A ductility metric for refractory-based multi-principal-element alloys

Singh, Prashant; Vela, Brent; Ouyang, Gaoyuan; Argibay, Nicolas; Cui, Jun; Arroyave, Raymundo; Johnson, Duane D.

doi:10.1016/j.actamat.2023.119104

This content will become publicly available on Thu Jun 27 00:00:00 EDT 2024

Title: A ductility metric for refractory-based multi-principal-element alloys

Abstract

We propose a quantum-mechanical dimensionless metric, the local-lattice distortion (LLD), as a reliable predictor of ductility in refractory multi-principal-element alloys (RMPEAs). The LLD metric is based on electronegativity differences in localized chemical environments and combines atomic-scale displacements due to local lattice distortions with a weighted average of valence-electron count. To evaluate the effectiveness of this metric, we examined body-centered cubic (bcc) refractory alloys that exhibit ductile-to-brittle behavior. Our findings demonstrate that local-charge behavior can be tuned via composition to enhance ductility in RMPEAs. With finite-sized cell effects eliminated, the LLD metric accurately predicted the ductility of arbitrary alloys, which compares well with existing tensile-elongation experiments. To validate further, we qualitatively evaluated the ductility of two refractory RMPEAs, i.e., NbTaMoW and Mo₇₂W₁₃Ta₁₀Ti_2.5Zr_2.5, through the observation of crack formation under indentation, again showing excellent agreement with LLD predictions. Additionally, a comparative study of three refractory alloys provides further insights into the electronic-structure origin of ductility in refractory RMPEAs. This proposed metric enables rapid and accurate assessment of ductility behavior in the vast RMPEA composition space.

Authors:

^[1];

^[2]; Ouyang, Gaoyuan ^[1];

^[1]; Cui, Jun ^[1]; Arroyave, Raymundo ^[2];

^[1]

Ames Laboratory, and Iowa State University, Ames, IA (United States)
Texas A & M University, College Station, TX (United States)

Publication Date:: Tue Jun 27 00:00:00 EDT 2023

Research Org.:: Ames Laboratory (AMES), Ames, IA (United States); Texas A & M Univ., College Station, TX (United States)

Sponsoring Org.:: USDOE Laboratory Directed Research and Development (LDRD) Program; National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); USDOE Advanced Research Projects Agency - Energy (ARPA-E)

OSTI Identifier:: 1992675

Alternate Identifier(s):: OSTI ID: 2202737

Report Number(s):: IS-J 11,097
Journal ID: ISSN 1359-6454

Grant/Contract Number:: AC02-07CH11358; 1746932; 2119103; AR0001427

Resource Type:: Accepted Manuscript

Journal Name:: Acta Materialia

Additional Journal Information:: Journal Volume: 257; Journal ID: ISSN 1359-6454

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; Ductility; Multi-principal-element alloys; DFT; CALPHAD; Experiment

Citation Formats


                    Singh, Prashant, Vela, Brent, Ouyang, Gaoyuan, Argibay, Nicolas, Cui, Jun, Arroyave, Raymundo, and Johnson, Duane D. A ductility metric for refractory-based multi-principal-element alloys.  United States: N. p., 2023. 
Web.  doi:10.1016/j.actamat.2023.119104.

Copy to clipboard


                    Singh, Prashant, Vela, Brent, Ouyang, Gaoyuan, Argibay, Nicolas, Cui, Jun, Arroyave, Raymundo, & Johnson, Duane D. A ductility metric for refractory-based multi-principal-element alloys.  United States.  https://doi.org/10.1016/j.actamat.2023.119104

Copy to clipboard


                    Singh, Prashant, Vela, Brent, Ouyang, Gaoyuan, Argibay, Nicolas, Cui, Jun, Arroyave, Raymundo, and Johnson, Duane D. Tue .  
"A ductility metric for refractory-based multi-principal-element alloys".  United States.  https://doi.org/10.1016/j.actamat.2023.119104.

Copy to clipboard


                    
@article{osti_1992675,

  title        = {A ductility metric for refractory-based multi-principal-element alloys},

  author       = {Singh, Prashant and Vela, Brent and Ouyang, Gaoyuan and Argibay, Nicolas and Cui, Jun and Arroyave, Raymundo and Johnson, Duane D.},

  abstractNote = {We propose a quantum-mechanical dimensionless metric, the local-lattice distortion (LLD), as a reliable predictor of ductility in refractory multi-principal-element alloys (RMPEAs). The LLD metric is based on electronegativity differences in localized chemical environments and combines atomic-scale displacements due to local lattice distortions with a weighted average of valence-electron count. To evaluate the effectiveness of this metric, we examined body-centered cubic (bcc) refractory alloys that exhibit ductile-to-brittle behavior. Our findings demonstrate that local-charge behavior can be tuned via composition to enhance ductility in RMPEAs. With finite-sized cell effects eliminated, the LLD metric accurately predicted the ductility of arbitrary alloys, which compares well with existing tensile-elongation experiments. To validate further, we qualitatively evaluated the ductility of two refractory RMPEAs, i.e., NbTaMoW and Mo72W13Ta10Ti2.5Zr2.5, through the observation of crack formation under indentation, again showing excellent agreement with LLD predictions. Additionally, a comparative study of three refractory alloys provides further insights into the electronic-structure origin of ductility in refractory RMPEAs. This proposed metric enables rapid and accurate assessment of ductility behavior in the vast RMPEA composition space.},

  doi          = {10.1016/j.actamat.2023.119104},

  journal      = {Acta Materialia},

  number       = ,

  volume       = 257,

  place        = {United States},

  year         = {Tue Jun 27 00:00:00 EDT 2023},

  month        = {Tue Jun 27 00:00:00 EDT 2023}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

This content will become publicly available on June 27, 2024

Publisher's Version of Record

https://doi.org/10.1016/j.actamat.2023.119104

Other availability

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
DOI: 10.1103/PhysRevLett.77.3865

A geometric model for intrinsic residual strain and phase stability in high entropy alloys
journal, August 2015

Ye, Y. F.; Liu, C. T.; Yang, Y.
Acta Materialia, Vol. 94
DOI: 10.1016/j.actamat.2015.04.051

Ultrastrong Medium-Entropy Single-Phase Alloys Designed via Severe Lattice Distortion
journal, December 2018

Sohn, Seok Su; Kwiatkowski da Silva, Alisson; Ikeda, Yuji
Advanced Materials, Vol. 31, Issue 8
DOI: 10.1002/adma.201807142

An assessment of the lattice strain in the CrMnFeCoNi high-entropy alloy
journal, January 2017

Owen, L. R.; Pickering, E. J.; Playford, H. Y.
Acta Materialia, Vol. 122
DOI: 10.1016/j.actamat.2016.09.032

