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• W3102997306 abstract "Nickel-based superalloys and near-equiatomic high-entropy alloys containing Molybdenum are known for higher temperature strength and corrosion resistance. Yet, complex solid-solution alloys offer a huge design space to tune for optimal properties at slightly reduced entropy. For refractory Mo-W-Ta-Ti-Zr, we showcase KKR electronic-structure methods via the coherent-potential approximation to identify alloys over 5-dimensional design space with improved mechanical properties and necessary global (formation enthalpy) and local (short-range order) stability. Deformation is modeled with classical molecular dynamic simulations, validated from our first-principles data. We predict complex solid-solution alloys of improved stability with greatly enhanced modulus of elasticity ($3times$ at 300 K) over near-equiatomic cases, as validated experimentally, and with higher moduli above 500~K over commercial alloys ($2.3times$ at 2000 K). We also show that optimal complex solid-solution alloys are not described well by classical potentials due to critical electronic effects." @default.
• W3102997306 created "2020-11-23" @default.
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• W3102997306 date "2018-03-28" @default.
• W3102997306 modified "2023-10-16" @default.
• W3102997306 title "Design of high-strength refractory complex solid-solution alloys" @default.
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• W3102997306 doi "https://doi.org/10.1038/s41524-018-0072-0" @default.
• W3102997306 hasPublicationYear "2018" @default.
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