N-body interatomic potential for molecular dynamics simulations of V-Cr-Nb-Mo-Ta-W system

N-body interatomic potential for molecular dynamics simulations of V-Cr-Nb-Mo-Ta-W system

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Published in:Computational materials science Vol. 247; p. 113533
Main Authors: Maksimenko, V.N., Lipnitskii, A.G., Saveliev, V.N., Kartamyshev, A.I., Vyazmin, A.V., Poletaev, D.O.
Format: Journal Article
Language:English
Published: 01-01-2025
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ArticleNumber 113533
Author Maksimenko, V.N.
Lipnitskii, A.G.
Saveliev, V.N.
Vyazmin, A.V.
Poletaev, D.O.
Kartamyshev, A.I.
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Cites_doi 10.1088/1361-651X/ad2d68
10.1016/j.jallcom.2016.07.239
10.1103/PhysRevB.50.17953
10.1016/j.actamat.2013.04.058
10.1063/1.351203
10.1126/science.220.4598.671
10.1016/j.jallcom.2015.11.085
10.1006/jcph.1995.1039
10.1103/PhysRev.171.727
10.4028/www.scientific.net/DF.17.69
10.1016/0022-5088(59)90015-3
10.1063/1.1660727
10.1007/BF03397314
10.1007/BF01189609
10.1007/BF02645616
10.1016/0036-9748(70)90195-X
10.1016/j.jallcom.2016.03.046
10.1088/1757-899X/1014/1/012022
10.1016/j.commatsci.2016.04.008
10.1007/BF02867811
10.1016/j.matlet.2015.09.028
10.1063/1.4931806
10.1103/PhysRevMaterials.8.043603
10.1016/j.calphad.2015.09.007
10.1016/0364-5916(91)90030-N
10.1007/s11669-017-0579-y
10.1016/j.tsf.2007.07.109
10.1103/PhysRevB.40.3616
10.1016/j.commatsci.2022.111841
10.1016/j.commatsci.2018.12.044
10.1016/j.cpc.2015.07.012
10.1016/0022-5088(65)90096-2
10.1007/BF02868668
10.1103/PhysRevB.54.11169
10.1080/21663831.2022.2064728
10.1021/ac60002a006
10.20310/1810-0198-2017-22-1-45-55
10.1149/2.056111jes
10.1103/PhysRevB.64.184102
10.1016/j.calphad.2013.10.006
10.1016/0022-5088(75)90193-9
10.1515/ijmr-1959-500105
10.1016/j.msea.2011.01.072
10.1524/zkri.1928.67.1.235
10.1103/PhysRevLett.77.3865
10.1016/j.intermet.2011.01.004
10.1143/JJAP.21.1569
10.1515/ijmr-1946-371-211
10.1088/0965-0393/ab8863
10.1080/14786436308214459
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References Maksimenko (10.1016/j.commatsci.2024.113533_b24) 2021; 1014
Divinski (10.1016/j.commatsci.2024.113533_b13) 2018; 17
Tsai (10.1016/j.commatsci.2024.113533_b7) 2013; 61
Senkov (10.1016/j.commatsci.2024.113533_b2) 2011; 19
Saveliev (10.1016/j.commatsci.2024.113533_b21) 2017; 22
Rudy (10.1016/j.commatsci.2024.113533_b64) 1969
10.1016/j.commatsci.2024.113533_b76
Kieffer (10.1016/j.commatsci.2024.113533_b65) 1959; 1
Zajusz (10.1016/j.commatsci.2024.113533_b14) 2022; 10
Kresse (10.1016/j.commatsci.2024.113533_b29) 1996; 54
Kartamyshev (10.1016/j.commatsci.2024.113533_b26) 2019; 160
(10.1016/j.commatsci.2024.113533_b48) 2012
Perdew (10.1016/j.commatsci.2024.113533_b30) 1996; 77
Predel (10.1016/j.commatsci.2024.113533_b51) 1997
Singhal (10.1016/j.commatsci.2024.113533_b50) 1973; 4
Rudy (10.1016/j.commatsci.2024.113533_b63) 1962; 93
Franke (10.1016/j.commatsci.2024.113533_b46) 2007
Trzebiatowski (10.1016/j.commatsci.2024.113533_b70) 1947; 19
Predel (10.1016/j.commatsci.2024.113533_b53) 1997