High strength Fe–Mn–(Al, Si) TRIP/TWIP steels development — properties — application
journal, January 2000

Grässel, O.; Krüger, L.; Frommeyer, G.
International Journal of Plasticity, Vol. 16, Issue 10-11
DOI: 10.1016/S0749-6419(00)00015-2

Microstructural development in equiatomic multicomponent alloys
journal, July 2004

Cantor, B.; Chang, I. T. H.; Knight, P.
Materials Science and Engineering: A, Vol. 375-377
DOI: 10.1016/j.msea.2003.10.257

Optimization of strength and ductility in nanocrystalline and ultrafine grained metals
journal, October 2003

Koch, C.
Scripta Materialia, Vol. 49, Issue 7
DOI: 10.1016/S1359-6462(03)00394-4

First-principles prediction of incipient order in arbitrary high-entropy alloys: exemplified in Ti0.25CrFeNiAl
journal, May 2020

Singh, Prashant; Smirnov, A. V.; Alam, Aftab
Acta Materialia, Vol. 189
DOI: 10.1016/j.actamat.2020.02.063

Phase-Transformation Ductilization of Brittle High-Entropy Alloys via Metastability Engineering
journal, June 2017

Huang, Hailong; Wu, Yuan; He, Junyang
Advanced Materials, Vol. 29, Issue 30
DOI: 10.1002/adma.201701678

Microstructure and room temperature properties of a high-entropy TaNbHfZrTi alloy
journal, May 2011

Senkov, O. N.; Scott, J. M.; Senkova, S. V.
Journal of Alloys and Compounds, Vol. 509, Issue 20
DOI: 10.1016/j.jallcom.2011.02.171

Tuning Ideal Tensile Strengths and Intrinsic Ductility of bcc Refractory Alloys
journal, March 2014

Qi, Liang; Chrzan, D. C.
Physical Review Letters, Vol. 112, Issue 11
DOI: 10.1103/PhysRevLett.112.115503

The brittle-ductile transition in silicon
journal, July 1991

Hirsch, P. B.; Roberts, S. G.
Philosophical Magazine A, Vol. 64, Issue 1
DOI: 10.1080/01418619108206126

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Kresse, G.; Joubert, D.
Physical Review B, Vol. 59, Issue 3, p. 1758-1775
DOI: 10.1103/PhysRevB.59.1758

Alloy design for intrinsically ductile refractory high-entropy alloys
journal, October 2016

Sheikh, Saad; Shafeie, Samrand; Hu, Qiang
Journal of Applied Physics, Vol. 120, Issue 16
DOI: 10.1063/1.4966659

Generalization of intrinsic ductile-to-brittle criteria by Pugh and Pettifor for materials with a cubic crystal structure
journal, February 2021

Senkov, O. N.; Miracle, D. B.
Scientific Reports, Vol. 11, Issue 1
DOI: 10.1038/s41598-021-83953-z

Mechanical performance of the Al x CoCrCuFeNi high-entropy alloy system with multiprincipal elements
journal, May 2005

Tong, Chung-Jin; Chen, Min-Rui; Yeh, Jien-Wei
Metallurgical and Materials Transactions A, Vol. 36, Issue 5
DOI: 10.1007/s11661-005-0218-9

Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin
journal, May 2018

Singh, Prashant; Smirnov, A. V.; Johnson, Duane D.
Physical Review Materials, Vol. 2, Issue 5
DOI: 10.1103/PhysRevMaterials.2.055004

Design of high-strength refractory complex solid-solution alloys
journal, March 2018

Singh, Prashant; Sharma, Aayush; Smirnov, A. V.
npj Computational Materials, Vol. 4, Issue 1
DOI: 10.1038/s41524-018-0072-0

Dislocations in semiconductors
journal, September 1985

Hirsch, P. B.
Materials Science and Technology, Vol. 1, Issue 9
DOI: 10.1179/mst.1985.1.9.666

Lattice Distortions in the FeCoNiCrMn High Entropy Alloy Studied by Theory and Experiment
journal, September 2016

Oh, Hyun; Ma, Duancheng; Leyson, Gerard
Entropy, Vol. 18, Issue 9
DOI: 10.3390/e18090321

Design and tensile properties of a bcc Ti-rich high-entropy alloy with transformation-induced plasticity
journal, August 2016

Lilensten, Lola; Couzinié, Jean-Philippe; Bourgon, Julie
Materials Research Letters, Vol. 5, Issue 2
DOI: 10.1080/21663831.2016.1221861

Effect of local lattice distortion on the core structure of edge dislocation in NbMoTaW multi-principal element alloys and the subsystems
journal, October 2022

Yang, Duoduo; Chen, Bing; Li, Suzhi
Materials Science and Engineering: A, Vol. 855
DOI: 10.1016/j.msea.2022.143869

On lattice trapping of cracks
journal, July 1990

Curtin, W. A.
Journal of Materials Research, Vol. 5, Issue 7
DOI: 10.1557/JMR.1990.1549

Universal Maximum Strength of Solid Metals and Alloys
journal, April 2023

Johnson, Duane D.; Singh, Prashant; Smirnov, A. V.
Physical Review Letters, Vol. 130, Issue 16
DOI: 10.1103/PhysRevLett.130.166101

Fundamental deformation behavior in high-entropy alloys: An overview
journal, October 2017

Diao, H. Y.; Feng, R.; Dahmen, K. A.
Current Opinion in Solid State and Materials Science, Vol. 21, Issue 5
DOI: 10.1016/j.cossms.2017.08.003

A ductility criterion for bcc high entropy alloys
journal, July 2021

Mak, Eleanor; Yin, Binglun; Curtin, W. A.
Journal of the Mechanics and Physics of Solids, Vol. 152
DOI: 10.1016/j.jmps.2021.104389

Microstructural Design for Improving Ductility of An Initially Brittle Refractory High Entropy Alloy
journal, June 2018

Soni, V.; Senkov, O. N.; Gwalani, B.
Scientific Reports, Vol. 8, Issue 1
DOI: 10.1038/s41598-018-27144-3

The conflicts between strength and toughness
journal, October 2011

Ritchie, Robert O.
Nature Materials, Vol. 10, Issue 11
DOI: 10.1038/nmat3115

Lattice distortion in a strong and ductile refractory high-entropy alloy
journal, November 2018

Lee, Chanho; Song, Gian; Gao, Michael C.
Acta Materialia, Vol. 160
DOI: 10.1016/j.actamat.2018.08.053

Alloy Design Strategies and Future Trends in High-Entropy Alloys
journal, October 2013

Yeh, Jien-Wei
JOM, Vol. 65, Issue 12
DOI: 10.1007/s11837-013-0761-6

Solid-solution strengthening in refractory high entropy alloys
journal, August 2019

