First principle predictions of anomalous yield strength in L12 materials. (July 2014)

• Record Type: Journal Article
• Authors: Liu, J. B.; Johnson, D. D.
• Is Part Of: Materials research innovations. Volume 18:Number 4(2014)
• Page Start: 1021
• Page End: 1025
• Publication Date: 2014-07
• Subjects: Materials -- Research -- Periodicals; Matériaux -- Recherche -- Périodiques; 620.1105
• DOI: 10.1179/1432891714Z.000000000872
• Languages: English
• ISSNs: 1432-8917

Abstract

<abstract> <title> <x content-type="archive" xml:space="preserve">Abstract</x> </title> <p>By using previous energy based arguments for screw dislocation cross-slip from (111) to (001) now combined with verifying antiphase boundary (111) stability and the width of subsegment complex stacking fault, we construct a simple plot that predicts the existence of yield strength anomaly and its relative strength. We construct the plot from calculating planar-fault energies, i.e. antiphase boundary (APB), complex and superlattice intrinsic stacking faults (CSF and SISF) and their stability for a range of L1₂ based intermetallics using <italic>ab initio</italic> electronic structure methods. Our plot reproduces the relative order of observed values of anomalous peak temperatures. The importance of determining the stability of APB(111) and the role of chemical (thermal antisite) disorder is also discussed.</p> </abstract>