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defects in materials

General correlations between local electronic structures and solute-defect interactions in bcc refractory metals

Submitted by Liang Qi on
research
alloy design
defects in materials
electronic

The interactions between solute atoms and crystalline defects such as vacancies, dislocations, and grain boundaries are essential in determining alloy properties. Here (Nature Communications, (2019) 10:4484) we present a general linear correlation between two descriptors of local electronic structures and the solute-defect interaction energies in binary alloys of body-centered-cubic (bcc) refractory metals (such as W and Ta) with transition-metal substitutional solutes.

TOPOLOGICAL CLASSIFICATION OF DEFECTS

Submitted by Ayan Roychowdhury on
defects in materials

When we topologically classify the defects in ordered media, we consider the character of the fundamental group of the associated order parameter space. To construct those groups, we circumscribe the line defects by circles and the point defects by spheres.
My question is what is done for a surface (possibly infinite) defect, say domain walls. My query primary concerns crystal lattices. I want to characterize the essential defects in solid crystals--for dislocation and interstitial/vacancy, it is straightforward. But what to be done in case of grain/phase boundary?

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