Coury, Francisco Gil; Kaufman, Michael; Clarke, Amy J.
Acta Materialia, Vol. 175
DOI: 10.1016/j.actamat.2019.06.006

First-Principles Calculation
book, January 2019

Ching, Wai-Yim
Springer Handbook of Glass
DOI: 10.1007/978-3-319-93728-1_31

Intrinsic plasticity or brittleness of metallic glasses
journal, February 2005

Lewandowski *, J. J.; Wang, W. H.; Greer, A. L.
Philosophical Magazine Letters, Vol. 85, Issue 2
DOI: 10.1080/09500830500080474

Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion
journal, October 2012

Niu, Haiyang; Chen, Xing-Qiu; Liu, Peitao
Scientific Reports, Vol. 2, Issue 1
DOI: 10.1038/srep00718

Microstructures and Crackling Noise of AlxNbTiMoV High Entropy Alloys
journal, February 2014

Chen, Shu; Yang, Xiao; Dahmen, Karin
Entropy, Vol. 16, Issue 2
DOI: 10.3390/e16020870

Precipitation strengthening of ductile Cr 15 Fe 20 Co 35 Ni 20 Mo 10 alloys
journal, August 2017

Ming, Kaisheng; Bi, Xiaofang; Wang, Jian
Scripta Materialia, Vol. 137
DOI: 10.1016/j.scriptamat.2017.05.019

Brittle fracture and the brittle-to-ductile transition of tungsten
journal, December 2003

Gumbsch, Peter
Journal of Nuclear Materials, Vol. 323, Issue 2-3
DOI: 10.1016/j.jnucmat.2003.08.009

High-throughput exploration of the WMoVTaNbAl refractory multi-principal-element alloys under multiple-property constraints
journal, April 2023

Vela, Brent; Acemi, Cafer; Singh, Prashant
Acta Materialia, Vol. 248
DOI: 10.1016/j.actamat.2023.118784

Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes
journal, May 2004

Yeh, J.-W.; Chen, S.-K.; Lin, S.-J.
Advanced Engineering Materials, Vol. 6, Issue 5, p. 299-303
DOI: 10.1002/adem.200300567

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Kresse, G.; Furthmüller, J.
Physical Review B, Vol. 54, Issue 16, p. 11169-11186
DOI: 10.1103/PhysRevB.54.11169

Compositional effect on microstructure and properties of NbTiZr-based complex concentrated alloys
journal, June 2018

Senkov, O. N.; Rao, S.; Chaput, K. J.
Acta Materialia, Vol. 151
DOI: 10.1016/j.actamat.2018.03.065

Estimation of diffusional effects on solution hardening at high temperatures in single phase compositionally complex body centered cubic alloys
journal, November 2019

Rao, S. I.; Woodward, C.; Akdim, B.
Scripta Materialia, Vol. 172
DOI: 10.1016/j.scriptamat.2019.07.025

Microstructure and properties of a refractory NbCrMo0.5Ta0.5TiZr alloy
journal, November 2011

Senkov, O. N.; Woodward, C. F.
Materials Science and Engineering: A, Vol. 529
DOI: 10.1016/j.msea.2011.09.033

Solid-Solution Phase Formation Rules for Multi-component Alloys
journal, June 2008

Zhang, Y.; Zhou, Y. J.; Lin, J. P.
Advanced Engineering Materials, Vol. 10, Issue 6, p. 534-538
DOI: 10.1002/adem.200700240

High-content ductile coherent nanoprecipitates achieve ultrastrong high-entropy alloys
journal, October 2018

Liang, Yao-Jian; Wang, Linjing; Wen, Yuren
Nature Communications, Vol. 9, Issue 1
DOI: 10.1038/s41467-018-06600-8

Quantifying local lattice distortions in alloys
journal, October 2020

Owen, L. R.; Jones, N. G.
Scripta Materialia, Vol. 187
DOI: 10.1016/j.scriptamat.2020.06.030

Mechanistic origin of high strength in refractory BCC high entropy alloys up to 1900K
journal, January 2020

Maresca, Francesco; Curtin, William A.
Acta Materialia, Vol. 182
DOI: 10.1016/j.actamat.2019.10.015

Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys
journal, October 2015

Zhang, Yanwen; Stocks, G. Malcolm; Jin, Ke
Nature Communications, Vol. 6, Issue 1
DOI: 10.1038/ncomms9736

Local Atomic Structure of a High-Entropy Alloy: An X-Ray and Neutron Scattering Study
journal, November 2012

Guo, Wei; Dmowski, Wojciech; Noh, Ji-Yong
Metallurgical and Materials Transactions A, Vol. 44, Issue 5
DOI: 10.1007/s11661-012-1474-0

Tuning phase stability and short-range order through Al doping in ( CoCrFeMn ) 100 − x A l x high-entropy alloys
journal, July 2019

Singh, Prashant; Marshal, Amalraj; Smirnov, A. V.
Physical Review Materials, Vol. 3, Issue 7
DOI: 10.1103/PhysRevMaterials.3.075002

Improved tetrahedron method for Brillouin-zone integrations
journal, June 1994

Blöchl, Peter E.; Jepsen, O.; Andersen, O. K.
Physical Review B, Vol. 49, Issue 23
DOI: 10.1103/PhysRevB.49.16223

Investigation of early stage deformation mechanisms in a metastable β titanium alloy showing combined twinning-induced plasticity and transformation-induced plasticity effects
journal, October 2013

Sun, F.; Zhang, J. Y.; Marteleur, M.
Acta Materialia, Vol. 61, Issue 17
DOI: 10.1016/j.actamat.2013.07.019

Crack blunting effects on dislocation emission from cracks
journal, February 1994

Zhou, S. J.; Carlsson, A. E.; Thomson, Robb
Physical Review Letters, Vol. 72, Issue 6
DOI: 10.1103/PhysRevLett.72.852

Solid solution alloys of AlCoCrFeNiTix with excellent room-temperature mechanical properties
journal, April 2007

Zhou, Y. J.; Zhang, Y.; Wang, Y. L.
Applied Physics Letters, Vol. 90, Issue 18
DOI: 10.1063/1.2734517

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
journal, February 2013

Ong, Shyue Ping; Richards, William Davidson; Jain, Anubhav
Computational Materials Science, Vol. 68
DOI: 10.1016/j.commatsci.2012.10.028

Theory of screw dislocation strengthening in random BCC alloys from dilute to “High-Entropy” alloys
journal, January 2020

Maresca, Francesco; Curtin, William A.
Acta Materialia, Vol. 182
DOI: 10.1016/j.actamat.2019.10.007

Engineering atomic-level complexity in high-entropy and complex concentrated alloys
journal, May 2019

