Prediction of A2 to B2 Phase Transition in the High-Entropy Alloy Mo-Nb-Ta-W
In this article, we show that an effective Hamiltonian fit with first-principles calculations predicts that an order/disorder transition occurs in the high-entropy alloy Mo-Nb-Ta-W. Using the Alloy Theoretic Automated Toolkit, we find T = 0 K enthalpies of formation for all binaries containing Mo,...
Saved in:
| Published in | JOM (1989) Vol. 65; no. 12; pp. 1772 - 1779 |
|---|---|
| Main Authors | , |
| Format | Journal Article |
| Language | English |
| Published |
Boston
Springer US
01.12.2013
Springer Nature B.V |
| Subjects | |
| Online Access | Get full text |
Cover
Loading…
| Abstract | In this article, we show that an effective Hamiltonian fit with first-principles calculations predicts that an order/disorder transition occurs in the high-entropy alloy Mo-Nb-Ta-W. Using the Alloy Theoretic Automated Toolkit, we find
T
= 0 K enthalpies of formation for all binaries containing Mo, Nb, Ta, and W, and in particular, we find the stable structures for binaries at equiatomic concentrations are close in energy to the associated B2 structure, suggesting that at intermediate temperatures, a B2 phase is stabilized in Mo-Nb-Ta-W. Our previously published hybrid Monte Carlo (MC)/molecular dynamics (MD) results for the Mo-Nb-Ta-W system are analyzed to identify certain preferred chemical bonding types. A mean field free energy model incorporating nearest-neighbor bonds is derived, allowing us to predict the mechanism of the order/disorder transition. We find the temperature evolution of the system is driven by strong Mo-Ta bonding. A comparison of the free energy model and our MC/MD results suggests the existence of additional low-temperature phase transitions in the system likely ending with phase segregation into binary phases. |
|---|---|
| AbstractList | In this article, we show that an effective Hamiltonian fit with first-principles calculations predicts that an order/disorder transition occurs in the high-entropy alloy Mo-Nb-Ta-W. Using the Alloy Theoretic Automated Toolkit, we find
T
= 0 K enthalpies of formation for all binaries containing Mo, Nb, Ta, and W, and in particular, we find the stable structures for binaries at equiatomic concentrations are close in energy to the associated B2 structure, suggesting that at intermediate temperatures, a B2 phase is stabilized in Mo-Nb-Ta-W. Our previously published hybrid Monte Carlo (MC)/molecular dynamics (MD) results for the Mo-Nb-Ta-W system are analyzed to identify certain preferred chemical bonding types. A mean field free energy model incorporating nearest-neighbor bonds is derived, allowing us to predict the mechanism of the order/disorder transition. We find the temperature evolution of the system is driven by strong Mo-Ta bonding. A comparison of the free energy model and our MC/MD results suggests the existence of additional low-temperature phase transitions in the system likely ending with phase segregation into binary phases. Our results for binaries (Fig. 1) may be summarized as follows. Mo-Ta shows strongest bonding, with strongest enthalpy of formation of -186 meV/ atom. Mo-Nb and Ta-W have nearly equal bonding at -103 meV/atom and -110 meV/atom, respectively, with Nb-W the weakest of the intergroup binaries at -53 meV/atom. The intragroup binaries Mo-W and Nb-Ta are essentially ideal (i.e., vanishing enthalpy). Our results for binaries (Fig. 1) may be summa- rized as follows. Mo-Ta shows strongest bonding, with strongest enthalpy of formation of -186 meV/ atom. Mo-Nb and Ta-W have nearly equal bonding at -103 meV/atom and -110 meV/atom, respec- tively, with Nb-W the weakest of the intergroup binaries at -53 meV/atom. The intragroup binaries Mo-W and Nb-Ta are essentially ideal (i.e., vanish- ing enthalpy). |
