## 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 78

Page 152

Results The vibrational entropy varies with volume of the unit cell, and to

compare LI2 with a 3:1 disordered sample this

account. In figures 1 and 2 we show superposed graphs of cohesive energy and

high ...

Results The vibrational entropy varies with volume of the unit cell, and to

compare LI2 with a 3:1 disordered sample this

**effect**should be taken intoaccount. In figures 1 and 2 we show superposed graphs of cohesive energy and

high ...

Page 173

Similar arguments can be used for the Ni-rich fee alloys Ni/Cr/X. The above

arguments based on a simple one-dimensional model help us to understand the

behavior of atomic additive

for ...

Similar arguments can be used for the Ni-rich fee alloys Ni/Cr/X. The above

arguments based on a simple one-dimensional model help us to understand the

behavior of atomic additive

**effects**on the CTE. However, they are oversimplifiedfor ...

Page 200

Since it is known that multibody

noble gases, the computed phase diagram should not be taken as an accurate

assessment of the real thermodynamic equilibrium in this system, but just as an ...

Since it is known that multibody

**effects**are important in the solid phases of thenoble gases, the computed phase diagram should not be taken as an accurate

assessment of the real thermodynamic equilibrium in this system, but just as an ...

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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