Oh, Hyun Seok; Kim, Sang Jun; Odbadrakh, Khorgolkhuu
Nature Communications, Vol. 10, Issue 1
DOI: 10.1038/s41467-019-10012-7

Accelerating computational modeling and design of high-entropy alloys
journal, January 2021

Singh, Rahul; Sharma, Aayush; Singh, Prashant
Nature Computational Science, Vol. 1, Issue 1
DOI: 10.1038/s43588-020-00006-7

Effect of Ti additions on mechanical properties of NbMoTaW and VNbMoTaW refractory high entropy alloys
journal, May 2017

Han, Z. D.; Chen, N.; Zhao, S. F.
Intermetallics, Vol. 84
DOI: 10.1016/j.intermet.2017.01.007

Mechanical properties of Nb25Mo25Ta25W25 and V20Nb20Mo20Ta20W20 refractory high entropy alloys
journal, May 2011

Senkov, O. N.; Wilks, G. B.; Scott, J. M.
Intermetallics, Vol. 19, Issue 5
DOI: 10.1016/j.intermet.2011.01.004

Design of a novel Mn-based 1GPa duplex stainless TRIP steel with 60% ductility by a reduction of austenite stability
journal, June 2011

Herrera, C.; Ponge, D.; Raabe, D.
Acta Materialia, Vol. 59, Issue 11
DOI: 10.1016/j.actamat.2011.04.011

Instabilities and ductility of nanocrystalline and ultrafine-grained metals
journal, October 2003

Ma, E.
Scripta Materialia, Vol. 49, Issue 7
DOI: 10.1016/S1359-6462(03)00396-8

Refractory high-entropy alloys
journal, September 2010

Senkov, O. N.; Wilks, G. B.; Miracle, D. B.
Intermetallics, Vol. 18, Issue 9
DOI: 10.1016/j.intermet.2010.05.014

Correlation between lattice distortion and friction stress in Ni-based equiatomic alloys
journal, July 2017

Zhao, Y. Y.; Nieh, T. G.
Intermetallics, Vol. 86
DOI: 10.1016/j.intermet.2017.03.011

Ductile versus brittle behaviour of crystals
journal, January 1974

Rice, James R.; Thomson, Robb
The Philosophical Magazine: A Journal of Theoretical Experimental and Applied Physics, Vol. 29, Issue 1
DOI: 10.1080/14786437408213555

Predicting whether a material is ductile or brittle
journal, June 2018

Thompson, R. P.; Clegg, W. J.
Current Opinion in Solid State and Materials Science, Vol. 22, Issue 3
DOI: 10.1016/j.cossms.2018.04.001

NbTaV-(Ti,W) refractory high-entropy alloys: Experiments and modeling
journal, September 2016

Yao, H. W.; Qiao, J. W.; Gao, M. C.
Materials Science and Engineering: A, Vol. 674
DOI: 10.1016/j.msea.2016.07.102

Eight routes to improve the tensile ductility of bulk nanostructured metals and alloys
journal, April 2006

Ma, E.
JOM, Vol. 58, Issue 4
DOI: 10.1007/s11837-006-0215-5

Microstructures and properties of high-entropy alloys
journal, April 2014

Zhang, Yong; Zuo, Ting Ting; Tang, Zhi
Progress in Materials Science, Vol. 61
DOI: 10.1016/j.pmatsci.2013.10.001

Enhanced strength–ductility synergy in ultrafine-grained eutectic high-entropy alloys by inheriting microstructural lamellae
journal, January 2019

Shi, Peijian; Ren, Weili; Zheng, Tianxiang
Nature Communications, Vol. 10, Issue 1
DOI: 10.1038/s41467-019-08460-2

Microstructure and Room Temperature Mechanical Properties of Different 3 and 4 Element Medium Entropy Alloys from HfNbTaTiZr System
journal, January 2019

Zýka, Jiří; Málek, Jaroslav; Veselý, Jaroslav
Entropy, Vol. 21, Issue 2
DOI: 10.3390/e21020114

Multicomponent intermetallic nanoparticles and superb mechanical behaviors of complex alloys
journal, November 2018

Yang, T.; Zhao, Y. L.; Tong, Y.
Science, Vol. 362, Issue 6417
DOI: 10.1126/science.aas8815

Towards strength–ductility synergy through the design of heterogeneous nanostructures in metals
journal, July 2017

Ma, Evan; Zhu, Ting
Materials Today, Vol. 20, Issue 6
DOI: 10.1016/j.mattod.2017.02.003

Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys
journal, February 2021

Ikeda, Yuji; Gubaev, Konstantin; Neugebauer, Jörg
npj Computational Materials, Vol. 7, Issue 1
DOI: 10.1038/s41524-021-00502-y

Friction stress and Hall-Petch relationship in CoCrNi equi-atomic medium entropy alloy processed by severe plastic deformation and subsequent annealing
journal, June 2017

Yoshida, Shuhei; Bhattacharjee, Tilak; Bai, Yu
Scripta Materialia, Vol. 134
DOI: 10.1016/j.scriptamat.2017.02.042

Metastable high-entropy dual-phase alloys overcome the strength–ductility trade-off
journal, May 2016

Li, Zhiming; Pradeep, Konda Gokuldoss; Deng, Yun
Nature, Vol. 534, Issue 7606
DOI: 10.1038/nature17981

Temperature dependence of elastic and plastic deformation behavior of a refractory high-entropy alloy
journal, September 2020

Lee, Chanho; Kim, George; Chou, Yi
Science Advances, Vol. 6, Issue 37
DOI: 10.1126/sciadv.aaz4748

Mechanistic origin and prediction of enhanced ductility in magnesium alloys
journal, January 2018

Wu, Zhaoxuan; Ahmad, Rasool; Yin, Binglun
Science, Vol. 359, Issue 6374
DOI: 10.1126/science.aap8716

Origins of compositional order in NiPt alloys
journal, February 1991

Pinski, F. J.; Ginatempo, B.; Johnson, D. D.
Physical Review Letters, Vol. 66, Issue 6
DOI: 10.1103/PhysRevLett.66.766

Atomic short-range order and incipient long-range order in high-entropy alloys
journal, June 2015

Singh, Prashant; Smirnov, A. V.; Johnson, D. D.
Physical Review B, Vol. 91, Issue 22
DOI: 10.1103/PhysRevB.91.224204

Strengthening in multi-principal element alloys with local-chemical-order roughened dislocation pathways
journal, August 2019

Li, Qing-Jie; Sheng, Howard; Ma, Evan
Nature Communications, Vol. 10, Issue 1
DOI: 10.1038/s41467-019-11464-7

