## 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, 1993 |

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Results 1-3 of 18

Page 52

X W X u X u FIGURE 3: The loci of the maxima in the Bloch spectral function at

the Fermi energy for Ag - 20 at.% Mg in (a) the TXWK and (b) the TXULK planes

in the fee Brillouin zone. The

...

X W X u X u FIGURE 3: The loci of the maxima in the Bloch spectral function at

the Fermi energy for Ag - 20 at.% Mg in (a) the TXWK and (b) the TXULK planes

in the fee Brillouin zone. The

**Fermi surfaces**of the alloys have similar topologies...

Page 105

Interestingly, such contributions are found, not over large regions of reciprocal

space as in

around the Fermi level and localized in reciprocal space near the X- and L-points

.

Interestingly, such contributions are found, not over large regions of reciprocal

space as in

**Fermi**-**surface**nesting cases, but over regions of energy spacearound the Fermi level and localized in reciprocal space near the X- and L-points

.

Page 254

In addition to that, if the

generalized susceptibility x(Q) is divergent, this strong electron-phonon

interaction can soften a certain phonon mode, driving the corresponding

structural phase ...

In addition to that, if the

**Fermi surface**has a special geometry so that thegeneralized susceptibility x(Q) is divergent, this strong electron-phonon

interaction can soften a certain phonon mode, driving the corresponding

structural phase ...

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### Contents

ELECTRONIC STRUCTURE AND STABILITY OF SIMPLE | 75 |

SPINPOLARIZED KKRCPA CALCULATIONS | 81 |

STRUCTURAL STABILITY OF TRANSITION METAL | 91 |

Copyright | |

23 other sections not shown

### Common terms and phrases

Acta Metall Al-Li Alloy Modeling Alloy Phase alloys annealing APB energy approximation atom probe atoms band structure behavior binary alloys calculations charge-neutral cluster expansion composition computed configuration correlations density Design Edited dislocation displacement ductility Edited by CM 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 constant Lett magnetic Materials Science Materials Society matrix measured Metals & Materials metastable method Modeling and Design nearest neighbor Ni3Al NiAl obtained ordered phase diagram phase stability phonon Phys plane point defects potential predicted samples screw shown in Fig simulations solid solution stoichiometry sublattice techniques ternary ternary additions theory thermal tight-binding total energy transition metal trialuminides Turchi The Minerals unit cell vibrational x-ray