| Author | Widom, Michael Huhn, William Paul |
| Author_xml | – sequence: 1 givenname: William Paul surname: Huhn fullname: Huhn, William Paul email: wph@andrew.cmu.edu organization: Carnegie Mellon University – sequence: 2 givenname: Michael surname: Widom fullname: Widom, Michael organization: Carnegie Mellon University |
| BookMark | eNp9kE1PAyEURYmpibX6A9yRuHGD8gZmYJa18SupH4sal4QyTEszhQrTRf-9M9aFaaIrCJzzct89RQMfvEXoAug1UCpuEoBkglBghAqREXaEhpBzRkDmMOjulAvCJZMn6DSlFe0cXsIQTd-irZxpXfA41Hic4Tbg2wy_LXWyeBa1T-7703ncLi1-dIslufNtDJsdHjdN2OHnQF7mZKbJxxk6rnWT7PnPOULv93ezySOZvj48TcZTYjjkLRHU1lVVaVoDWN0H1NrIuaxMKfLCynnBMkM151UuKQhjbFF27yAqKzMqJBuhq_3cTQyfW5tatXbJ2KbR3oZtUlDkwASDknXo5QG6Ctvou3QKeCEEz0WZd5TYUyaGlKKtlXGt7vduo3aNAqr6ltW-ZdW1rPqWVT8fDsxNdGsdd_862d5JHesXNv7K9Kf0Bb1zjdQ |
| CODEN | JOMMER |
| CitedBy_id | crossref_primary_10_1016_j_actamat_2017_06_027 crossref_primary_10_1063_5_0122502 crossref_primary_10_1016_j_matdes_2019_107698 crossref_primary_10_1016_j_intermet_2022_107707 crossref_primary_10_1080_00084433_2024_2395674 crossref_primary_10_1007_s11669_017_0582_3 crossref_primary_10_1063_5_0203280 crossref_primary_10_1103_PhysRevB_100_134108 crossref_primary_10_1103_PhysRevMaterials_2_055004 crossref_primary_10_1038_s41524_020_00377_5 crossref_primary_10_1557_jmr_2017_366 crossref_primary_10_1103_PhysRevApplied_8_054016 crossref_primary_10_1080_09506608_2016_1180020 crossref_primary_10_1007_s42864_024_00311_y crossref_primary_10_1016_j_commatsci_2020_109618 crossref_primary_10_1080_21663831_2016_1198837 crossref_primary_10_1021_acsmaterialslett_4c01725 crossref_primary_10_1038_s41524_021_00502_y crossref_primary_10_1007_s11669_018_0651_2 crossref_primary_10_1103_PhysRevMaterials_4_023608 crossref_primary_10_1070_RCR5023 crossref_primary_10_1016_j_scriptamat_2023_115750 crossref_primary_10_2139_ssrn_4060040 crossref_primary_10_1557_jmr_2018_323 crossref_primary_10_1016_j_matchar_2020_110719 crossref_primary_10_1103_PhysRevMaterials_7_063803 crossref_primary_10_1016_j_actamat_2018_07_042 crossref_primary_10_1103_PhysRevMaterials_5_063606 crossref_primary_10_1038_s41467_021_25134_0 crossref_primary_10_1016_j_actamat_2016_08_081 crossref_primary_10_1038_s41467_018_06757_2 crossref_primary_10_1007_s11669_024_01084_0 crossref_primary_10_1016_j_actamat_2017_02_014 crossref_primary_10_1016_j_jallcom_2016_08_121 crossref_primary_10_35995_jame60020006 crossref_primary_10_1016_j_pmatsci_2024_101332 crossref_primary_10_1016_j_actamat_2015_07_030 crossref_primary_10_1016_j_matchar_2018_06_019 crossref_primary_10_1016_j_matdes_2020_108716 crossref_primary_10_1016_j_mtcomm_2022_104146 crossref_primary_10_1007_s11661_015_3246_0 crossref_primary_10_1016_j_matchemphys_2017_07_082 crossref_primary_10_1142_S2196888822500312 crossref_primary_10_2320_matertrans_MT_D2023002 crossref_primary_10_1016_j_matchar_2023_113385 crossref_primary_10_1007_s12666_022_02777_1 crossref_primary_10_7121_msi_eureka_20_28255_1_1 crossref_primary_10_1063_5_0200862 crossref_primary_10_1016_j_cossms_2017_08_001 crossref_primary_10_1016_j_ijrmhm_2022_105780 