Recent works have proposed the treatment of alloy defect states with thermodynamics
analogous to phase thermodynamics, so they can be analyzed in a manner that is …

This Letter explores the stability of disconnections (step-dislocation defects) at grain
boundaries in binary alloys. We introduce interfacial defect diagrams, derived from atomistic …

Vanadium (V) alloys, such as V-Cr, V-Ti, and V-Cr-Ti alloys, are promising candidates for
structural components in fusion energy systems because of their low activation, excellent …

Mg alloys are promising lightweight structural materials due to their low density and
excellent mechanical properties. However, their limited formability and ductility necessitate …

Abstract Though Nb₂O₅ holds significant importance as a high-power anode material for Li
ion batteries (LIB), it underperforms due to structural response issues and insufficient …

Laves phases often form as secondary phases in metallic alloys and have a significant effect
on their structural properties. Thus, phase stability studies for these chemically and …

We propose an analytical thermodynamic model for describing defect phase
transformations, which we term the statistical phase evaluation approach (SPEA). The SPEA …

Grain boundaries (GBs) trigger structure-specific chemical segregation of solute atoms.
According to the three-dimensional (3D) topology of grains, GBs-although defined as planar …

Defect engineering provides access to a much larger range of material properties and is
particularly necessary when designing any high-defect density material such as …

RUB-Repository - Ab-initio thermodynamics of defect phases Deutsch OPUS UB Bochum
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