Quantum mechanical predictions in intermetallics modelling
- 15 June 1995
- journal article
- Published by The Royal Society in Philosophical Transactions A
- Vol. 351 (1697) , 529-542
- https://doi.org/10.1098/rsta.1995.0051
Abstract
Materials modelling involves research that spans the very broad spectrum of length scales from quantum mechanical calculations at the A level all the way through to finite-element or finite-difference modelling at the continuum level. This paper reviews the role that quantum mechanics plays in the modelling hierarchy with particular reference to the titanium and nickel aluminides.Keywords
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