Predmore (10.1016/j.commatsci.2024.113533_b74) 1970; 4
Hirel (10.1016/j.commatsci.2024.113533_b85) 2015; 197
Starikov (10.1016/j.commatsci.2024.113533_b15) 2024; 8
Baen (10.1016/j.commatsci.2024.113533_b68) 1951; 3
Lipnitskii (10.1016/j.commatsci.2024.113533_b16) 2016; 121
Plimpton (10.1016/j.commatsci.2024.113533_b33) 1995; 117
Zhang (10.1016/j.commatsci.2024.113533_b10) 2014; 45
Deng (10.1016/j.commatsci.2024.113533_b77) 2016; 660
Roberge (10.1016/j.commatsci.2024.113533_b79) 1975; 40
Lipnitskii (10.1016/j.commatsci.2024.113533_b17) 2019
Semchyshen (10.1016/j.commatsci.2024.113533_b59) 1961
Taylor (10.1016/j.commatsci.2024.113533_b58) 1965; 9
Maksimenko (10.1016/j.commatsci.2024.113533_b20) 2022; 202
Schultz (10.1016/j.commatsci.2024.113533_b39) 1991
Zotov (10.1016/j.commatsci.2024.113533_b83) 2024; 32
Baskes (10.1016/j.commatsci.2024.113533_b82) 2001; 64
Venkatraman (10.1016/j.commatsci.2024.113533_b44) 1986; 7
Semchyshen (10.1016/j.commatsci.2024.113533_b67) 1961
Mezey (10.1016/j.commatsci.2024.113533_b81) 1982; 21
Kartamyshev (10.1016/j.commatsci.2024.113533_b22) 2020; 28
Kulkarni (10.1016/j.commatsci.2024.113533_b9) 2015; 5
Shah (10.1016/j.commatsci.2024.113533_b80) 1971; 42
Askill (10.1016/j.commatsci.2024.113533_b40) 1963; 8
Smith (10.1016/j.commatsci.2024.113533_b43) 1983; 4
Hixson (10.1016/j.commatsci.2024.113533_b37) 1992; 71
Kubaschewski (10.1016/j.commatsci.2024.113533_b69) 1942; 48
Predel (10.1016/j.commatsci.2024.113533_b49) 1994
Verma (10.1016/j.commatsci.2024.113533_b12) 2017; 38
Zeigler (10.1016/j.commatsci.2024.113533_b27) 1985
Tsai (10.1016/j.commatsci.2024.113533_b6) 2008; 516
Maksimenko (10.1016/j.commatsci.2024.113533_b18) 2019
Maksimenko (10.1016/j.commatsci.2024.113533_b19) 2021; 198
Greenaway (10.1016/j.commatsci.2024.113533_b71) 1952; 80
Kirkpatrick (10.1016/j.commatsci.2024.113533_b28) 1983; 220
Krishnan (10.1016/j.commatsci.2024.113533_b75) 1987; 3
Pipitz (10.1016/j.commatsci.2024.113533_b60) 1955; 46
Bückle (10.1016/j.commatsci.2024.113533_b57) 1946; 37
Rudy (10.1016/j.commatsci.2024.113533_b62) 1969
Simmons (10.1016/j.commatsci.2024.113533_b36) 1965; 34
Pearson (10.1016/j.commatsci.2024.113533_b35) 2013; vol. 4
Clouet (10.1016/j.commatsci.2024.113533_b84) 2020
Predel (10.1016/j.commatsci.2024.113533_b55) 1998
Kittel (10.1016/j.commatsci.2024.113533_b78) 1986
Myers (10.1016/j.commatsci.2024.113533_b72) 1950; 42
Vaidya (10.1016/j.commatsci.2024.113533_b11) 2016; 688
Franke (10.1016/j.commatsci.2024.113533_b54) 2006
van Arkel (10.1016/j.commatsci.2024.113533_b56) 1928; 67
Zhang (10.1016/j.commatsci.2024.113533_b1) 2015; 51
Predel (10.1016/j.commatsci.2024.113533_b47) 1998
Beke (10.1016/j.commatsci.2024.113533_b4) 2016; 164
Kartamyshev (10.1016/j.commatsci.2024.113533_b25) 2023; 228
Geach (10.1016/j.commatsci.2024.113533_b73) 1951; 80
Rudy (10.1016/j.commatsci.2024.113533_b61) 1962; 10
Da̧browa (10.1016/j.commatsci.2024.113533_b8) 2016; 674
Touloukian (10.1016/j.commatsci.2024.113533_b38) 1975
Tsai (10.1016/j.commatsci.2024.113533_b5) 2011; 158
Blöchl (10.1016/j.commatsci.2024.113533_b31) 1994; 50
Methfessel (10.1016/j.commatsci.2024.113533_b32) 1989; 40
