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 36
... predict a smaller lattice constant for Al3Li than the bulk Al , but the decrease is much too small . The decrease predicted by the charge - neutral calculations done with CC is about 0.009 % and is closer to the experimental value . The ...
... predict a smaller lattice constant for Al3Li than the bulk Al , but the decrease is much too small . The decrease predicted by the charge - neutral calculations done with CC is about 0.009 % and is closer to the experimental value . The ...
Page 37
... predictions of equilibrium lattice constants are concerned . Next we discuss the energetics of these alloys as predicted by equivolume and charge - neutral calculations . Again , we find that the phase sta- bility predicted by charge ...
... predictions of equilibrium lattice constants are concerned . Next we discuss the energetics of these alloys as predicted by equivolume and charge - neutral calculations . Again , we find that the phase sta- bility predicted by charge ...
Page 238
... predicted for FeAl as a function of stoichiometry and temperature ( 19 ) . Fu et al . ( 14 ) , in their local - density - functional ( LDF ) study of point defects in FeAl , considered all possible types of isolated point defects ...
... predicted for FeAl as a function of stoichiometry and temperature ( 19 ) . Fu et al . ( 14 ) , in their local - density - functional ( LDF ) study of point defects in FeAl , considered all possible types of isolated point defects ...
Contents
CONSEQUENCES OF OSCILLATORY POTENTIALS AND ANGULAR | 13 |
FIRSTPRINCIPLES TIGHTBINDING TOTAL ENERGY | 25 |
Contributed Papers | 33 |
Copyright | |
30 other sections not shown
Common terms and phrases
10Ti alloy Acta Metall Al-Li 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 measured 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 |