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 26
... first principles , thus providing not only interpretation of experiments but also predictive capabilities , which may lead to the discovery of new materials . First - principles electronic structure calculations are limited by the ...
... first principles , thus providing not only interpretation of experiments but also predictive capabilities , which may lead to the discovery of new materials . First - principles electronic structure calculations are limited by the ...
Page 100
... first- principle , ' local - density - functional - theory calculations of ... principles implementation of the concentration- wave method , as originally ... principles for the concentration - wave ( CW ) method were developed by ...
... first- principle , ' local - density - functional - theory calculations of ... principles implementation of the concentration- wave method , as originally ... principles for the concentration - wave ( CW ) method were developed by ...
Page 108
... first - principles approaches . The benefits of doing ab - initio phase diagram computations will be significantly larger in ternary systems . Since few ternary phase diagrams have been explored in detail with experimental techniques , ...
... first - principles approaches . The benefits of doing ab - initio phase diagram computations will be significantly larger in ternary systems . Since few ternary phase diagrams have been explored in detail with experimental techniques , ...
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 |