Predel (10.1016/j.commatsci.2024.113533_b52) 1997
Kittel (10.1016/j.commatsci.2024.113533_b34) 1996
Kieffer (10.1016/j.commatsci.2024.113533_b66) 1959; 50
Poletaev (10.1016/j.commatsci.2024.113533_b23) 2023; 216
Dinsdale (10.1016/j.commatsci.2024.113533_b42) 1991; 15
Powell (10.1016/j.commatsci.2024.113533_b41) 1968; 171
Hsu (10.1016/j.commatsci.2024.113533_b3) 2011; 528
Franke (10.1016/j.commatsci.2024.113533_b45) 2006
References_xml – volume: 32
  start-page: 035032
  issue: 3
  year: 2024
  ident: 10.1016/j.commatsci.2024.113533_b83
  article-title: Moment tensor potential for static and dynamic investigations of screw dislocations in bcc nb
  publication-title: Modelling Simul. Mater. Sci. Eng.
  doi: 10.1088/1361-651X/ad2d68
  contributor:
    fullname: Zotov
– volume: 688
  start-page: 994
  year: 2016
  ident: 10.1016/j.commatsci.2024.113533_b11
  article-title: Ni tracer diffusion in CoCrFeNi and CoCrFeMnNi high entropy alloys
  publication-title: J. Alloys Compd.
  doi: 10.1016/j.jallcom.2016.07.239
  contributor:
    fullname: Vaidya
– volume: 50
  start-page: 17953
  issue: 24
  year: 1994
  ident: 10.1016/j.commatsci.2024.113533_b31
  article-title: Projector augmented-wave method
  publication-title: Phys. Rev. B
  doi: 10.1103/PhysRevB.50.17953
  contributor:
    fullname: Blöchl
– start-page: 1
  year: 1997
  ident: 10.1016/j.commatsci.2024.113533_b53
  article-title: Mo-Ta (Molybdenum-Tantalum)
  contributor:
    fullname: Predel
– volume: 61
  start-page: 4887
  issue: 13
  year: 2013
  ident: 10.1016/j.commatsci.2024.113533_b7
  article-title: Sluggish diffusion in Co–Cr–Fe–Mn–Ni high-entropy alloys
  publication-title: Acta Mater.
  doi: 10.1016/j.actamat.2013.04.058
  contributor:
    fullname: Tsai
– volume: 71
  start-page: 1721
  issue: 4
  year: 1992
  ident: 10.1016/j.commatsci.2024.113533_b37
  article-title: Shock compression of tungsten and molybdenum
  publication-title: J. Appl. Phys.
  doi: 10.1063/1.351203
  contributor:
    fullname: Hixson
– volume: 198
  issue: May
  year: 2021
  ident: 10.1016/j.commatsci.2024.113533_b19
  article-title: Prediction of the diffusion characteristics of the V-Cr system by molecular dynamics based on N-body interatomic potentials
  publication-title: Comput. Mater. Sci.
  contributor:
    fullname: Maksimenko
– volume: 220
  start-page: 671
  issue: 4598
  year: 1983
  ident: 10.1016/j.commatsci.2024.113533_b28
  article-title: Optimization by simulated annealing
  publication-title: Science
  doi: 10.1126/science.220.4598.671
  contributor:
    fullname: Kirkpatrick
– volume: 660
  start-page: 55
  year: 2016
  ident: 10.1016/j.commatsci.2024.113533_b77
  article-title: First-principles study of the binding preferences and diffusion behaviors of solutes in vanadium alloys
  publication-title: J. Alloys Compd.
  doi: 10.1016/j.jallcom.2015.11.085
  contributor:
    fullname: Deng
– volume: 117
  start-page: 1
  issue: 1
  year: 1995
  ident: 10.1016/j.commatsci.2024.113533_b33
  article-title: Fast parallel algorithms for short-range molecular dynamics
  publication-title: J. Comput. Phys.
