## 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 |

### From inside the book

Results 1-3 of 30

Page 13

The first

transition-metal compounds and alloys. Using a combination of Green's function

analysis and pseudopotential perturbation theory, a set of potentials suitable for ...

The first

**application**involves "constant-volume" type potentials for Al-richtransition-metal compounds and alloys. Using a combination of Green's function

analysis and pseudopotential perturbation theory, a set of potentials suitable for ...

Page 80

An

potential was presented to describe relative stability in transition metal systems.

The need for a repulsive contribution was demonstrated in order to stabilize the ...

An

**application**of the Linear Green function Method coupled with a Born-Mayerpotential was presented to describe relative stability in transition metal systems.

The need for a repulsive contribution was demonstrated in order to stabilize the ...

Page 167

The successful

that use of a simple pair interaction for the second term in Eq(l) can be a good

approximation for fee crystals. In general, it is believed that going beyond the ...

The successful

**applications**of the Embedded Atom Method [2] (EAM) suggestthat use of a simple pair interaction for the second term in Eq(l) can be a good

approximation for fee crystals. In general, it is believed that going beyond the ...

### What people are saying - Write a review

We haven't found any reviews in the usual places.

### 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