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 4
... oxides , and carbides . However , as originally pointed out by Car and Parrinello , large basis sets can be handled because only about 1 % of the eigenvalues need to be computed . In addition , progress has been made in reducing the ...
... oxides , and carbides . However , as originally pointed out by Car and Parrinello , large basis sets can be handled because only about 1 % of the eigenvalues need to be computed . In addition , progress has been made in reducing the ...
Page 92
... oxides , carbides and nitrides of transition metals in the NaCl - type structure have been reported using APW and LAPW methods . Some of these materials are superconductors with a transition temperature as high as 18K ( Niobium ...
... oxides , carbides and nitrides of transition metals in the NaCl - type structure have been reported using APW and LAPW methods . Some of these materials are superconductors with a transition temperature as high as 18K ( Niobium ...
Page 166
... oxide scale . Theoretical studies of thermal expansion of transition metal alloys are of basic scientific interest and also provide important in- formation guiding the development of practical alloys . With the advantage of simplicity ...
... oxide scale . Theoretical studies of thermal expansion of transition metal alloys are of basic scientific interest and also provide important in- formation guiding the development of practical alloys . With the advantage of simplicity ...
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 |