Fracture Toughness Determinations by Indentation
journal, July 1976

Evans, A. G.; Charles, E. A.
Journal of the American Ceramic Society, Vol. 59, Issue 7-8
DOI: 10.1111/j.1151-2916.1976.tb10991.x

Modelling plastic zones and the brittle-ductile transition
journal, October 1997

Hirsch, P. B.; Roberts, S. G.
Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences, Vol. 355, Issue 1731
DOI: 10.1098/rsta.1997.0101

Atomistic simulations of dislocations in a model BCC multicomponent concentrated solid solution alloy
journal, February 2017

Rao, S. I.; Varvenne, C.; Woodward, C.
Acta Materialia, Vol. 125
DOI: 10.1016/j.actamat.2016.12.011

Efficient creation and convergence of surface slabs
journal, November 2013

Sun, Wenhao; Ceder, Gerbrand
Surface Science, Vol. 617
DOI: 10.1016/j.susc.2013.05.016

MoNbTaV Medium-Entropy Alloy
journal, May 2016

Yao, Hongwei; Qiao, Jun-Wei; Gao, Michael
Entropy, Vol. 18, Issue 5
DOI: 10.3390/e18050189

Significant lattice-distortion effect on compressive deformation in Mo-added CoCrFeNi-based high-entropy alloys
journal, January 2022

Li, Jiaxiang; Yamanaka, Kenta; Chiba, Akihiko
Materials Science and Engineering: A, Vol. 830
DOI: 10.1016/j.msea.2021.142295

Ductile Nb alloys with reduced density and cost
journal, November 2019

Senkov, O. N.; Rao, S. I.; Butler, T. M.
Journal of Alloys and Compounds, Vol. 808
DOI: 10.1016/j.jallcom.2019.151685

Theoretical predictions of structure and related properties of intermetallics
journal, April 1992

Pettifor, D. G.
Materials Science and Technology, Vol. 8, Issue 4
DOI: 10.1179/mst.1992.8.4.345

Effect of the atomic size distribution on glass forming ability of amorphous metallic alloys
journal, October 2001

Senkov, O. N.; Miracle, D. B.
Materials Research Bulletin, Vol. 36, Issue 12
DOI: 10.1016/S0025-5408(01)00715-2

Valence electron concentration as an indicator for mechanical properties in rocksalt structure nitrides, carbides and carbonitrides
journal, June 2018

Balasubramanian, Karthik; Khare, Sanjay V.; Gall, Daniel
Acta Materialia, Vol. 152
DOI: 10.1016/j.actamat.2018.04.033

Atomistic Study of Dislocation Loop Emission from a Crack Tip
journal, July 2004

Zhu, Ting; Li, Ju; Yip, Sidney
Physical Review Letters, Vol. 93, Issue 2
DOI: 10.1103/PhysRevLett.93.025503

Special points for Brillouin-zone integrations
journal, June 1976

Monkhorst, Hendrik J.; Pack, James D.
Physical Review B, Vol. 13, Issue 12, p. 5188-5192
DOI: 10.1103/PhysRevB.13.5188

Vacancy formation energies and migration barriers in multi-principal element alloys
journal, March 2022

Roy, Ankit; Singh, Prashant; Balasubramanian, Ganesh
Acta Materialia, Vol. 226
DOI: 10.1016/j.actamat.2021.117611

Theory of strengthening in fcc high entropy alloys
journal, October 2016

Varvenne, Céline; Luque, Aitor; Curtin, William A.
Acta Materialia, Vol. 118
DOI: 10.1016/j.actamat.2016.07.040

Microstructures and mechanical properties of ductile NbTaTiV refractory high entropy alloy prepared by powder metallurgy
journal, March 2019

Guo, Wenmin; Liu, Bin; Liu, Yong
Journal of Alloys and Compounds, Vol. 776
DOI: 10.1016/j.jallcom.2018.10.230

Martensitic Transformation in ${Fe}_{x} {Mn}_{80 - x} {Co}_{10} {Cr}_{10}$ High-Entropy Alloy
journal, September 2021

Singh, P.; Picak, S.; Sharma, A.
Physical Review Letters, Vol. 127, Issue 11
DOI: 10.1103/PhysRevLett.127.115704

A critical review of high entropy alloys and related concepts
journal, January 2017

Miracle, D. B.; Senkov, O. N.
Acta Materialia, Vol. 122
DOI: 10.1016/j.actamat.2016.08.081

Screening of generalized stacking fault energies, surface energies and intrinsic ductile potency of refractory multicomponent alloys
journal, May 2021

Hu, Yong-Jie; Sundar, Aditya; Ogata, Shigenobu
Acta Materialia, Vol. 210
DOI: 10.1016/j.actamat.2021.116800

Friction and wear behavior of a single-phase equiatomic TiZrHfNb high-entropy alloy studied using a nanoscratch technique
journal, April 2018

Ye, Y. X.; Liu, C. Z.; Wang, H.
Acta Materialia, Vol. 147
DOI: 10.1016/j.actamat.2018.01.014

Stability and electronic structure of the Co–P compounds from first-principle calculations
journal, January 2011

Yang, Zhenhua; Liu, Li; Wang, Xianyou
Journal of Alloys and Compounds, Vol. 509, Issue 1
DOI: 10.1016/j.jallcom.2010.09.018

Retaining ductility
journal, June 2004

Zhu, Yuntian T.; Liao, Xiaozhou
Nature Materials, Vol. 3, Issue 6
DOI: 10.1038/nmat1141

Dislocation nucleation from a crack tip: An analysis based on the Peierls concept
journal, January 1992

Rice, James R.
Journal of the Mechanics and Physics of Solids, Vol. 40, Issue 2
DOI: 10.1016/S0022-5096(05)80012-2

Toward a quantitative understanding of mechanical behavior of nanocrystalline metals
journal, July 2007

Dao, M.; Lu, L.; Asaro, R.
Acta Materialia, Vol. 55, Issue 12
DOI: 10.1016/j.actamat.2007.01.038

Microstructure and mechanical properties of CoCrFeNiTiAlx high-entropy alloys
journal, May 2009

Zhang, K. B.; Fu, Z. Y.; Zhang, J. Y.
Materials Science and Engineering: A, Vol. 508, Issue 1-2
DOI: 10.1016/j.msea.2008.12.053

Dynamically reinforced heterogeneous grain structure prolongs ductility in a medium-entropy alloy with gigapascal yield strength
journal, June 2018

Yang, Muxin; Yan, Dingshun; Yuan, Fuping
Proceedings of the National Academy of Sciences, Vol. 115, Issue 28
DOI: 10.1073/pnas.1807817115

Atomic-Scale Mechanism of Crack-Tip Plasticity: Dislocation Nucleation and Crack-Tip Shielding
journal, August 1997

