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 51
... Fermi energy ( F ) for the alloy containing 20 at . % Mg in different sections of the fcc Brillouin zone . These were calculated using the self - consistent - field KKRCPA method within the semi - relativistic , muffin - tin and local ...
... Fermi energy ( F ) for the alloy containing 20 at . % Mg in different sections of the fcc Brillouin zone . These were calculated using the self - consistent - field KKRCPA method within the semi - relativistic , muffin - tin and local ...
Page 68
... energy by taking account of pairwise repulsive terms into the calculation sheme and easily deal with the case of ... Fermi energy and N is the number of atoms in a distrubing sphere around a single or couple of point defects introduced ...
... energy by taking account of pairwise repulsive terms into the calculation sheme and easily deal with the case of ... Fermi energy and N is the number of atoms in a distrubing sphere around a single or couple of point defects introduced ...
Page 84
... energy mesh for the contour integration in equation ( 4 ) con- tains 40 Gaussian quadrature points distributing ... Fermi energy . This peak corresponds to the states occupied by Ni 3d electrons and is responsible for the ferromagnetism ...
... energy mesh for the contour integration in equation ( 4 ) con- tains 40 Gaussian quadrature points distributing ... Fermi energy . This peak corresponds to the states occupied by Ni 3d electrons and is responsible for the ferromagnetism ...
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 |