Criteria for Predicting the Formation of Single-Phase High-Entropy Alloys

Troparevsky, M. Claudia; Morris, James R.; Kent, Paul R. C.; Lupini, Andrew R.; Stocks, G. Malcolm

doi:10.1103/PhysRevX.5.011041

Title: Criteria for Predicting the Formation of Single-Phase High-Entropy Alloys

Abstract

High entropy alloys constitute a new class of materials whose very existence poses fundamental questions. Originally thought to be stabilized by the large entropy of mixing, these alloys have attracted attention due to their potential applications, yet no model capable of robustly predicting which combinations of elements will form a single-phase currently exists. Here we propose a model that, through the use of high-throughput computation of the enthalpies of formation of binary compounds, is able to confirm all known high-entropy alloys while rejecting similar alloys that are known to form multiple phases. Despite the increasing entropy, our model predicts that the number of potential single-phase multicomponent alloys decreases with an increasing number of components: out of more than two million possible 7-component alloys considered, fewer than twenty single-phase alloys are likely.

Authors:: Troparevsky, M. Claudia; Morris, James R.; Kent, Paul R. C.; Lupini, Andrew R.; Stocks, G. Malcolm

Publication Date:: Tue Mar 31 00:00:00 EDT 2015

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1180279

Alternate Identifier(s):: OSTI ID: 1185375

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Published Article

Journal Name:: Physical Review. X

Additional Journal Information:: Journal Name: Physical Review. X Journal Volume: 5 Journal Issue: 1; Journal ID: ISSN 2160-3308

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Troparevsky, M. Claudia, Morris, James R., Kent, Paul R. C., Lupini, Andrew R., and Stocks, G. Malcolm. Criteria for Predicting the Formation of Single-Phase High-Entropy Alloys.  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevX.5.011041.

Copy to clipboard


                    Troparevsky, M. Claudia, Morris, James R., Kent, Paul R. C., Lupini, Andrew R., & Stocks, G. Malcolm. Criteria for Predicting the Formation of Single-Phase High-Entropy Alloys.  United States.  https://doi.org/10.1103/PhysRevX.5.011041

Copy to clipboard


                    Troparevsky, M. Claudia, Morris, James R., Kent, Paul R. C., Lupini, Andrew R., and Stocks, G. Malcolm. Tue .  
"Criteria for Predicting the Formation of Single-Phase High-Entropy Alloys".  United States.  https://doi.org/10.1103/PhysRevX.5.011041.

Copy to clipboard


                    
@article{osti_1180279,

  title        = {Criteria for Predicting the Formation of Single-Phase High-Entropy Alloys},

  author       = {Troparevsky, M. Claudia and Morris, James R. and Kent, Paul R. C. and Lupini, Andrew R. and Stocks, G. Malcolm},

  abstractNote = {High entropy alloys constitute a new class of materials whose very existence poses fundamental questions. Originally thought to be stabilized by the large entropy of mixing, these alloys have attracted attention due to their potential applications, yet no model capable of robustly predicting which combinations of elements will form a single-phase currently exists. Here we propose a model that, through the use of high-throughput computation of the enthalpies of formation of binary compounds, is able to confirm all known high-entropy alloys while rejecting similar alloys that are known to form multiple phases. Despite the increasing entropy, our model predicts that the number of potential single-phase multicomponent alloys decreases with an increasing number of components: out of more than two million possible 7-component alloys considered, fewer than twenty single-phase alloys are likely.},

  doi          = {10.1103/PhysRevX.5.011041},

  journal      = {Physical Review. X},

  number       = 1,

  volume       = 5,

  place        = {United States},

  year         = {Tue Mar 31 00:00:00 EDT 2015},

  month        = {Tue Mar 31 00:00:00 EDT 2015}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Publisher's Version of Record
https://doi.org/10.1103/PhysRevX.5.011041

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 319 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Microstructure and Mechanical Properties of New AlCo _x CrFeMo _0.5 Ni High-Entropy Alloys
journal, February 2010