Cleri, Fabrizio; Yip, Sidney; Wolf, Dieter
Physical Review Letters, Vol. 79, Issue 7
DOI: 10.1103/PhysRevLett.79.1309

Hierarchical features infused heterogeneous grain structure for extraordinary strength-ductility synergy
journal, October 2018

Shukla, Shivakant; Choudhuri, Deep; Wang, Tianhao
Materials Research Letters, Vol. 6, Issue 12
DOI: 10.1080/21663831.2018.1538023

Anomalous decrease in X-ray diffraction intensities of Cu–Ni–Al–Co–Cr–Fe–Si alloy systems with multi-principal elements
journal, May 2007

Yeh, Jien-Wei; Chang, Shou-Yi; Hong, Yu-Der
Materials Chemistry and Physics, Vol. 103, Issue 1
DOI: 10.1016/j.matchemphys.2007.01.003

CALPHAD and rule-of-mixtures: A comparative study for refractory high entropy alloys
journal, December 2020

Shaikh, Sufyan M.; Hariharan, V. S.; Yadav, Satyesh K.
Intermetallics, Vol. 127
DOI: 10.1016/j.intermet.2020.106926

On the design of new β-metastable titanium alloys with improved work hardening rate thanks to simultaneous TRIP and TWIP effects
journal, May 2012

Marteleur, Matthieu; Sun, Fan; Gloriant, Thierry
Scripta Materialia, Vol. 66, Issue 10
DOI: 10.1016/j.scriptamat.2012.01.049

Design of refractory multi-principal-element alloys for high-temperature applications
journal, August 2023

Ouyang, Gaoyuan; Singh, Prashant; Su, Ranran
npj Computational Materials, Vol. 9, Issue 1
DOI: 10.1038/s41524-023-01095-4

Similar Records in DOE PAGES and OSTI.GOV collections:

High-throughput exploration of the WMoVTaNbAl refractory multi-principal-element alloys under multiple-property constraints

Journal Article Vela, Brent ; Acemi, Cafer ; Singh, Prashant ; ... - Acta Materialia

Development of next-generation gas turbines requires the design and fabrication of novel high-temperature structural materials capable of operating beyond 1300°C. Here, we propose a high-throughput alloy design framework under multiple-property constraints to discover new refractory multi-principal element alloys (MPEAs) for high-temperature applications. The framework treats the development of MPEAs as a composition-agnostic constraint satisfaction problem, i.e., no prescriptions are made concerning the design space before performing investigatory calculations. We target alloys in the WMoVTaNbAl chemistry space that are predicted to meet constraints on the following properties simultaneously: single-phase stability, density, solidus temperature, yield strength at 1300°C, and ductile-to-brittle-transition temperature. Thesemore »« less
https://doi.org/10.1016/j.actamat.2023.118784

Full Text Available
Multi-objective materials bayesian optimization with active learning of design constraints: Design of ductile refractory multi-principal-element alloys

Journal Article Khatamsaz, Danial ; Vela, Brent ; Singh, Prashant ; ... - Acta Materialia

We report Bayesian Optimization (BO) has emerged as a powerful framework to efficiently explore and exploit materials design spaces. To date, most BO approaches to materials design have focused on the materials discovery problem as if it were a single expensive-to-query ‘black box’ in which the target is to optimize a single objective (i.e., material property or performance metric). Also, such approaches tend to be constraint agnostic. Here, we present a novel multi-information BO framework capable of actively learning materials design as a multiple objectives and constraints problem. We demonstrate this framework by optimally exploring a Refractory Multi-Principal-Element Alloy (MPEA)more »« less
https://doi.org/10.1016/j.actamat.2022.118133

Full Text Available
Design of refractory multi-principal-element alloys for high-temperature applications

Journal Article Ouyang, Gaoyuan ; Singh, Prashant ; Su, Ranran ; ... - npj Computational Materials

Absmore »« less
https://doi.org/10.1038/s41524-023-01095-4
Microstructural, phase, and thermophysical stability of CrMoNbV refractory multi-principal element alloys

Journal Article Shittu, Jibril ; Rietema, Connor J. ; Juhasz, Michael ; ... - Journal of Alloys and Compounds

Structural survivability of refractory multi-principal element alloys (RMPEAs) at high temperatures hinges on a combination of microstructure, phase, and thermophysical stabilities. In this study, we investigate the high-temperature stability of three compositions from the CrMoNbV system: Cr₇Mo₁₈Nb₃₅V₄₀, Cr₂₅Mo₂₅Nb₂₅V₂₅, and Cr₄₀Mo₄₅Nb₁₀V₅. The microstructure, high-temperature phase stability, coefficient of thermal expansion (CTE), and yield strength were evaluated up to 1300 °C. Results show that all three as-cast compositions have dendritic microstructures with an average grain size of ~100 µm and no preferred texture. High-temperature analysis of phase stability shows that Cr₇Mo₁₈Nb₃₅V₄₀ maintains a single-phase BCC structure from room temperature up to 1300more »« less
https://doi.org/10.1016/j.jallcom.2023.173349
Oxidation mechanism in a refractory multiple-principal-element alloy at high temperature

Journal Article Su, Ranran ; Zhang, Hongliang ; Ouyang, Gaoyuan ; ... - Acta Materialia

Refractory multiple-principal-element alloys (RMPEAs) are promising structural materials to enable increased power efficiency in high-temperature oxidation environments, but the oxidation behavior and microstructures of the oxides, especially at the beginning of the oxidation, have received limited attention. Here, the oxidation mechanism in an equimolar W-Mo-Ta-Nb-V was investigated at 1300 °C and compared with the equimolar W-Mo-Ta-Nb alloy without V. The oxide scale on WMoTaNbV after 1 min exposure is shown to be composed of a degradation layer at the interface of the alloy/oxide, an initial oxide transition layer, followed by the main phase aggregate oxide layer, and an outermost oxidemore »« less
https://doi.org/10.1016/j.actamat.2023.118719

Full Text Available

Similar Records

This content will become publicly available on Thu Jun 27 00:00:00 EDT 2024

Title: A ductility metric for refractory-based multi-principal-element alloys

Abstract

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

A geometric model for intrinsic residual strain and phase stability in high entropy alloys journal, August 2015

Ultrastrong Medium-Entropy Single-Phase Alloys Designed via Severe Lattice Distortion journal, December 2018

An assessment of the lattice strain in the CrMnFeCoNi high-entropy alloy journal, January 2017

High strength Fe–Mn–(Al, Si) TRIP/TWIP steels development — properties — application journal, January 2000

Microstructural development in equiatomic multicomponent alloys journal, July 2004

Optimization of strength and ductility in nanocrystalline and ultrafine grained metals journal, October 2003

