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Original Articles

Barrier energy for the b. c. c.-f. c. c. martensitic transition in sodium

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Pages 83-94 | Received 16 Nov 1982, Accepted 21 Jan 1983, Published online: 13 Sep 2006
 

Abstract

Using an Ashcroft empty-core model pseudopotential, we have calculated the binding energy of the intermediate structures between b. c. c. and f. c. c. sodium at zero temperature for two homogeneous-deformation reaction-path models, namely those of Bain (1924) and Zener (1948). Bain's model gives a lower barrier energy than that of Zener : 9·2 K per atom, much lower than a previous estimate based on the second-order elastic constants.

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