  doi: 10.1006/jcph.1995.1039
  contributor:
    fullname: Plimpton
– volume: 171
  start-page: 727
  issue: 3
  year: 1968
  ident: 10.1016/j.commatsci.2024.113533_b41
  article-title: Lattice dynamics of niobium-molybdenum alloys
  publication-title: Phys. Rev.
  doi: 10.1103/PhysRev.171.727
  contributor:
    fullname: Powell
– start-page: 1
  year: 1994
  ident: 10.1016/j.commatsci.2024.113533_b49
  article-title: Cr-W (Chromium-Tungsten)
  contributor:
    fullname: Predel
– volume: 17
  start-page: 69
  year: 2018
  ident: 10.1016/j.commatsci.2024.113533_b13
  article-title: A mystery of ”sluggish diffusion” in high-entropy alloys: The truth or a myth?
  publication-title: Diffusion Found.
  doi: 10.4028/www.scientific.net/DF.17.69
  contributor:
    fullname: Divinski
– year: 1969
  ident: 10.1016/j.commatsci.2024.113533_b62
  contributor:
    fullname: Rudy
– volume: 1
  start-page: 19
  issue: 1
  year: 1959
  ident: 10.1016/j.commatsci.2024.113533_b65
  article-title: Tungsten alloys of high melting point
  publication-title: J. Less Common Met.
  doi: 10.1016/0022-5088(59)90015-3
  contributor:
    fullname: Kieffer
– volume: 42
  start-page: 3288
  issue: 9
  year: 1971
  ident: 10.1016/j.commatsci.2024.113533_b80
  article-title: Thermal expansion of tungsten at low temperatures
  publication-title: J. Appl. Phys.
  doi: 10.1063/1.1660727
  contributor:
    fullname: Shah
– volume: 3
  start-page: 1
  issue: 1
  year: 1987
  ident: 10.1016/j.commatsci.2024.113533_b75
  article-title: The Tantalum-Tungsten system
  publication-title: J. Alloy Phase Diagr.
  contributor:
    fullname: Krishnan
– start-page: 673
  year: 1996
  ident: 10.1016/j.commatsci.2024.113533_b34
  contributor:
    fullname: Kittel
– start-page: 1442
  year: 1975
  ident: 10.1016/j.commatsci.2024.113533_b38
  contributor:
    fullname: Touloukian
– start-page: 1
  year: 1998
  ident: 10.1016/j.commatsci.2024.113533_b55
  article-title: Ta-W (Tantalum-Tungsten)
  contributor:
    fullname: Predel
– volume: 3
  start-page: 331
  issue: 4
  year: 1951
  ident: 10.1016/j.commatsci.2024.113533_b68
  article-title: Constitution of iron-chromium-molybdenum alloys at 1200°F
  publication-title: JOM
  doi: 10.1007/BF03397314
  contributor:
    fullname: Baen
– volume: 93
  start-page: 693
  issue: 3
  year: 1962
  ident: 10.1016/j.commatsci.2024.113533_b63
  article-title: Untersuchungen im system vanadin-wolfram-kohlenstoff
  publication-title: Monatshefte Chem. Verwandte Wiss.
  doi: 10.1007/BF01189609
  contributor:
    fullname: Rudy
– volume: 228
  issue: March
  year: 2023
  ident: 10.1016/j.commatsci.2024.113533_b25
  article-title: N-body potential for simulating lattice defects and diffusion in copper
  publication-title: Comput. Mater. Sci.
  contributor:
    fullname: Kartamyshev
– year: 1985
  ident: 10.1016/j.commatsci.2024.113533_b27
  contributor:
    fullname: Zeigler
– volume: 4
  start-page: 1125
  issue: 4
  year: 1973
  ident: 10.1016/j.commatsci.2024.113533_b50
  article-title: A high-temperature thermodynamic investigation of the nb-mo system
  publication-title: Metall. Trans.
  doi: 10.1007/BF02645616
  contributor:
    fullname: Singhal
– volume: 4
  start-page: 213
  issue: 3
  year: 1970
  ident: 10.1016/j.commatsci.2024.113533_b74
  article-title: Short range order of Ta-Mo B.C.C. alloys
  publication-title: Scr. Metall.
  doi: 10.1016/0036-9748(70)90195-X
  contributor:
    fullname: Predmore
– volume: 674
  start-page: 455
  year: 2016
  ident: 10.1016/j.commatsci.2024.113533_b8
  article-title: Interdiffusion in the FCC-structured Al-Co-Cr-Fe-Ni high entropy alloys: Experimental studies and numerical simulations
  publication-title: J. Alloys Compd.
