WFRF:(Dupin N.)
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| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 02605naa a2200421 4500 | |
| 001 | oai:DiVA.org:kth-15640 | |
| 003 | SwePub | |
| 008 | 100805s2006 | |||||||||||000 ||eng| | |
| 024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-156402 URI |
| 024 | 7 | a https://doi.org/10.1080/147864305004374882 DOI |
| 040 | a (SwePub)kth | |
| 041 | a engb eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a ref2 swepub-contenttype |
| 072 | 7 | a art2 swepub-publicationtype |
| 100 | 1 | a Dupin, N.4 aut |
| 245 | 1 0 | a Using first-principles results to calculate finite-temperature thermodynamic properties of the Nb-Ni mu phase in the Bragg-Williams approximation |
| 264 | 1 | b Informa UK Limited,c 2006 |
| 338 | a print2 rdacarrier | |
| 500 | a QC 20100525 | |
| 520 | a Results of first-principles (FP) total energy calculations for 32 different configurations of the mu phase in the binary system Nb-Ni are used in the compound energy formalism (CEF) to model finite-temperature thermodynamic properties. A comparison with Cluster Expansion Hamiltonian-Cluster Variation Method (CEH-CVM) calculations indicates that the CEF describes temperature-dependent site occupancies as well as the CEH-CVM within the temperature range of interest for applications. This suggests that the Bragg-Williams-Gorsky approximation (BWGA) used in the CEF is sufficient to describe site occupancies and thermodynamics of the mu phase. A phase diagram is calculated using the mu phase description derived in the present work together with a previous Calphad description for the other phases of this system. The FP-CEF approach significantly improves the description of the thermodynamic properties as a function of composition compared to the Calphad procedure generally used up to now. | |
| 653 | a configurational heat-capacity | |
| 653 | a composition-dependence | |
| 653 | a system | |
| 653 | a alloys | |
| 653 | a equilibria | |
| 653 | a calphad | |
| 700 | 1 | a Fries, S. G.4 aut |
| 700 | 1 | a Joubert, J. M.4 aut |
| 700 | 1 | a Sundman, Bou KTH,Termodynamisk modellering4 aut0 (Swepub:kth)u1q5l5sh |
| 700 | 1 | a Sluiter, M. H. F.4 aut |
| 700 | 1 | a Kawazoe, Y.4 aut |
| 700 | 1 | a Pasturel, A.4 aut |
| 710 | 2 | a KTHb Termodynamisk modellering4 org |
| 773 | 0 | t Philosophical Magazined : Informa UK Limitedg 86:12, s. 1631-1641q 86:12<1631-1641x 1478-6435x 1478-6443 |
| 856 | 4 | u https://hal.archives-ouvertes.fr/hal-00513636/file/PEER_stage2_10.1080%252F14786430500437488.pdf |
| 856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-15640 |
| 856 | 4 8 | u https://doi.org/10.1080/14786430500437488 |
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