A tensorial cluster expansion of transition states models vacancy diffusion in Ta-W beyond the KRA approximation, capturing a crossover from solute trapping to low-barrier pathways that produces a maximum in apparent activation energy at intermediate compositions.
Self-consistent equations including exchange and correlation ef- fects.Physical review, 140(4A):A1133
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
First-principles transition-state tensorial cluster expansion of vacancy diffusion in Ta-W beyond the kinetically-resolved activation approximation
A tensorial cluster expansion of transition states models vacancy diffusion in Ta-W beyond the KRA approximation, capturing a crossover from solute trapping to low-barrier pathways that produces a maximum in apparent activation energy at intermediate compositions.