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 27
... parameters are given by and hijaß = | Þ¦‚¤ ; ß dr ( 5 ) Oijaß = √ ÞiaÞjø dr . ( 6 ) In parametrized tight - binding methods [ 7 ] the hijap and Oijas are treated as parameters . These parameters are set to zero if the distance between ...
... parameters are given by and hijaß = | Þ¦‚¤ ; ß dr ( 5 ) Oijaß = √ ÞiaÞjø dr . ( 6 ) In parametrized tight - binding methods [ 7 ] the hijap and Oijas are treated as parameters . These parameters are set to zero if the distance between ...
Page 28
... parameters hijaß and Oijaß and pair potential parameters are chosen to obtain the best fit to both the total energies and the eigenvalues . We will briefly describe these methods in this section , and later show how these methods can be ...
... parameters hijaß and Oijaß and pair potential parameters are chosen to obtain the best fit to both the total energies and the eigenvalues . We will briefly describe these methods in this section , and later show how these methods can be ...
Page 260
... parameters are rather insensitive to small changes in the temperature factors . From measurements of the integrated x - ray intensities at two or more x - ray energies , the two parameters given in Eq . 2 are recovered . Details of ...
... parameters are rather insensitive to small changes in the temperature factors . From measurements of the integrated x - ray intensities at two or more x - ray energies , the two parameters given in Eq . 2 are recovered . Details of ...
Contents
CONSEQUENCES OF OSCILLATORY POTENTIALS AND ANGULAR | 13 |
FIRSTPRINCIPLES TIGHTBINDING TOTAL ENERGY | 25 |
Contributed Papers | 33 |
Copyright | |
29 other sections not shown
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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 |