crossref_primary_10_1007_s12540_017_6583_2 crossref_primary_10_3390_met11010076 crossref_primary_10_1002_adfm_202408941 crossref_primary_10_1016_j_jnucmat_2017_02_042 crossref_primary_10_3390_e18080403 crossref_primary_10_1016_j_jallcom_2020_153805 crossref_primary_10_1016_j_actamat_2019_01_023 crossref_primary_10_1016_j_jallcom_2022_165477 crossref_primary_10_1016_j_jmrt_2024_10_034 crossref_primary_10_1557_jmr_2018_153 crossref_primary_10_1016_j_actamat_2021_117556 crossref_primary_10_1063_5_0059453 crossref_primary_10_1063_5_0181330 crossref_primary_10_1080_21663831_2024_2326014 crossref_primary_10_1103_PhysRevMaterials_7_013801 crossref_primary_10_1557_jmr_2018_222 crossref_primary_10_1016_j_jmst_2021_01_054 crossref_primary_10_1016_j_micron_2017_10_001 crossref_primary_10_1007_s12598_021_01931_w crossref_primary_10_1016_j_commatsci_2016_11_035 crossref_primary_10_1016_j_mtla_2021_101133 crossref_primary_10_1007_s11669_017_0570_7 crossref_primary_10_1080_21663831_2018_1434248 crossref_primary_10_1007_s12598_017_0912_y crossref_primary_10_1038_s43588_021_00097_w crossref_primary_10_1016_j_matchemphys_2021_125409 crossref_primary_10_1038_s41578_019_0170_8 crossref_primary_10_1016_j_matchar_2020_110179 crossref_primary_10_1016_j_pmatsci_2024_101359 crossref_primary_10_1007_s44210_024_00041_3 crossref_primary_10_1016_j_actamat_2015_07_010 crossref_primary_10_1016_j_actamat_2019_10_015 crossref_primary_10_1016_j_commatsci_2020_110135 crossref_primary_10_1016_j_jallcom_2020_155726 crossref_primary_10_1007_s40195_021_01282_6 crossref_primary_10_1016_j_actamat_2017_10_017 crossref_primary_10_1038_s41524_019_0195_y crossref_primary_10_1016_j_matchar_2021_110877 crossref_primary_10_1016_j_intermet_2020_106994 |
| Cites_doi | 10.1103/PhysRevB.69.214202 10.1016/j.intermet.2011.01.004 10.1016/0022-5088(83)90489-7 10.1361/105497102770331596 10.1007/s11661-006-0234-4 10.1103/PhysRevB.71.094206 10.1088/0965-0393/10/5/304 10.1016/S0364-5916(02)80006-2 10.1103/PhysRevLett.77.3865 10.1016/0001-6160(66)90070-8 10.1103/PhysRevB.64.085112 10.1002/adem.200300567 10.1007/s11661-013-2000-8 10.1016/j.physb.2011.12.088 10.1063/1.2734517 10.1002/adem.200700240 10.1016/j.calphad.2005.01.002 10.1007/BF02645586 10.1016/j.jallcom.2006.12.163 10.1016/j.intermet.2010.05.014 10.1103/PhysRevB.72.020104 10.1103/PhysRevB.47.558 10.1103/PhysRevB.69.020103 10.1103/PhysRevB.54.11169 10.1016/j.jallcom.2012.04.053 10.1016/j.calphad.2008.12.005 10.1103/PhysRevB.50.17953 10.1038/nmat1374 |
| ContentType | Journal Article |
| Copyright | The Minerals, Metals & Materials Society 2013 Copyright Springer Science & Business Media Dec 2013 |
| Copyright_xml | – notice: The Minerals, Metals & Materials Society 2013 – notice: Copyright Springer Science & Business Media Dec 2013 |
| DBID | AAYXX CITATION 3V. 4T- 4U- 7SR 7TA 7WY 7XB 883 88I 8BQ 8FD 8FE 8FG 8FK 8FL ABJCF ABUWG AFKRA AZQEC BENPR BEZIV BGLVJ CCPQU D1I DWQXO FRNLG GNUQQ HCIFZ JG9 K60 K6~ KB. L.- M0F M2P PDBOC PHGZM PHGZT PKEHL PQBIZ PQBZA PQEST PQGLB PQQKQ PQUKI PRINS Q9U S0X 7QF 7U5 L7M |
| DOI | 10.1007/s11837-013-0772-3 |