  doi: 10.1016/j.jallcom.2016.03.046
  contributor:
    fullname: Da̧browa
– year: 2019
  ident: 10.1016/j.commatsci.2024.113533_b17
  article-title: Interatomic potential for the simulation of diffusion processes in tungsten
  contributor:
    fullname: Lipnitskii
– volume: 1014
  issue: 1
  year: 2021
  ident: 10.1016/j.commatsci.2024.113533_b24
  article-title: Development of n-body interatomic potentials for calculating the thermodynamic characteristics of V-Nb-Mo-W alloys
  publication-title: IOP Conf. Ser.: Mater. Sci. Eng.
  doi: 10.1088/1757-899X/1014/1/012022
  contributor:
    fullname: Maksimenko
– start-page: 1
  year: 1997
  ident: 10.1016/j.commatsci.2024.113533_b52
  article-title: Nb-W (Niobium-Tungsten)
  contributor:
    fullname: Predel
– volume: 46
  start-page: 187
  issue: 3
  year: 1955
  ident: 10.1016/j.commatsci.2024.113533_b60
  article-title: Einfluss von legierungszusatzen auf festigkeitseigenschaften und rekristallisation von vakuumgesintertem molybdan
  publication-title: Z. Met.
  contributor:
    fullname: Pipitz
– start-page: 22
  year: 2012
  ident: 10.1016/j.commatsci.2024.113533_b48
  article-title: Binary system Cr-Mo
– volume: 121
  start-page: 67
  year: 2016
  ident: 10.1016/j.commatsci.2024.113533_b16
  article-title: Development of n-body expansion interatomic potentials and its application for V
  publication-title: Comput. Mater. Sci.
  doi: 10.1016/j.commatsci.2016.04.008
  contributor:
    fullname: Lipnitskii
– volume: 7
  start-page: 462
  issue: 5
  year: 1986
  ident: 10.1016/j.commatsci.2024.113533_b44
  article-title: The Cr-Nb (Chromium-Niobium) system
  publication-title: Bull. Alloy Phase Diagr.
  doi: 10.1007/BF02867811
  contributor:
    fullname: Venkatraman
– volume: 164
  start-page: 111
  year: 2016
  ident: 10.1016/j.commatsci.2024.113533_b4
  article-title: On the diffusion in high-entropy alloys
  publication-title: Mater. Lett.
  doi: 10.1016/j.matlet.2015.09.028
  contributor:
    fullname: Beke
– volume: 5
  issue: 9
  year: 2015
  ident: 10.1016/j.commatsci.2024.113533_b9
  article-title: Investigations of quaternary interdiffusion in a constituent system of high entropy alloys
  publication-title: AIP Adv.
  doi: 10.1063/1.4931806
  contributor:
    fullname: Kulkarni
– volume: 8
  start-page: 043603
  issue: 4
  year: 2024
  ident: 10.1016/j.commatsci.2024.113533_b15
  article-title: Large-scale atomistic simulation of diffusion in refractory metals and alloys
  publication-title: Phys. Rev. Mater.
  doi: 10.1103/PhysRevMaterials.8.043603
  contributor:
    fullname: Starikov
– volume: 51
  start-page: 193
  year: 2015
  ident: 10.1016/j.commatsci.2024.113533_b1
  article-title: Senary refractory high-entropy alloy CrxMoNbTaVW
  publication-title: CALPHAD
  doi: 10.1016/j.calphad.2015.09.007
  contributor:
    fullname: Zhang
– year: 2019
  ident: 10.1016/j.commatsci.2024.113533_b18
  article-title: Construction of interatomic potentials of V-W on the basis of CALPHAD data on the formation enthalpy
  contributor:
    fullname: Maksimenko
– volume: 15
  start-page: 317
  issue: 4
  year: 1991
  ident: 10.1016/j.commatsci.2024.113533_b42
  article-title: SGTE data for pure elements
  publication-title: CALPHAD
  doi: 10.1016/0364-5916(91)90030-N
  contributor:
    fullname: Dinsdale
– volume: 38
  start-page: 445
  issue: 4
  year: 2017
  ident: 10.1016/j.commatsci.2024.113533_b12
  article-title: On interdiffusion in FeNiCoCrMn high entropy alloy
  publication-title: J. Phase Equilib. Diffusion
  doi: 10.1007/s11669-017-0579-y
  contributor:
    fullname: Verma
– volume: 516
  start-page: 5527
  issue: 16
  year: 2008
  ident: 10.1016/j.commatsci.2024.113533_b6
  article-title: Diffusion barrier properties of AlMoNbSiTaTiVZr high-entropy alloy layer between copper and silicon
  publication-title: Thin Solid Films
  doi: 10.1016/j.tsf.2007.07.109
  contributor:
    fullname: Tsai
– volume: 40
  start-page: 3616
  issue: 6
  year: 1989
  ident: 10.1016/j.commatsci.2024.113533_b32
  article-title: High-precision sampling for brillouin-zone integration in metals
  publication-title: Phys. Rev. B
  doi: 10.1103/PhysRevB.40.3616
  contributor:
    fullname: Methfessel
– volume: 216
  year: 2023
  ident: 10.1016/j.commatsci.2024.113533_b23
  article-title: The N-body interatomic potentials for molecular dynamics simulations of diffusion in C15 Cr2Ta Laves phase
  publication-title: Comput. Mater. Sci.
