighbor Ni3Al NiAl obtained ordered P.E.A. Turchi phase diagram phase stability phonon Phys plane point defects potential predicted samples screw shown in Fig simulations solid solution Stocks and P.E.A. stoichiometry sublattice techniques ternary theory thermal tight-binding total energy transition metal trialuminides Turchi The Minerals unit cell vibrational x-ray
References to this book
Encyclopedia of Applied Physics, Volume 18 George L. Trigg,Eduardo S. Vera,Walter Greulich No preview available - 1997 |