First-principles prediction of incipient order in arbitrary high-entropy alloys: exemplified in Ti0.25CrFeNiAl journal, May 2020

Phase-Transformation Ductilization of Brittle High-Entropy Alloys via Metastability Engineering journal, June 2017

Microstructure and room temperature properties of a high-entropy TaNbHfZrTi alloy journal, May 2011

Tuning Ideal Tensile Strengths and Intrinsic Ductility of bcc Refractory Alloys journal, March 2014

The brittle-ductile transition in silicon journal, July 1991

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Alloy design for intrinsically ductile refractory high-entropy alloys journal, October 2016

Generalization of intrinsic ductile-to-brittle criteria by Pugh and Pettifor for materials with a cubic crystal structure journal, February 2021

Mechanical performance of the Al x CoCrCuFeNi high-entropy alloy system with multiprincipal elements journal, May 2005

Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin journal, May 2018

Design of high-strength refractory complex solid-solution alloys journal, March 2018

Dislocations in semiconductors journal, September 1985

Lattice Distortions in the FeCoNiCrMn High Entropy Alloy Studied by Theory and Experiment journal, September 2016

Design and tensile properties of a bcc Ti-rich high-entropy alloy with transformation-induced plasticity journal, August 2016

Effect of local lattice distortion on the core structure of edge dislocation in NbMoTaW multi-principal element alloys and the subsystems journal, October 2022

On lattice trapping of cracks journal, July 1990

Universal Maximum Strength of Solid Metals and Alloys journal, April 2023

Fundamental deformation behavior in high-entropy alloys: An overview journal, October 2017

A ductility criterion for bcc high entropy alloys journal, July 2021

Microstructural Design for Improving Ductility of An Initially Brittle Refractory High Entropy Alloy journal, June 2018

The conflicts between strength and toughness journal, October 2011

Lattice distortion in a strong and ductile refractory high-entropy alloy journal, November 2018

Alloy Design Strategies and Future Trends in High-Entropy Alloys journal, October 2013

Solid-solution strengthening in refractory high entropy alloys journal, August 2019

First-Principles Calculation book, January 2019

Intrinsic plasticity or brittleness of metallic glasses journal, February 2005

Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion journal, October 2012

Microstructures and Crackling Noise of AlxNbTiMoV High Entropy Alloys journal, February 2014

Precipitation strengthening of ductile Cr 15 Fe 20 Co 35 Ni 20 Mo 10 alloys journal, August 2017

Brittle fracture and the brittle-to-ductile transition of tungsten journal, December 2003

High-throughput exploration of the WMoVTaNbAl refractory multi-principal-element alloys under multiple-property constraints journal, April 2023

Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes journal, May 2004

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

Compositional effect on microstructure and properties of NbTiZr-based complex concentrated alloys journal, June 2018

Estimation of diffusional effects on solution hardening at high temperatures in single phase compositionally complex body centered cubic alloys journal, November 2019

Microstructure and properties of a refractory NbCrMo0.5Ta0.5TiZr alloy journal, November 2011

Solid-Solution Phase Formation Rules for Multi-component Alloys journal, June 2008

High-content ductile coherent nanoprecipitates achieve ultrastrong high-entropy alloys journal, October 2018

Quantifying local lattice distortions in alloys journal, October 2020

Mechanistic origin of high strength in refractory BCC high entropy alloys up to 1900K journal, January 2020

Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys journal, October 2015

Local Atomic Structure of a High-Entropy Alloy: An X-Ray and Neutron Scattering Study journal, November 2012

Tuning phase stability and short-range order through Al doping in ( CoCrFeMn ) 100 − x A l x high-entropy alloys journal, July 2019

Improved tetrahedron method for Brillouin-zone integrations journal, June 1994

Investigation of early stage deformation mechanisms in a metastable β titanium alloy showing combined twinning-induced plasticity and transformation-induced plasticity effects journal, October 2013

Crack blunting effects on dislocation emission from cracks journal, February 1994

Solid solution alloys of AlCoCrFeNiTix with excellent room-temperature mechanical properties journal, April 2007

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis journal, February 2013

Theory of screw dislocation strengthening in random BCC alloys from dilute to “High-Entropy” alloys journal, January 2020

Engineering atomic-level complexity in high-entropy and complex concentrated alloys journal, May 2019

Accelerating computational modeling and design of high-entropy alloys journal, January 2021

Effect of Ti additions on mechanical properties of NbMoTaW and VNbMoTaW refractory high entropy alloys journal, May 2017

Mechanical properties of Nb25Mo25Ta25W25 and V20Nb20Mo20Ta20W20 refractory high entropy alloys journal, May 2011

Design of a novel Mn-based 1GPa duplex stainless TRIP steel with 60% ductility by a reduction of austenite stability journal, June 2011

Instabilities and ductility of nanocrystalline and ultrafine-grained metals journal, October 2003

Refractory high-entropy alloys journal, September 2010

Correlation between lattice distortion and friction stress in Ni-based equiatomic alloys journal, July 2017

Ductile versus brittle behaviour of crystals journal, January 1974

Predicting whether a material is ductile or brittle journal, June 2018

NbTaV-(Ti,W) refractory high-entropy alloys: Experiments and modeling journal, September 2016

Eight routes to improve the tensile ductility of bulk nanostructured metals and alloys journal, April 2006

Microstructures and properties of high-entropy alloys journal, April 2014

Enhanced strength–ductility synergy in ultrafine-grained eutectic high-entropy alloys by inheriting microstructural lamellae journal, January 2019

Microstructure and Room Temperature Mechanical Properties of Different 3 and 4 Element Medium Entropy Alloys from HfNbTaTiZr System journal, January 2019

Multicomponent intermetallic nanoparticles and superb mechanical behaviors of complex alloys journal, November 2018

Towards strength–ductility synergy through the design of heterogeneous nanostructures in metals journal, July 2017

Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys journal, February 2021

Friction stress and Hall-Petch relationship in CoCrNi equi-atomic medium entropy alloy processed by severe plastic deformation and subsequent annealing journal, June 2017

Metastable high-entropy dual-phase alloys overcome the strength–ductility trade-off journal, May 2016

Generalized Gradient Approximation Made Simple
journal, October 1996

A geometric model for intrinsic residual strain and phase stability in high entropy alloys
journal, August 2015

Ultrastrong Medium-Entropy Single-Phase Alloys Designed via Severe Lattice Distortion
journal, December 2018

An assessment of the lattice strain in the CrMnFeCoNi high-entropy alloy
journal, January 2017

High strength Fe–Mn–(Al, Si) TRIP/TWIP steels development — properties — application
journal, January 2000

Microstructural development in equiatomic multicomponent alloys
journal, July 2004

