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- aggregation classification "A1".
- aggregation creator B172221.
- aggregation creator B172222.
- aggregation creator person.
- aggregation date "2009".
- aggregation format "application/pdf".
- aggregation hasFormat 532625.bibtex.
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- aggregation isPartOf urn:issn:1478-6435.
- aggregation language "eng".
- aggregation publisher "TAYLOR & FRANCIS LTD".
- aggregation rights "I have transferred the copyright for this publication to the publisher".
- aggregation subject "Science General".
- aggregation title "Interatomic potentials for alloys: Fitting concentration dependent properties".
- aggregation abstract "A detailed analysis of the embedded atom method and Finnis-Sinclair formalisms is performed, showing their limitations to fit concentration dependent properties of alloys. Two empirical extensions of the former methods, so-called two-band model and concentration dependent model, are analysed in depth, and their heuristic equivalence is shown. An algorithm is proposed for the two-band model, capable of fitting concentration dependent properties of the alloy, such as mixing enthalpy and bulk modulus. The algorithm is then applied to the Fe-Cr system, deriving two interatomic potentials that closely reproduce Fe-Cr's complex mixing enthalpy.".
- aggregation authorList BK423374.
- aggregation endPage "725".
- aggregation issue "8".
- aggregation startPage "711".
- aggregation volume "89".
- aggregation aggregates 536966.
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