Hsu, Chin-You; Wang, Woei-Ren; Tang, Wei-Yeh
Advanced Engineering Materials, Vol. 12, Issue 1-2
DOI: 10.1002/adem.200900171

Investigation of phases in Al23Co15Cr23Cu8Fe15Ni16 and Al8Co17Cr17Cu8Fe17Ni33 high entropy alloys and comparison with equilibrium phases predicted by Thermo-Calc
journal, March 2013

Manzoni, A.; Daoud, H.; Mondal, S.
Journal of Alloys and Compounds, Vol. 552
DOI: 10.1016/j.jallcom.2012.11.074

Gradient-corrected density functionals: Full-potential calculations for iron
journal, May 1991

Singh, D. J.; Pickett, W. E.; Krakauer, H.
Physical Review B, Vol. 43, Issue 14
DOI: 10.1103/PhysRevB.43.11628

Ordered Structures in Rhenium Binary Alloys from First-Principles Calculations
journal, January 2011

Levy, Ohad; Jahnátek, Michal; Chepulskii, Roman V.
Journal of the American Chemical Society, Vol. 133, Issue 1
DOI: 10.1021/ja1091672

Solid Solution or Intermetallics in a High-Entropy Alloy
journal, August 2009

Wang, Yan Ping; Li, Bang Sheng; Fu, Heng Zhi
Advanced Engineering Materials, Vol. 11, Issue 8
DOI: 10.1002/adem.200900057

Electronic and thermodynamic criteria for the occurrence of high entropy alloys in metallic systems
journal, August 2014

Poletti, M. G.; Battezzati, L.
Acta Materialia, Vol. 75
DOI: 10.1016/j.actamat.2014.04.033

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

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

The microstructure and phase equilibrium of new high performance high-entropy alloys
journal, August 2009

Hsieh, Ker-Chang; Yu, Cheng-Fu; Hsieh, Wen-Tai
Journal of Alloys and Compounds, Vol. 483, Issue 1-2
DOI: 10.1016/j.jallcom.2008.08.118

More than entropy in high-entropy alloys: Forming solid solutions or amorphous phase
journal, October 2013

Guo, Sheng; Hu, Qiang; Ng, Chun
Intermetallics, Vol. 41
DOI: 10.1016/j.intermet.2013.05.002

Synthesis and Characterization of High-Entropy Alloy FeCoNiCuCr by Laser Cladding
journal, January 2011

Ye, Xiaoyang; Ma, Mingxing; Liu, Wenjin
Advances in Materials Science and Engineering, Vol. 2011
DOI: 10.1155/2011/485942

Materials resource center: Consultants directory
journal, August 2004

Markel, Kelly
JOM, Vol. 56, Issue 8, p. 70-70
DOI: 10.1007/s11837-004-0187-2

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

Formation condition of solid solution type high-entropy alloy
journal, April 2013

Ren, Ming-xing; Li, Bang-sheng; Fu, Heng-zhi
Transactions of Nonferrous Metals Society of China, Vol. 23, Issue 4
DOI: 10.1016/S1003-6326(13)62557-1

First-principles pseudopotential calculations of magnetic iron
journal, April 1992

Zhu, Jing; Wang, X. W.; Louie, Steven G.
Physical Review B, Vol. 45, Issue 16
DOI: 10.1103/PhysRevB.45.8887

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

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

Adhesive wear behavior of AlxCoCrCuFeNi high-entropy alloys as a function of aluminum content
journal, September 2006

Wu, Jien-Min; Lin, Su-Jien; Yeh, Jien-Wei
Wear, Vol. 261, Issue 5-6
DOI: 10.1016/j.wear.2005.12.008

Theory of Magnetic and Structural Ordering in Iron
journal, April 1985

Wang, C. S.; Klein, B. M.; Krakauer, H.
Physical Review Letters, Vol. 54, Issue 16
DOI: 10.1103/PhysRevLett.54.1852

Phase stability in high entropy alloys: Formation of solid-solution phase or amorphous phase
journal, December 2011