  doi: 10.1016/j.commatsci.2022.111841
  contributor:
    fullname: Poletaev
– start-page: 1
  year: 2006
  ident: 10.1016/j.commatsci.2024.113533_b54
  article-title: Mo-W
  contributor:
    fullname: Franke
– start-page: 140
  year: 1991
  ident: 10.1016/j.commatsci.2024.113533_b39
  article-title: Mo
  contributor:
    fullname: Schultz
– volume: 48
  start-page: 671
  year: 1942
  ident: 10.1016/j.commatsci.2024.113533_b69
  article-title: On the systems of chromium with tungsten and molybdenum
  publication-title: Z. Electrochem.
  contributor:
    fullname: Kubaschewski
– start-page: 1
  year: 1997
  ident: 10.1016/j.commatsci.2024.113533_b51
  article-title: Nb-Ta (Niobium-Tantalum)
  contributor:
    fullname: Predel
– volume: 160
  start-page: 30
  year: 2019
  ident: 10.1016/j.commatsci.2024.113533_b26
  article-title: Development of an interatomic potential for titanium with high predictive accuracy of thermal properties up to melting point
  publication-title: Comput. Mater. Sci.
  doi: 10.1016/j.commatsci.2018.12.044
  contributor:
    fullname: Kartamyshev
– volume: 197
  start-page: 212
  year: 2015
  ident: 10.1016/j.commatsci.2024.113533_b85
  article-title: Atomsk: A tool for manipulating and converting atomic data files
  publication-title: Comput. Phys. Comm.
  doi: 10.1016/j.cpc.2015.07.012
  contributor:
    fullname: Hirel
– start-page: 283
  year: 1961
  ident: 10.1016/j.commatsci.2024.113533_b59
  article-title: Molybdenum and molybdenum-containing refractory alloys
  contributor:
    fullname: Semchyshen
– volume: 9
  start-page: 190
  issue: 3
  year: 1965
  ident: 10.1016/j.commatsci.2024.113533_b58
  article-title: The constitution diagram of the tungsten-molybdenum-osmium system
  publication-title: J. Less Common Met.
  doi: 10.1016/0022-5088(65)90096-2
  contributor:
    fullname: Taylor
– volume: 4
  start-page: 284
  issue: 3
  year: 1983
  ident: 10.1016/j.commatsci.2024.113533_b43
  article-title: The Ta-V (Tantalum-Vanadium) system
  publication-title: Bull. Alloy Phase Diagr.
  doi: 10.1007/BF02868668
  contributor:
    fullname: Smith
– volume: 54
  start-page: 11169
  issue: 16
  year: 1996
  ident: 10.1016/j.commatsci.2024.113533_b29
  article-title: Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
  publication-title: Phys. Rev. B
  doi: 10.1103/PhysRevB.54.11169
  contributor:
    fullname: Kresse
– volume: 10
  start-page: 556
  issue: 8
  year: 2022
  ident: 10.1016/j.commatsci.2024.113533_b14
  article-title: Evaluation of phase stability and diffusion kinetics in novel BCC-structured high entropy alloys
  publication-title: Mater. Res. Lett.
