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 34
... charge - neutral atomic spheres . Since the atomic sphere radius is not a variational parameter , calculations done with ( a ) are unreliable and , at times , can lead to uncontrolled error due to substantially increased overlap . The ...
... charge - neutral atomic spheres . Since the atomic sphere radius is not a variational parameter , calculations done with ( a ) are unreliable and , at times , can lead to uncontrolled error due to substantially increased overlap . The ...
Page 35
... charge - neutral calculations . Equivolume system atom 9 % qd Charge - Neutral qd Cu - Zn Cu 11.0646 11.0367 11.0015 11.0097 Ni - Pt Al - Li Ni 10.3509 10.1389 9.9913 10.0072 Al 2.8155 2.9273 2.9919 3.0009 charge - neutral atomic ...
... charge - neutral calculations . Equivolume system atom 9 % qd Charge - Neutral qd Cu - Zn Cu 11.0646 11.0367 11.0015 11.0097 Ni - Pt Al - Li Ni 10.3509 10.1389 9.9913 10.0072 Al 2.8155 2.9273 2.9919 3.0009 charge - neutral atomic ...
Page 38
... charge transfer , and hence charge - neutral calculations yield results that are not very different from equivolume calculations , as expected . This is confirmed by comparing the formation energies of ordered Cu3Zn and disordered Cuo ...
... charge transfer , and hence charge - neutral calculations yield results that are not very different from equivolume calculations , as expected . This is confirmed by comparing the formation energies of ordered Cu3Zn and disordered Cuo ...
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 |