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
addition aging agreement alloys approach approximation atoms average band behavior binary bonding boundary calculations cell chemical cluster compared composition compounds computed concentration configuration consistent contribution correlation crystal defects density dependence described determined diffraction discussed dislocation disordered displacement distance effect elastic electronic electronic structure elements energy expansion experiment experimental FeAl Figure formation function given grain boundaries important included increase indicates interactions intermetallic lattice magnetic Materials matrix measured mechanical Metals method neighbor NiAl observed obtained occupation ordered orientation pair parameters phase diagram Phys Physics plane potential predicted present properties range References relative respectively samples scattering Science shown simulations solid solution stability Stocks strain strength stress structure surface Table techniques temperature ternary theory total energy transition vacancy vibrational volume x-ray yield
References to this book
Encyclopedia of Applied Physics, Volume 18 George L. Trigg,Eduardo S. Vera,Walter Greulich No preview available - 1997 |