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 69
... atomic energy levels and the two - center integrals for host atoms of Ni and Al in the NiŠ·Al crystal are obtained from the 1st principle calculations [ 9 ] . The two center integrals between a transition metal impurity , I , and host atoms ...
... atomic energy levels and the two - center integrals for host atoms of Ni and Al in the NiŠ·Al crystal are obtained from the 1st principle calculations [ 9 ] . The two center integrals between a transition metal impurity , I , and host atoms ...
Page 139
... atoms on a regular lattice . The substitu- tion of an A atom with a B atom is indi- cated by the arrow . Figure 2. An illustration of the approxi- mate calculation of SHK . The dark and light spheres represent A and B atoms , and the ...
... atoms on a regular lattice . The substitu- tion of an A atom with a B atom is indi- cated by the arrow . Figure 2. An illustration of the approxi- mate calculation of SHK . The dark and light spheres represent A and B atoms , and the ...
Page 142
... atoms on the nearest neighbor shell that are of a specified type . Of course , the number of atoms of the other type is just 12 - n . For the simple case of a nearest - neighbor Ising model , all of the SH would fall on a straight line ...
... atoms on the nearest neighbor shell that are of a specified type . Of course , the number of atoms of the other type is just 12 - n . For the simple case of a nearest - neighbor Ising model , all of the SH would fall on a straight line ...
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 |