DFD. de Fontaine
D. de Fontaine
*This is an algorithmically generated author record based on publicly available information.
Current Organizations / Institutes
The organizations/institutes from the scholar's latest article
Research Subjects
D. de Fontaine has a total of 17 co-authors. Here are the top co-authors by number of shared publications:
M. Asta
Department of Materials Science and Mineral Engineering, University of California, Berkeley, California 94720
2 shared publicationsA.J. Freeman
Northwestern University, Dept. of Physics, Evanston, IL 60207
1 shared publicationC Wolverton
Department ot Physics, University of California, CA 94720 Berkeley, USA
1 shared publicationDane Morgan
Department of Materials Science, 577 Evans Hall, University of California, Berkeley, CA 94720-1760, USA
1 shared publication- Duane D. Johnson
Division of Materials Science and Engineering, Ames National Laboratory, Ames, USA
1 shared publication G. Ceder
Department of Materials Science, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139
1 shared publication
Latest Publications
- 1 February 1998
- Published by Elsevier in Computational Materials Science
- Vol. 10 (1-4) , 411-415
Embedded atom method calculations of vibrational thermodynamic properties of ordered and disordered Ni3Al
- 1 February 1998
- Published by Elsevier in Computational Materials Science
- Vol. 10 (1-4) , 411-415
Embedded atom method calculations of vibrational thermodynamic properties of ordered and disordered Ni3Al
- 1 September 1993
- Published by American Physical Society (APS) in Physical Review B
- Vol. 48 (10) , 6767-6780
hcp Ising model in the cluster-variation approximation
We present a study of the hexagonal-close-packed Ising model for binary alloys within the cluster-variation approximation. Ground states of order stabilized by interactions that span the next-nearest-neighbor (NNN) distance (octahedron and all of its subclusters) were determined with the cluster-configuration polyhedron method. We predict 32 physically realizable ground states with stoichiometries A, AB, B, B, B, and . Of these structures, six are stabilized by NN pairs and eight by NNN pairs; the remaining 18 structures require multiplet interactions for their stability. The results in this study are consistent with previous pair-interaction studies. Information concerning ground states and their domains of stability was then used in conjunction with the cluster-variation method (CVM) to calculate the finite-temperature phase equilibria for prototypical binary alloys. We present ordering phase diagrams computed with the CVM that contain all relevant ground states for both isotropic and anisotropic NN pair interactions. The results of the ground-state and CVM calculations are compared with those for ordering on the face-centered-cubic lattice.- 1 September 1993
- Published by American Physical Society (APS) in Physical Review B
- Vol. 48 (10) , 6767-6780
hcp Ising model in the cluster-variation approximation
We present a study of the hexagonal-close-packed Ising model for binary alloys within the cluster-variation approximation. Ground states of order stabilized by interactions that span the next-nearest-neighbor (NNN) distance (octahedron and all of its subclusters) were determined with the cluster-configuration polyhedron method. We predict 32 physically realizable ground states with stoichiometries A, AB, B, B, B, and . Of these structures, six are stabilized by NN pairs and eight by NNN pairs; the remaining 18 structures require multiplet interactions for their stability. The results in this study are consistent with previous pair-interaction studies. Information concerning ground states and their domains of stability was then used in conjunction with the cluster-variation method (CVM) to calculate the finite-temperature phase equilibria for prototypical binary alloys. We present ordering phase diagrams computed with the CVM that contain all relevant ground states for both isotropic and anisotropic NN pair interactions. The results of the ground-state and CVM calculations are compared with those for ordering on the face-centered-cubic lattice.- Open Access
- 1 January 1993
- Published by EDP Sciences in Journal de Chimie Physique et de Physico-Chimie Biologique
- Vol. 90, 249-254
New developments in the ab initio determination of transition metal alloys phase diagram
- 1 January 1993
- Published by EDP Sciences in Journal de Chimie Physique et de Physico-Chimie Biologique
- Vol. 90, 249-254
Open AccessNew developments in the ab initio determination of transition metal alloys phase diagram
- 1 January 1990
- Published by Springer Nature in MRS Proceedings
- Vol. 186
First Principles Study of Phase Stability in The Al-Ti System
- 1 January 1990
- Published by Springer Nature in MRS Proceedings
- Vol. 186
First Principles Study of Phase Stability in The Al-Ti System