Design of high-strength refractory complex solid-solution alloys  

作　　者：Prashant Singh Aayush Sharma A.V.Smirnov Mouhamad S.Diallo Pratik K.Ray Ganesh Balasubramanian Duane D.Johnson 

机构地区：[1]Ames Laboratory,U.S.Department of Energy,Iowa State University,Ames,IA 50011,USA [2]Mechanical Engineering,Iowa State University,Ames,IA 50011,USA [3]Materials Science&Engineering,Iowa State University,Ames,IA 50011,USA [4]Mechanical Engineering&Mechanics,Lehigh University,Bethlehem,PA 18015,USA

出　　处：《npj Computational Materials》2018年第1期519-526,共8页计算材料学（英文）

摘　　要：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 five-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-principle data.We predict complex solid-solution alloys of improved stability with greatly enhanced modulus of elasticity(3×at 300 K)over near-equiatomic cases,as validated experimentally,and with higher moduli above 500 K over commercial alloys(2.3×at 2000 K).We also show that optimal complex solid-solution alloys are not described well by classical potentials due to critical electronic effects.

关 键 词：ALLOYS STRENGTH CORROSION 

分 类 号：TG1[金属学及工艺—金属学]