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- W1985010296 abstract "Potential energy parameters, including the attractive and repulsive interaction exponents and the dissociation energy, are calculated for several AB-type and AB3-type intermetallic compounds with cubic structures. The potential energy parameters for interactions between like atoms are taken from those for the pure components, whereas the bond energy parameters between unlike atoms are calculated from the cohesive energy equation and the equilibrium nearest neighbour distance equation. Predicted sublimation energies are in good agreement with the experimental values. Für einige intermetallische AB- und AB3-Verbindungen mit kubischer Struktur werden Potentialparameter, einschließlich der anziehenden und abstoßenden Wechselwirkungsexponenten, und Dissoziationsenergie berechnet. Die Potentialenergieparameter für Wechselwirkungen zwischen gleichen Atomen werden aus denen für reine Komponenten genommen, während die Bindungsenergieparameter zwischen ungleichen Atomen aus der Gleichung der Kohäsionsenergie und der Gleichung für den Gleichgewichtsabstand nächster Nachbarn berechnet wird. Die vorhergesagten Sublimationsenergien sind mit den experimentellen Werten in guter Übereinstimmung." @default.
- W1985010296 created "2016-06-24" @default.
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- W1985010296 date "1984-11-16" @default.
- W1985010296 modified "2023-09-26" @default.
- W1985010296 title "Calculation of potential energy parameters for some intermetallic compounds" @default.
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- W1985010296 doi "https://doi.org/10.1002/pssa.2210860115" @default.
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