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50 积分 2025-11-06 加入
Solute Segregation in Polycrystalline Aluminum From Hybrid Monte Carlo and Molecular Dynamics Simulations With a Unified Neuroevolution Potential
13天前
已完结
General-purpose neural network potential for Ti-Al-Nb alloys towards large-scale molecular dynamics with ab initio accuracy
13天前
已完结
Strengthening and toughening mechanisms in CoCrFeMnNi high-entropy alloys with grain size-twin thickness dual-gradient structures revealed by molecular dynamics simulations
1个月前
已完结
GAPF-DFT: A graph-based alchemical perturbation density functional theory for catalytic high-entropy alloys
1个月前
已完结
Exploring the impact of Ti/Al on L1₂ nanoprecipitation and deformation behavior in CoNiFeAlTi multi-principal element alloys through atomistic simulations
1个月前
已完结
Design strategy of Ti-Zr-Hf-Nb high-entropy alloys based on first principles computations
2个月前
已完结
Microstructural features and thermal response of granulated Al and A356 alloy with relevant Sn additions
2个月前
已完结
Temperature-Dependent Structural, Thermodynamic, and Phonon Properties of Lithium Fluoride from a Neuro-Evolution Machine-Learning Potential
3个月前
已关闭
Atomic-level engineering anisotropic thermal transport for directional heat dissipation in silicon electronics
3个月前
已完结
Neuroevolution potential-driven accurate and efficient discovery of Graphene/GaN heterojunctions: From ballistic-diffusive transition to thermal conductivity enhancement
3个月前
已完结
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