Guo, Sheng; Liu, C. T.
Progress in Natural Science: Materials International, Vol. 21, Issue 6
DOI: 10.1016/S1002-0071(12)60080-X

The high-throughput highway to computational materials design
journal, February 2013

Curtarolo, Stefano; Hart, Gus L. W.; Nardelli, Marco Buongiorno
Nature Materials, Vol. 12, Issue 3
DOI: 10.1038/nmat3568

AFLOW: An automatic framework for high-throughput materials discovery
journal, June 2012

Curtarolo, Stefano; Setyawan, Wahyu; Hart, Gus L. W.
Computational Materials Science, Vol. 58
DOI: 10.1016/j.commatsci.2012.02.005

High-entropy Alloys with High Saturation Magnetization, Electrical Resistivity and Malleability
journal, March 2013

Zhang, Yong; Zuo, TingTing; Cheng, YongQiang
Scientific Reports, Vol. 3, Issue 1
DOI: 10.1038/srep01455

Phase separation in equiatomic AlCoCrFeNi high-entropy alloy
journal, September 2013

Manzoni, A.; Daoud, H.; Völkl, R.
Ultramicroscopy, Vol. 132
DOI: 10.1016/j.ultramic.2012.12.015

Effects of annealing treatment on phase composition and microstructure of CoCrFeNiTiAlx high-entropy alloys
journal, March 2012

Zhang, Kuibao; Fu, Zhengyi
Intermetallics, Vol. 22
DOI: 10.1016/j.intermet.2011.10.010

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

Ab initio study of ground-state properties of the Laves phase compounds ${TiCr}_{2}, {ZrCr}_{2}$ , and ${HfCr}_{2}$
journal, May 2005

Chen, Xing-Qiu; Wolf, W.; Podloucky, R.
Physical Review B, Vol. 71, Issue 17
DOI: 10.1103/PhysRevB.71.174101

Predicting Crystal Structures with Data Mining of Quantum Calculations
journal, September 2003

Curtarolo, Stefano; Morgan, Dane; Persson, Kristin
Physical Review Letters, Vol. 91, Issue 13
DOI: 10.1103/PhysRevLett.91.135503

Exploration and Development of High Entropy Alloys for Structural Applications
journal, January 2014

Miracle, Daniel; Miller, Jonathan; Senkov, Oleg
Entropy, Vol. 16, Issue 1
DOI: 10.3390/e16010494

Magnetic and vibrational properties of high-entropy alloys
journal, April 2011

Lucas, M. S.; Mauger, L.; Muñoz, J. A.
Journal of Applied Physics, Vol. 109, Issue 7
DOI: 10.1063/1.3538936

Thermal Stability and Performance of NbSiTaTiZr High-Entropy Alloy Barrier for Copper Metallization
journal, January 2011

Tsai, Ming-Hung; Wang, Chun-Wen; Tsai, Che-Wei
Journal of The Electrochemical Society, Vol. 158, Issue 11
DOI: 10.1149/2.056111jes

Microstructure and electrochemical properties of high entropy alloys—a comparison with type-304 stainless steel
journal, September 2005

Chen, Y. Y.; Duval, T.; Hung, U. D.
Corrosion Science, Vol. 47, Issue 9
DOI: 10.1016/j.corsci.2004.11.008

Fatigue behavior of Al0.5CoCrCuFeNi high entropy alloys
journal, September 2012

Hemphill, M. A.; Yuan, T.; Wang, G. Y.
Acta Materialia, Vol. 60, Issue 16
DOI: 10.1016/j.actamat.2012.06.046

Effect of valence electron concentration on stability of fcc or bcc phase in high entropy alloys
journal, May 2011

Guo, Sheng; Ng, Chun; Lu, Jian
Journal of Applied Physics, Vol. 109, Issue 10
DOI: 10.1063/1.3587228

A fracture-resistant high-entropy alloy for cryogenic applications
journal, September 2014

Gludovatz, B.; Hohenwarter, A.; Catoor, D.
Science, Vol. 345, Issue 6201
DOI: 10.1126/science.1254581

