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Data-driven design of novel lightweight refractory high-entropy alloyswith superb hardness and corrosion resistance
《npj Computational Materials》2024年第1期536-548,共13页Tianchuang Gao Jianbao Gao Shenglan Yang Lijun Zhang 
The financial support from the Natural Science Foundation of Hunan Province for Distinguished Young Scholars,China[GrantNo.2021JJ10062];the Science and Technology Program of Guangxi province,China[GrantNo.AB21220028];the Youth Fund of the National Natural Science Foundationof China[Grant No.52401047,Grant No.52401004];the China Postdoctoral Science Foundation,China[GrantNo.2023M741244];the Fundamental Research Funds for the Central Universities of Central South University,China[GrantNo.2023ZZTS0711]are acknowledged;The Project supported by State Key Laboratory of Powder Metallurgy,Central South University,Changsha,China is also acknowledged.
Lightweight refractory high-entropy alloys(LW-RHEAs)hold significant potential in the fields of aviation,aerospace,and nuclear energy due to their low density,high strength,high hardness,and corrosion resistance.Howev...
关键词：corrosion alloys resistance 
Bayesian blacksmithing:discovering thermomechanical properties and deformation mechanisms in high-entropy refractory alloys
《npj Computational Materials》2024年第1期1545-1557,共13页Jacob Startt Megan J.McCarthy Mitchell A.Wood Sean Donegan Rémi Dingreville 
Finding alloys with specific design properties is challenging due to the large number of possible compositions and the complex interactions between elements.This study introduces a multiobjective Bayesian optimization...
关键词：deformation ALLOYS THERMOMECHANICAL 
Design of refractory multi-principal-element alloys for high-temperature applications被引量：1
《npj Computational Materials》2023年第1期884-893,共10页Gaoyuan Ouyang Prashant Singh Ranran Su Duane D.Johnson Matthew J.Kramer John H.Perepezko Oleg N.Senkov Daniel Miracle Jun Cui 
This work was supported by the U.S.Department of Energy(DOE),Office of Energy Efficiency&Renewable Energy,and Advanced Manufacturing Office under project AOP 2.1.0.19;Theoretical methods to address complex solid solutions were developed with support from the DOE Office of Science,Basic Energy Sciences,Materials Science&Engineering Division.Funding was in part from Laboratory Directed Research and Development funds through Ames Laboratory.Ames Laboratory is operated by Iowa State University for the U.S;DOE,Office of Science,Office of Basic Energy Sciences under contract DE-AC02-07CH11358;Work by O.S.was supported through the Air Force on-site contract FA8650-21-D-5270 managed by MRL Materials Resources LLC,Xenia,OH,USA.We acknowledge Vinay Deodeshmukh at Haynes International for providing us with the Haynes 282 alloy and relevant heat treatment conditions for this alloy。
Refractory multi-principal-element alloys(RMPEAs)exhibit high specific strength at elevated temperatures(T).However,current RMPEAs lack a balance of room-temperature(RT)ductility,high-T strength,and high-T creep resis...
关键词：CREEP ALLOY ALLOYS 
Mining of lattice distortion, strength, and intrinsic ductility of refractory high entropy alloys
《npj Computational Materials》2023年第1期1814-1825,共12页Christopher Tandoc Yong-Jie Hu Liang Qi Peter K.Liaw 
L.Q.acknowledge the financial support from the National Science Foundation(NSF)Award DMR-1847837;P.K.L.very much appreciates the supports from(1)the National Science Foundation(DMR-1611180,1809640,and 2226508)and(2)the US Army Research Office(W911NF-13-1-0438 and W911NF-19-2-0049);The computational support from the Drexel’s University Research Computing Facility is greatly acknowledged.A part of the calculations was also carried out using the Extreme Science and Engineering Discovery Environment(XSEDE)Stampede2 at the TACC through allocation TG-DMR190035;allocation MAT220033 from the Advanced Cyberinfrastructure Coordination Ecosystem:Services&Support(ACCESS)program;which is supported by National Science Foundation Grants#2138259,#2138286,#2138307,#2137603,and#2138296.
Severe lattice distortion is a prominent feature of high-entropy alloys(HEAs)considered a reason for many of those alloys’properties.Nevertheless,accurate characterizations of lattice distortion are still scarce to o...
关键词：ALLOYS DUCTILITY STRENGTH 
Computational discovery of ultra-strong, stable, and lightweight refractory multi-principal element alloys. Part II: comprehensive ternary design and validation
《npj Computational Materials》2023年第1期1469-1481,共13页Kate L.M.Elder Joel Berry Aurélien Perron Brandon Bocklund Jibril Shittu Connor J.Rietema Hunter B.Henderson Scott K.McCall Joseph T.McKeown 
This work was performed under the auspices of the U.S.Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344;was supported by the Laboratory Directed Research and Development(LDRD)program under project tracking code 22-SI-007.Document Release#LLNL-JRNL-840231.