  doi: 10.1080/21663831.2022.2064728
  contributor:
    fullname: Zajusz
– volume: 19
  start-page: 93
  issue: 2
  year: 1947
  ident: 10.1016/j.commatsci.2024.113533_b70
  article-title: X-Ray analysis of chromium-molybdenum and chromium-tungsten alloys
  publication-title: Anal. Chem.
  doi: 10.1021/ac60002a006
  contributor:
    fullname: Trzebiatowski
– volume: 22
  start-page: 45
  issue: 1
  year: 2017
  ident: 10.1016/j.commatsci.2024.113533_b21
  article-title: New interatomic potentials for simulation of refractory BCC metals: Nb, Mo, Ta and W
  publication-title: Tambov Univ. Rep. Ser.: Natl. Tech. Sci.
  doi: 10.20310/1810-0198-2017-22-1-45-55
  contributor:
    fullname: Saveliev
– volume: 80
  start-page: 589
  issue: 11
  year: 1952
  ident: 10.1016/j.commatsci.2024.113533_b71
  article-title: The constitutional diagram of the chromium tungsten system
  publication-title: J. Inst. Met.
  contributor:
    fullname: Greenaway
– start-page: 1503
  year: 2020
  ident: 10.1016/j.commatsci.2024.113533_b84
  article-title: Ab initio models of dislocations
  contributor:
    fullname: Clouet
– year: 1969
  ident: 10.1016/j.commatsci.2024.113533_b64
  contributor:
    fullname: Rudy
– volume: 10
  start-page: 42
  year: 1962
  ident: 10.1016/j.commatsci.2024.113533_b61
  article-title: Study of the system vanadium-molybdenum-carbon. Stabilization of cubic molybdenum carbides
  publication-title: Planseeber. Pulvermetall.
  contributor:
    fullname: Rudy
– volume: 158
  start-page: H1161
  issue: 11
  year: 2011
  ident: 10.1016/j.commatsci.2024.113533_b5
  article-title: Thermal stability and performance of NbSiTaTiZr high-entropy alloy barrier for copper metallization
  publication-title: J. Electrochem. Soc.
  doi: 10.1149/2.056111jes
  contributor:
    fullname: Tsai
– volume: 42
  start-page: 3
  issue: 6
  year: 1950
  ident: 10.1016/j.commatsci.2024.113533_b72
  article-title: Some properties of tantalum-rich alloys with wolfram and molybdenum
  publication-title: Metallurgia
  contributor:
    fullname: Myers
– volume: 64
  start-page: 184102
  issue: 18
  year: 2001
  ident: 10.1016/j.commatsci.2024.113533_b82
  article-title: Second nearest-neighbor modified embedded atom method potentials for bcc transition metals
  publication-title: Phys. Rev. B
  doi: 10.1103/PhysRevB.64.184102
  contributor:
    fullname: Baskes
– volume: vol. 4
  start-page: 1054
  year: 2013
  ident: 10.1016/j.commatsci.2024.113533_b35
  contributor:
    fullname: Pearson
– volume: 45
  start-page: 1
  year: 2014
  ident: 10.1016/j.commatsci.2024.113533_b10
  article-title: An understanding of high entropy alloys from phase diagram calculations
  publication-title: CALPHAD
  doi: 10.1016/j.calphad.2013.10.006
  contributor:
    fullname: Zhang
– volume: 40
  start-page: 161
  issue: 1
  year: 1975
  ident: 10.1016/j.commatsci.2024.113533_b79
  article-title: Lattice parameter of niobium between 4.2 and 300 K
  publication-title: J. Less Common Met.
  doi: 10.1016/0022-5088(75)90193-9
  contributor:
    fullname: Roberge
– start-page: 1
  year: 2006
  ident: 10.1016/j.commatsci.2024.113533_b45
  article-title: Nb-V
  contributor:
    fullname: Franke
– volume: 50
  start-page: 18
  issue: 1
  year: 1959
  ident: 10.1016/j.commatsci.2024.113533_b66
  article-title: Gesinterte hochschmelzende woliramlegierungen
  publication-title: Int. J. Mater. Res.