Phase formation in mechanically alloyed AlxCoCrCuFeNi (x = 0.45, 1, 2.5, 5 mol) high entropy alloys
journal, January 2013

Sriharitha, R.; Murty, B. S.; Kottada, Ravi S.
Intermetallics, Vol. 32
DOI: 10.1016/j.intermet.2012.08.015

Reply to the paper: “When is a compound energy not a compound energy? A critique of the 2-sublattice order/disorder model”
journal, December 1997

Ansara, Ibrahim; Dupin, Nathalie; Sundman, Bo
Calphad, Vol. 21, Issue 4
DOI: 10.1016/S0364-5916(98)00010-8

Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys
journal, April 2013

Otto, F.; Yang, Y.; Bei, H.
Acta Materialia, Vol. 61, Issue 7
DOI: 10.1016/j.actamat.2013.01.042

Similar Records in DOE PAGES and OSTI.GOV collections:

Beyond Atomic Sizes and Hume-Rothery Rules: Understanding and Predicting High-Entropy Alloys

Journal Article Troparevsky, M. Claudia ; Morris, James R. ; Daene, Markus ; ... - JOM. Journal of the Minerals, Metals & Materials Society

High-entropy alloys constitute a new class of materials that provide an excellent combination of strength, ductility, thermal stability, and oxidation resistance. Although they have attracted extensive attention due to their potential applications, little is known about why these compounds are stable or how to predict which combination of elements will form a single phase. Here, we present a review of the latest research done on these alloys focusing on the theoretical models devised during the last decade. We discuss semiempirical methods based on the Hume-Rothery rules and stability criteria based on enthalpies of mixing and size mismatch. To provide insightsmore »« less
Cited by 88
https://doi.org/10.1007/s11837-015-1594-2

Full Text Available
High-Throughput Combinatorial Development of High-Entropy Alloys For Light-Weight Structural Applications

Technical Report Van Duren, Jeroen K ; Koch, Carl ; Luo, Alan ; ...

The primary limitation of today’s lightweight structural alloys is that specific yield strengths (SYS) higher than 200MPa x cc/g (typical value for titanium alloys) are extremely difficult to achieve. This holds true especially at a cost lower than 5dollars/kg (typical value for magnesium alloys). Recently, high-entropy alloys (HEA) have shown promising SYS, yet the large composition space of HEA makes screening compositions complex and time-consuming. Over the course of this 2-year project we started from 150 billion compositions and reduced the number of potential low-density (<5g/cc), low-cost (<5dollars/kg) high-entropy alloy (LDHEA) candidates that are single-phase, disordered, solid-solution (SPSS) to amore »« less
https://doi.org/10.2172/1413702

Full Text Available
Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys

Journal Article Otto, Frederik ; Yang, Ying ; Bei, Hongbin ; ... - Acta Materialia

High configurational entropies have been hypothesized to stabilize solid solutions in equiatomic, multi-element alloys which have attracted much attention recently as high-entropy alloys with potentially interesting properties. To evaluate the usefulness of configurational entropy as a predictor of single-phase (solid solution) stability, we prepared five new equiatomic, quinary alloys by replacing individual elements one at a time in a CoCrFeMnNi alloy that was previously shown to be single-phase [1]. An implicit assumption here is that, if any one element is replaced by another, while keeping the total number of elements constant, the configurational entropy of the alloy is unchanged; therefore,more »« less
https://doi.org/10.1016/j.actamat.2013.01.042
Predicting the Phase Stability of Multicomponent High-Entropy Compounds

Journal Article Pitike, Krishna Chaitanya ; KC, Santosh ; Eisenbach, Markus ; ... - Chemistry of Materials

A generic method to estimate the relative feasibility of formation of high-entropy compounds in a single phase, directly from first principles, is developed. As a first step, the relative formation abilities of 56 multicomponent, AO, oxides were evaluated. These were constructed from five cation combinations chosen from A = {Ca, Co, Cu, Fe, Mg, Mn, Ni, Zn}. Candidates for multicomponent oxides are predicted from descriptors related to the enthalpy and configurational entropy obtained from the mixing enthalpies of two-component oxides. The utility of this approach is evaluated by comparing the predicted combinations with the experimentally realized entropy-stabilized oxide, (MgCoCuNiZn)O. Inmore »« less
https://doi.org/10.1021/acs.chemmater.0c02702

