Monte-Carlo simulations with an ML potential demonstrate that coherency strain removes the Ag-Cu miscibility gap in Ag_xCu_{1-x}GaSe2, producing complete mixing.
Bochkarev , author Y
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cond-mat.mtrl-sci 2years
2026 2verdicts
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Tensile strain boosts Li+ diffusivity in Li3YCl6 while compressive strain reduces it, but the critical temperature separating 1D hopping from 3D cooperative diffusion remains unchanged.
citing papers explorer
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Chemo-mechanical coupling stabilizes mixed $\mathrm{Ag}_{x}\mathrm{Cu}_{1-x}\mathrm{GaSe}_{2}$ solar-cell absorbers: Insights from Monte-Carlo simulations assisted by ab initio informed machine-learning potentials
Monte-Carlo simulations with an ML potential demonstrate that coherency strain removes the Ag-Cu miscibility gap in Ag_xCu_{1-x}GaSe2, producing complete mixing.
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Strain-Dependent Ionic Transport in Li3YCl6 Solid Electrolytes
Tensile strain boosts Li+ diffusivity in Li3YCl6 while compressive strain reduces it, but the critical temperature separating 1D hopping from 3D cooperative diffusion remains unchanged.