  doi: 10.1515/ijmr-1959-500105
  contributor:
    fullname: Kieffer
– volume: 528
  start-page: 3581
  issue: 10–11
  year: 2011
  ident: 10.1016/j.commatsci.2024.113533_b3
  article-title: On the superior hot hardness and softening resistance of AlCoCrxFeMo0.5Ni high-entropy alloys
  publication-title: Mater. Sci. Eng. A
  doi: 10.1016/j.msea.2011.01.072
  contributor:
    fullname: Hsu
– start-page: 1
  year: 2007
  ident: 10.1016/j.commatsci.2024.113533_b46
  article-title: Mo-V (Molybdenum - Vanadium)
  contributor:
    fullname: Franke
– start-page: 1
  year: 1998
  ident: 10.1016/j.commatsci.2024.113533_b47
  article-title: V-W (vanadium-tungsten)
  contributor:
    fullname: Predel
– year: 1961
  ident: 10.1016/j.commatsci.2024.113533_b67
  contributor:
    fullname: Semchyshen
– volume: 34
  start-page: 1
  issue: 1
  year: 1965
  ident: 10.1016/j.commatsci.2024.113533_b36
  article-title: Single crystal elastic constants and calculated aggregate properties
  publication-title: J. Grad. Res. Cent.
  contributor:
    fullname: Simmons
– volume: 67
  start-page: 235
  issue: 1–6
  year: 1928
  ident: 10.1016/j.commatsci.2024.113533_b56
  article-title: XIV. Eine einfache methode zur erhöhung der genauigkeit bei debye-scherrer-aufnahmen
  publication-title: Z. Kristallogr. - Cryst. Mater.
  doi: 10.1524/zkri.1928.67.1.235
  contributor:
    fullname: van Arkel
– volume: 202
  issue: June 2021
  year: 2022
  ident: 10.1016/j.commatsci.2024.113533_b20
  article-title: The N-body interatomic potential for molecular dynamics simulations of diffusion in tungsten
  publication-title: Comput. Mater. Sci.
  contributor:
    fullname: Maksimenko
– volume: 77
  start-page: 3865
  issue: 18
  year: 1996
  ident: 10.1016/j.commatsci.2024.113533_b30
  article-title: Generalized gradient approximation made simple
  publication-title: Phys. Rev. Lett.
  doi: 10.1103/PhysRevLett.77.3865
  contributor:
    fullname: Perdew
– start-page: 646
  year: 1986
  ident: 10.1016/j.commatsci.2024.113533_b78
  contributor:
    fullname: Kittel
– volume: 19
  start-page: 698
  issue: 5
  year: 2011
  ident: 10.1016/j.commatsci.2024.113533_b2
  article-title: Mechanical properties of Nb25Mo25Ta25W25 and V20Nb20Mo20Ta20W20 refractory high entropy alloys
  publication-title: Intermetallics
  doi: 10.1016/j.intermet.2011.01.004
  contributor:
    fullname: Senkov
– ident: 10.1016/j.commatsci.2024.113533_b76
– volume: 21
  start-page: 1569
  issue: 11R
  year: 1982
  ident: 10.1016/j.commatsci.2024.113533_b81
  article-title: The surface free energies of solid chemical elements: Calculation from internal free enthalpies of atomization
  publication-title: Japan. J. Appl. Phys.
  doi: 10.1143/JJAP.21.1569
  contributor:
    fullname: Mezey
– volume: 37
  start-page: 53
  issue: 1–2
  year: 1946
  ident: 10.1016/j.commatsci.2024.113533_b57
  article-title: Aufbau und mikrohärte der zwei- und dreistoffsysteme der metalle niob, tantal, molybdän und wolfram
  publication-title: Int. J. Mater. Res.
  doi: 10.1515/ijmr-1946-371-211
  contributor:
    fullname: Bückle
– volume: 28
  issue: 5
  year: 2020
  ident: 10.1016/j.commatsci.2024.113533_b22
  article-title: Angular dependent interatomic potential for Ti–V system for molecular dynamics simulations
  publication-title: Modelling Simul. Mater. Sci. Eng.
  doi: 10.1088/0965-0393/ab8863
  contributor:
    fullname: Kartamyshev
– volume: 80
  year: 1951
  ident: 10.1016/j.commatsci.2024.113533_b73
  article-title: The alloys of molybdenum and tantalum
  publication-title: J. Inst. Met.
  contributor:
    fullname: Geach
– volume: 8
  start-page: 997
  issue: 90
  year: 1963
  ident: 10.1016/j.commatsci.2024.113533_b40
  article-title: Self-diffusion in molybdenum
  publication-title: Phil. Mag.
  doi: 10.1080/14786436308214459
  contributor:
    fullname: Askill
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