Full Text Available
Mixed Enthalpy–Entropy Descriptor for the Rational Design of Synthesizable High-Entropy Materials Over Vast Chemical Spaces

Journal Article Dey, Dibyendu ; Liang, Liangbo ; Yu, Liping - Journal of the American Chemical Society

The practically unlimited high-dimensional composition space of high-entropy materials (HEMs) has emerged as an exciting platform for functional material design and discovery. However, the identification of stable and synthesizable HEMs and robust design rules remains a daunting challenge. Here, we propose a mixed enthalpy–entropy descriptor (MEED) that enables highly efficient, robust, high-throughput prediction of synthesizable HEMs across vast chemical spaces from first-principles. The MEED is based on two parameters: the relative formation enthalpy with respect to the most stable competing compound and the spread of the point-defect formation energy spectrum. The former measures the relative synthesizability of an HEM tomore »« less
https://doi.org/10.1021/jacs.4c00209

Similar Records

Title: Criteria for Predicting the Formation of Single-Phase High-Entropy Alloys

Abstract

Citation Formats

Microstructure and Mechanical Properties of New AlCo x CrFeMo 0.5 Ni High-Entropy Alloys journal, February 2010

Investigation of phases in Al23Co15Cr23Cu8Fe15Ni16 and Al8Co17Cr17Cu8Fe17Ni33 high entropy alloys and comparison with equilibrium phases predicted by Thermo-Calc journal, March 2013

Gradient-corrected density functionals: Full-potential calculations for iron journal, May 1991

Ordered Structures in Rhenium Binary Alloys from First-Principles Calculations journal, January 2011

Solid Solution or Intermetallics in a High-Entropy Alloy journal, August 2009

Electronic and thermodynamic criteria for the occurrence of high entropy alloys in metallic systems journal, August 2014

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

Microstructural development in equiatomic multicomponent alloys journal, July 2004

The microstructure and phase equilibrium of new high performance high-entropy alloys journal, August 2009

More than entropy in high-entropy alloys: Forming solid solutions or amorphous phase journal, October 2013

Synthesis and Characterization of High-Entropy Alloy FeCoNiCuCr by Laser Cladding journal, January 2011

Materials resource center: Consultants directory journal, August 2004

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

Formation condition of solid solution type high-entropy alloy journal, April 2013

First-principles pseudopotential calculations of magnetic iron journal, April 1992

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

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

Adhesive wear behavior of AlxCoCrCuFeNi high-entropy alloys as a function of aluminum content journal, September 2006

Theory of Magnetic and Structural Ordering in Iron journal, April 1985

Phase stability in high entropy alloys: Formation of solid-solution phase or amorphous phase journal, December 2011

The high-throughput highway to computational materials design journal, February 2013

AFLOW: An automatic framework for high-throughput materials discovery journal, June 2012

High-entropy Alloys with High Saturation Magnetization, Electrical Resistivity and Malleability journal, March 2013

Phase separation in equiatomic AlCoCrFeNi high-entropy alloy journal, September 2013

Effects of annealing treatment on phase composition and microstructure of CoCrFeNiTiAlx high-entropy alloys journal, March 2012

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

Ab initio study of ground-state properties of the Laves phase compounds TiCr 2 , ZrCr 2 , and HfCr 2 journal, May 2005

Predicting Crystal Structures with Data Mining of Quantum Calculations journal, September 2003

Exploration and Development of High Entropy Alloys for Structural Applications journal, January 2014

Magnetic and vibrational properties of high-entropy alloys journal, April 2011

Thermal Stability and Performance of NbSiTaTiZr High-Entropy Alloy Barrier for Copper Metallization journal, January 2011

Microstructure and electrochemical properties of high entropy alloys—a comparison with type-304 stainless steel journal, September 2005