Optimization of strength and ductility in nanocrystalline and ultrafine grained metals
journal, October 2003

First-principles prediction of incipient order in arbitrary high-entropy alloys: exemplified in Ti0.25CrFeNiAl
journal, May 2020

Phase-Transformation Ductilization of Brittle High-Entropy Alloys via Metastability Engineering
journal, June 2017

Microstructure and room temperature properties of a high-entropy TaNbHfZrTi alloy
journal, May 2011

Tuning Ideal Tensile Strengths and Intrinsic Ductility of bcc Refractory Alloys
journal, March 2014

The brittle-ductile transition in silicon
journal, July 1991

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Alloy design for intrinsically ductile refractory high-entropy alloys
journal, October 2016

Generalization of intrinsic ductile-to-brittle criteria by Pugh and Pettifor for materials with a cubic crystal structure
journal, February 2021

Mechanical performance of the Al x CoCrCuFeNi high-entropy alloy system with multiprincipal elements
journal, May 2005

Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin
journal, May 2018

Design of high-strength refractory complex solid-solution alloys
journal, March 2018

Dislocations in semiconductors
journal, September 1985

Lattice Distortions in the FeCoNiCrMn High Entropy Alloy Studied by Theory and Experiment
journal, September 2016

Design and tensile properties of a bcc Ti-rich high-entropy alloy with transformation-induced plasticity
journal, August 2016

Effect of local lattice distortion on the core structure of edge dislocation in NbMoTaW multi-principal element alloys and the subsystems
journal, October 2022

On lattice trapping of cracks
journal, July 1990

Universal Maximum Strength of Solid Metals and Alloys
journal, April 2023

Fundamental deformation behavior in high-entropy alloys: An overview
journal, October 2017

A ductility criterion for bcc high entropy alloys
journal, July 2021

Microstructural Design for Improving Ductility of An Initially Brittle Refractory High Entropy Alloy
journal, June 2018

The conflicts between strength and toughness
journal, October 2011

Lattice distortion in a strong and ductile refractory high-entropy alloy
journal, November 2018

Alloy Design Strategies and Future Trends in High-Entropy Alloys
journal, October 2013

Solid-solution strengthening in refractory high entropy alloys
journal, August 2019

First-Principles Calculation
book, January 2019

Intrinsic plasticity or brittleness of metallic glasses
journal, February 2005

Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion
journal, October 2012

Microstructures and Crackling Noise of AlxNbTiMoV High Entropy Alloys
journal, February 2014

Precipitation strengthening of ductile Cr 15 Fe 20 Co 35 Ni 20 Mo 10 alloys
journal, August 2017

Brittle fracture and the brittle-to-ductile transition of tungsten
journal, December 2003

High-throughput exploration of the WMoVTaNbAl refractory multi-principal-element alloys under multiple-property constraints
journal, April 2023

Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes
journal, May 2004

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Compositional effect on microstructure and properties of NbTiZr-based complex concentrated alloys
journal, June 2018

Estimation of diffusional effects on solution hardening at high temperatures in single phase compositionally complex body centered cubic alloys
journal, November 2019

Microstructure and properties of a refractory NbCrMo0.5Ta0.5TiZr alloy
journal, November 2011

Solid-Solution Phase Formation Rules for Multi-component Alloys
journal, June 2008

High-content ductile coherent nanoprecipitates achieve ultrastrong high-entropy alloys
journal, October 2018

Quantifying local lattice distortions in alloys
journal, October 2020

Mechanistic origin of high strength in refractory BCC high entropy alloys up to 1900K
journal, January 2020

Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys
journal, October 2015

Local Atomic Structure of a High-Entropy Alloy: An X-Ray and Neutron Scattering Study
journal, November 2012

Tuning phase stability and short-range order through Al doping in ( CoCrFeMn ) 100 − x A l x high-entropy alloys
journal, July 2019

Improved tetrahedron method for Brillouin-zone integrations
journal, June 1994

Investigation of early stage deformation mechanisms in a metastable β titanium alloy showing combined twinning-induced plasticity and transformation-induced plasticity effects
journal, October 2013

Crack blunting effects on dislocation emission from cracks
journal, February 1994

Solid solution alloys of AlCoCrFeNiTix with excellent room-temperature mechanical properties
journal, April 2007

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
journal, February 2013

Theory of screw dislocation strengthening in random BCC alloys from dilute to “High-Entropy” alloys
journal, January 2020

Engineering atomic-level complexity in high-entropy and complex concentrated alloys
journal, May 2019

Accelerating computational modeling and design of high-entropy alloys
journal, January 2021

Effect of Ti additions on mechanical properties of NbMoTaW and VNbMoTaW refractory high entropy alloys
journal, May 2017

Mechanical properties of Nb25Mo25Ta25W25 and V20Nb20Mo20Ta20W20 refractory high entropy alloys
journal, May 2011

Design of a novel Mn-based 1GPa duplex stainless TRIP steel with 60% ductility by a reduction of austenite stability
journal, June 2011

Instabilities and ductility of nanocrystalline and ultrafine-grained metals
journal, October 2003

Refractory high-entropy alloys
journal, September 2010

Correlation between lattice distortion and friction stress in Ni-based equiatomic alloys
journal, July 2017

Ductile versus brittle behaviour of crystals
journal, January 1974

Predicting whether a material is ductile or brittle
journal, June 2018

NbTaV-(Ti,W) refractory high-entropy alloys: Experiments and modeling
journal, September 2016

Eight routes to improve the tensile ductility of bulk nanostructured metals and alloys
journal, April 2006

Microstructures and properties of high-entropy alloys
journal, April 2014

Enhanced strength–ductility synergy in ultrafine-grained eutectic high-entropy alloys by inheriting microstructural lamellae
journal, January 2019

Microstructure and Room Temperature Mechanical Properties of Different 3 and 4 Element Medium Entropy Alloys from HfNbTaTiZr System
journal, January 2019

Multicomponent intermetallic nanoparticles and superb mechanical behaviors of complex alloys
journal, November 2018

Towards strength–ductility synergy through the design of heterogeneous nanostructures in metals
journal, July 2017

Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys
journal, February 2021

Friction stress and Hall-Petch relationship in CoCrNi equi-atomic medium entropy alloy processed by severe plastic deformation and subsequent annealing
journal, June 2017

Metastable high-entropy dual-phase alloys overcome the strength–ductility trade-off
journal, May 2016

Temperature dependence of elastic and plastic deformation behavior of a refractory high-entropy alloy
journal, September 2020

Mechanistic origin and prediction of enhanced ductility in magnesium alloys
journal, January 2018

Origins of compositional order in NiPt alloys
journal, February 1991

Atomic short-range order and incipient long-range order in high-entropy alloys
journal, June 2015