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 78
... Approximation Struc . ( Energy in Ry ) up to μ up to μ22 EB -0.8256 -0.8300 bcc ER 0.2938 0.2962 ETot -0.5318 -0.5338 EB -0.7866 -0.7916 fcc ER 0.2877 0.2901 Ετοι -0.4985 -0.5015 Ев -0.8252 -0.8363 A15 ER 0.3129 0.3153 ETot -0.5123 ...
... Approximation Struc . ( Energy in Ry ) up to μ up to μ22 EB -0.8256 -0.8300 bcc ER 0.2938 0.2962 ETot -0.5318 -0.5338 EB -0.7866 -0.7916 fcc ER 0.2877 0.2901 Ετοι -0.4985 -0.5015 Ев -0.8252 -0.8363 A15 ER 0.3129 0.3153 ETot -0.5123 ...
Page 132
... approximation . These attempt to reproduce the series of calculations done using the mean - field [ 23 ] and CVM pair [ 24 ] approximations . The purpose of such duplication was necessary to ensure the validity of the present approach ...
... approximation . These attempt to reproduce the series of calculations done using the mean - field [ 23 ] and CVM pair [ 24 ] approximations . The purpose of such duplication was necessary to ensure the validity of the present approach ...
Page 139
... approximations have to be made . The approximation that we choose to make is illustrated in Fig . 2. The electronic states are calculated by multiple - scattering theory5 for a system in which the A and B atoms on a cluster of states ...
... approximations have to be made . The approximation that we choose to make is illustrated in Fig . 2. The electronic states are calculated by multiple - scattering theory5 for a system in which the A and B atoms on a cluster of states ...
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 |