Fatigue behavior of Al0.5CoCrCuFeNi high entropy alloys journal, September 2012

Effect of valence electron concentration on stability of fcc or bcc phase in high entropy alloys journal, May 2011

A fracture-resistant high-entropy alloy for cryogenic applications journal, September 2014

Phase formation in mechanically alloyed AlxCoCrCuFeNi (x = 0.45, 1, 2.5, 5 mol) high entropy alloys journal, January 2013

Reply to the paper: “When is a compound energy not a compound energy? A critique of the 2-sublattice order/disorder model” journal, December 1997

Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys journal, April 2013

Microstructure and Mechanical Properties of New AlCo _x CrFeMo _0.5 Ni High-Entropy Alloys
journal, February 2010

Investigation of phases in Al23Co15Cr23Cu8Fe15Ni16 and Al8Co17Cr17Cu8Fe17Ni33 high entropy alloys and comparison with equilibrium phases predicted by Thermo-Calc
journal, March 2013

Gradient-corrected density functionals: Full-potential calculations for iron
journal, May 1991

Ordered Structures in Rhenium Binary Alloys from First-Principles Calculations
journal, January 2011

Solid Solution or Intermetallics in a High-Entropy Alloy
journal, August 2009

Electronic and thermodynamic criteria for the occurrence of high entropy alloys in metallic systems
journal, August 2014

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

Microstructural development in equiatomic multicomponent alloys
journal, July 2004

The microstructure and phase equilibrium of new high performance high-entropy alloys
journal, August 2009

More than entropy in high-entropy alloys: Forming solid solutions or amorphous phase
journal, October 2013

Synthesis and Characterization of High-Entropy Alloy FeCoNiCuCr by Laser Cladding
journal, January 2011

Materials resource center: Consultants directory
journal, August 2004

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

Formation condition of solid solution type high-entropy alloy
journal, April 2013

First-principles pseudopotential calculations of magnetic iron
journal, April 1992

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

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

Adhesive wear behavior of AlxCoCrCuFeNi high-entropy alloys as a function of aluminum content
journal, September 2006

Theory of Magnetic and Structural Ordering in Iron
journal, April 1985

Phase stability in high entropy alloys: Formation of solid-solution phase or amorphous phase
journal, December 2011

The high-throughput highway to computational materials design
journal, February 2013

AFLOW: An automatic framework for high-throughput materials discovery
journal, June 2012

High-entropy Alloys with High Saturation Magnetization, Electrical Resistivity and Malleability
journal, March 2013

Phase separation in equiatomic AlCoCrFeNi high-entropy alloy
journal, September 2013

Effects of annealing treatment on phase composition and microstructure of CoCrFeNiTiAlx high-entropy alloys
journal, March 2012

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

Ab initio study of ground-state properties of the Laves phase compounds ${TiCr}_{2}, {ZrCr}_{2}$ , and ${HfCr}_{2}$
journal, May 2005

Predicting Crystal Structures with Data Mining of Quantum Calculations
journal, September 2003

Exploration and Development of High Entropy Alloys for Structural Applications
journal, January 2014

Magnetic and vibrational properties of high-entropy alloys
journal, April 2011

Thermal Stability and Performance of NbSiTaTiZr High-Entropy Alloy Barrier for Copper Metallization
journal, January 2011

Microstructure and electrochemical properties of high entropy alloys—a comparison with type-304 stainless steel
journal, September 2005

Fatigue behavior of Al0.5CoCrCuFeNi high entropy alloys
journal, September 2012

Effect of valence electron concentration on stability of fcc or bcc phase in high entropy alloys
journal, May 2011

A fracture-resistant high-entropy alloy for cryogenic applications
journal, September 2014

Phase formation in mechanically alloyed AlxCoCrCuFeNi (x = 0.45, 1, 2.5, 5 mol) high entropy alloys
journal, January 2013

Reply to the paper: “When is a compound energy not a compound energy? A critique of the 2-sublattice order/disorder model”
journal, December 1997

Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys
journal, April 2013