Using the modified embedded-atom method to calculate the properties of Pu-Ga alloys

Using the modified embedded-atom method to calculate the properties of Pu-Ga alloys

In order to calculate the phase diagram, the enthalpy of all possible phases as a function of both composition and temperature must be known. This is a formidable task. The authors have calculated the enthalpies of the following line compounds: Pu^sub 3^Ga(L1^sub 2^), Pu^sub 2^Ga(C32), Pu^sub 2^Ga(C...

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Veröffentlicht in:JOM (1989) 2003-09, Vol.55 (9), p.41-50
Hauptverfasser: Baskes, M I, Muralidharan, K, Stan, M, Valone, S M, Cherne, F J
Format: Artikel
Sprache:eng
Schlagworte:
Agreements
Alloys
Atmospheric pressure
Binary system
Crystal structure
Electrons
Energy
Equilibrium
Intermetallic compounds
Metallurgy
Plutonium
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Beschreibung
Zusammenfassung:In order to calculate the phase diagram, the enthalpy of all possible phases as a function of both composition and temperature must be known. This is a formidable task. The authors have calculated the enthalpies of the following line compounds: Pu^sub 3^Ga(L1^sub 2^), Pu^sub 2^Ga(C32), Pu^sub 2^Ga(C11b), [PuGa](L1^sub 0^), PuGa(tI16), Pu^sub 3^Ga^sub 5^(D88), PuGa^sub 2^(C32), PuGa^sub 3^(D0^sub 19^), and PuGa^sub 6^(tP14).
ISSN:1047-4838
1543-1851
DOI:10.1007/s11837-003-0029-7