finite element modeling 1heat transfer 1machine learning potentials 1molecular dynamics 1molten salt reactors 1
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cond-mat.mtrl-sci2025
Clarifying the Ti-V Phase Diagram Using First-Principles Calculations and Bayesian Learning
Timofei Miryashkin, Olga Klimanova, Alexander Shapeev
Conflicting experiments disagree on whether the titanium-vanadium (Ti-V) binary alloy exhibits a body-centred cubic (BCC) miscibility gap or remains completely soluble. A leading h…
cond-mat.mtrl-sci2025
Novel Strontium Carbides Under Compression
Nikita Rybin, Evgeny Moerman, Pranab Gain +2
Exploring the chemistry of materials at high pressures has lead to the discovery of previously unknown exotic compounds. Here, we systematically search for all thermodynamically st…