Computing binary alloy phase diagrams with explicit configurational and vibrational entropy

arXiv:2607.14795 · cond-mat.mtrl-sci · Submitted 2026-07-16 · Read on arXiv

cond-mat.mtrl-sci

Submitted: 2026-07-16

Updated: 2026-10-29

Terminology

• Composition — 2× in this paper · explained in 2 episodes
• Accuracy — 1× in this paper · explained in 1 episode
• Cluster expansion — 1× in this paper · explained in 2 episodes

Related papers

• Machine-learned exchange-correlation functionals for molecules, solids, and reactive surfaces
• Efficient Large-Scale STEM-EELS Simulations With Torched-TACAW
• Mode-selective electron-phonon coupling drives charge density waves in the kagome metals YRu 3 Si 2 and LaRu 3 Si 2
• Direct Raman observation of the quantum metric in a quantum magnet
• Restoring the Surface Magnetic Gap in MnBi 2 Te 4
• ATLAS: A Foundation Neural Sampler for Amorphous Materials