A differentiable pipeline uses continuous atom occupancy and gradient descent plus a neural network to optimize short-range order in multi-element alloys directly for target stiffness properties.
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cond-mat.mtrl-sci 4years
2026 4verdicts
UNVERDICTED 4representative citing papers
High-entropy engineering via B-site multicomponent substitution in BF-BT ceramics produces 10.55 J/cm³ recoverable energy density and 840 kV/cm breakdown strength through lattice distortion, relaxor behavior, and grain refinement.
MD simulation of CoCrFeMnNi HEA thin film deposition on Al(100) using Morse potentials yields a 6.1 nm mixed-phase film whose structure matches experimental data.
MD simulation of AlCoCuFeNi HEA deposition on Si(100) finds small clusters at early stages, crystallization after ~5 ns at ~2 nm cluster size, and a final film with FCC, BCC, HCP, and amorphous phases whose lattice parameters are estimated from RDF.
citing papers explorer
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Differentiable inverse design of short-range order in high-entropy alloys: from target sro to target property
A differentiable pipeline uses continuous atom occupancy and gradient descent plus a neural network to optimize short-range order in multi-element alloys directly for target stiffness properties.
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Entropy engineering of BF-BT-based high-entropy ceramics for ultra-high energy storage performance
High-entropy engineering via B-site multicomponent substitution in BF-BT ceramics produces 10.55 J/cm³ recoverable energy density and 840 kV/cm breakdown strength through lattice distortion, relaxor behavior, and grain refinement.
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Molecular dynamic simulation of multicomponent CoCrFeNiMn high-entropy alloy thin film deposition
MD simulation of CoCrFeMnNi HEA thin film deposition on Al(100) using Morse potentials yields a 6.1 nm mixed-phase film whose structure matches experimental data.
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Deposition and Growth of the AlCoCuFeNi High-Entropy Alloy Thin Film: Molecular Dynamics Simulation
MD simulation of AlCoCuFeNi HEA deposition on Si(100) finds small clusters at early stages, crystallization after ~5 ns at ~2 nm cluster size, and a final film with FCC, BCC, HCP, and amorphous phases whose lattice parameters are estimated from RDF.