Here the discovery of refractory multi-principal element alloys(MPEAs)with high-temperature strength and stability is pursued within a constrained and application-relevant design space.A comprehensive approach is deve...
关键词：ALLOYS ELEMENT TERNARY 
Computational discovery of ultra-strong, stable, and lightweight refractory multi-principal element alloys. Part I: design principles and rapid down-selection
《npj Computational Materials》2023年第1期1501-1513,共13页Kate L.M.Elder Joel Berry Brandon Bocklund Scott K.McCall Aurélien Perron Joseph T.McKeown 
This work was performed under the auspices of the U.S.Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344;was supported by the Laboratory Directed Research and Development(LDRD)program under project tracking code 22-SI-007.Document Release#LLNL-JRNL-839431.
Refractory metal-based multi-principal element alloys (MPEAs) are compelling materials for high-temperature (1000–2000 K)structural applications. However, only a minuscule fraction of their vast and heterogeneous com...
关键词：stability ALLOYS strength 
Machine-learning-based intelligent framework for discovering refractory high-entropy alloys with improved high-temperature yield strength被引量：3
《npj Computational Materials》2022年第1期2247-2257,共11页Stephen A.Giles Debasis Sengupta Scott R.Broderick Krishna Rajan 
This work was funded by the Office of Naval Research of the United States under the Small Business Technology Transfer program(contract#N68335-20-C-0402).
Refractory high-entropy alloys(RHEAs)show significant elevated-temperature yield strengths and have potential to use as high-performance materials in gas turbine engines.Exploring the vast RHEA compositional space exp...
关键词：STRENGTH ALLOYS ENTROPY 
Design of high-strength refractory complex solid-solution alloys被引量：2
《npj Computational Materials》2018年第1期519-526,共8页Prashant Singh Aayush Sharma A.V.Smirnov Mouhamad S.Diallo Pratik K.Ray Ganesh Balasubramanian Duane D.Johnson 
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 ...
关键词：ALLOYS STRENGTH CORROSION 
Author Correction:Design of high-strength refractory complex solid-solution alloys
《npj Computational Materials》2018年第1期387-388,共2页Prashant Singh Aayush Sharma A.V.Smirnov Mouhamad S.Diallo Pratik K.Ray Ganesh Balasubramanian Duane D.Johnson 
Correction to:npj Computational Materials https://doi.org/10.1038/s41524-018-0072-0,Published online 28 March 2018 The caption of Fig.6 and the main text contained an error in the chemical formula of the“(Mo_(z)W_(1−...
关键词：Ti ALLOYS alloy 
Atomic and electronic basis for the serrations of refractory high-entropy alloys被引量：3
《npj Computational Materials》2017年第1期253-262,共10页William Yi Wang Shun Li Shang Yi Wang Fengbo Han Kristopher A.Darling Yidong Wu Xie Xie Oleg N.Senkov Jinshan Li Xi Dong Hui Karin A.Dahmen Peter K.Liaw Laszlo J.Kecskes Zi-Kui Liu 
financially supported by the U.S.Army Research Laboratory(Project No.W911NF-08-2-0084);the United States National Science Foundation(Grant DMR-1006557);the National Natural Science Foundation of China(Grants 51690163,50871013,51271018,51271151,and 51571161);the support from the Fundamental Research Funds for the Central Universities in China(G2016KY0302);the Natural Science Basic Research Plan in Shaanxi province of China(2016JQ5003);supported through the Air Force on-site contract FA8650-10-5226 managed by UES,Inc.;the Department of Energy,Office of Fossil Energy,National Energy Technology Laboratory(DE-FE-0008855,DE-FE-0024054,and DE-FE-0011194);the U.S.Army Research Office project(W911NF-13-1-0438);the National Science Foundation(CMMI-1100080 and DMR-1611180);the Ministry of Science and Technology of Taiwan(MOST 105-2221-E-007-017-MY3);the support from the DE-FE-0011194 project;supported by the Materials Simulation Center and the Institute for CyberScience;funded by NSF through Grant OCI-0821527;the XSEDE clusters supported by NSF through Grant ACI-1053575.
Refractory high-entropy alloys present attractive mechanical properties,i.e.,high yield strength and fracture toughness,making them potential candidates for structural applications.Understandings of atomic and electro...
关键词：ALLOYS TOUGHNESS ENTROPY 
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