QUANTUM-MECHANICAL PREDICTIONS IN INTERMETALLICS MODELING

Authors
MANH N BRATKOVSKY AM PETTIFOR DG
Citation
N. Manh et al., QUANTUM-MECHANICAL PREDICTIONS IN INTERMETALLICS MODELING, Philosophical transactions-Royal Society of London. Physical sciences and engineering, 351(1697), 1995, pp. 529-542
Citations number
19
Categorie Soggetti
Multidisciplinary Sciences
Journal title
Philosophical transactions-Royal Society of London. Physical sciences and engineering → ACNP
ISSN journal
09628428
Volume
351
Issue
1697
Year of publication
1995
Pages
529 - 542
Database
ISI
SICI code
0962-8428(1995)351:1697<529:QPIIM>2.0.ZU;2-Z
Abstract
Materials modelling involves research that spans the very broad spectr um of length scales from quantum mechanical calculations at the Angstr om level all the way through to finite-element or finite-difference mo delling at the continuum level. This paper reviews the role that quant um mechanics plays in the modelling hierarchy with particular referenc e to the titanium and nickel aluminides.