Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit
Top Cited Papers
- 30 June 2009
- journal article
- Published by Elsevier BV in Calphad
- Vol. 33 (2), 266-278
- https://doi.org/10.1016/j.calphad.2008.12.005
Abstract
No abstract availableKeywords
This publication has 45 references indexed in Scilit:
- First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al–TM (TM=Ti, Zr and Hf) systems: A comparison of cluster expansion and supercell methodsActa Materialia, 2008
- A complete representation of structure-property relationships in crystalsNature Materials, 2008
- Free Energies for Acid Attack Reactions of Lithium CobaltateJournal of the Electrochemical Society, 2008
- First-Principles Thermodynamics of Coherent Interfaces in Samarium-Doped Ceria Nanoscale SuperlatticesPhysical Review Letters, 2007
- Thermodynamic properties of binary hcp solution phases from special quasirandom structuresPhysical Review B, 2006
- Using bond-length-dependent transferable force constants to predict vibrational entropies in Au-Cu, Au-Pd, and Cu-Pd alloysPhysical Review B, 2003
- First-principles computation of material properties: the ABINIT software projectComputational Materials Science, 2002
- Model for Configurational Thermodynamics in Ionic SystemsPhysical Review Letters, 1995
- A derivation of the Ising model for the computation of phase diagramsComputational Materials Science, 1993
- Special quasirandom structuresPhysical Review Letters, 1990