| DatabaseName | CrossRef ProQuest Central (Corporate) Docstoc University Readers Engineered Materials Abstracts Materials Business File ProQuest ABI/INFORM Collection ProQuest Central (purchase pre-March 2016) ABI/INFORM Trade & Industry (Alumni) Science Database (Alumni Edition) METADEX Technology Research Database ProQuest SciTech Collection ProQuest Technology Collection ProQuest Central (Alumni) (purchase pre-March 2016) ABI/INFORM Collection (Alumni) ProQuest MSED ProQuest Central (Alumni) ProQuest Central UK/Ireland ProQuest Central Essentials Proquest Central Business Premium Collection Technology collection ProQuest One Community College ProQuest Materials Science Collection ProQuest Central Business Premium Collection (Alumni) ProQuest Central Student SciTech Premium Collection Materials Research Database ProQuest Business Collection (Alumni Edition) ProQuest Business Collection Materials Science Database ABI/INFORM Professional Advanced ABI/INFORM Trade & Industry Science Database Materials Science Collection ProQuest Central Premium ProQuest One Academic ProQuest One Academic Middle East (New) ProQuest One Business ProQuest One Business (Alumni) ProQuest One Academic Eastern Edition (DO NOT USE) ProQuest One Applied & Life Sciences ProQuest One Academic ProQuest One Academic UKI Edition ProQuest Central China ProQuest Central Basic SIRS Editorial Aluminium Industry Abstracts Solid State and Superconductivity Abstracts Advanced Technologies Database with Aerospace |
| DatabaseTitle | CrossRef Materials Research Database ProQuest Business Collection (Alumni Edition) ProQuest One Business University Readers ProQuest Central Student Technology Collection Technology Research Database ProQuest One Academic Middle East (New) ProQuest Central Essentials SIRS Editorial Materials Science Collection ProQuest Central (Alumni Edition) SciTech Premium Collection ProQuest One Community College ProQuest Central China ABI/INFORM Complete Materials Business File ProQuest Central ABI/INFORM Professional Advanced ProQuest One Applied & Life Sciences Engineered Materials Abstracts ProQuest Central Korea Materials Science Database ProQuest Central (New) ABI/INFORM Complete (Alumni Edition) ProQuest Materials Science Collection Business Premium Collection ProQuest Science Journals (Alumni Edition) ABI/INFORM Trade & Industry (Alumni Edition) ProQuest Central Basic ProQuest Science Journals ProQuest One Academic Eastern Edition ProQuest Technology Collection ProQuest SciTech Collection ProQuest Business Collection METADEX ProQuest One Academic UKI Edition Docstoc Materials Science & Engineering Collection ProQuest One Business (Alumni) ABI/INFORM Trade & Industry ProQuest One Academic ProQuest Central (Alumni) Business Premium Collection (Alumni) ProQuest One Academic (New) Aluminium Industry Abstracts Solid State and Superconductivity Abstracts Advanced Technologies Database with Aerospace |
| DatabaseTitleList | Materials Research Database Materials Research Database |
| Database_xml | – sequence: 1 dbid: 8FG name: ProQuest Technology Collection url: https://search.proquest.com/technologycollection1 sourceTypes: Aggregation Database |
| DeliveryMethod | fulltext_linktorsrc |
| Discipline | Engineering Physics |
| EISSN | 1543-1851 |
| EndPage | 1779 |
| ExternalDocumentID | 3155434301 10_1007_s11837_013_0772_3 |
| Genre | Feature |
| GroupedDBID | -58 -5G -BR -DZ -EM -Y2 -~C -~X .4S .86 .DC 06C 06D 0R~ 0VY 199 1N0 203 29J 29~ 2J2 2JN 2JY 2KG 2KM 2LR 2~H 30V 3V. 4.4 406 408 40D 40E 5GY 5VS 67Z 6NX 6TJ 78A 7WY 883 88I 8FE 8FG 8FL 8FW 8R4 8R5 8UJ 95- 95. 95~ 96X AABHQ AACDK AAEWM AAGAY AAHNG AAIAL AAJBT AAJKR AANZL AARHV AASML AATNV AATVU AAUYE AAYIU AAYQN AAYTO AAYZH ABAKF ABDZT ABECU ABEFU ABFTV ABHLI ABHQN ABJCF ABJNI ABJOX ABKCH ABMNI ABMQK ABNWP ABQBU ABSXP ABTEG ABTHY ABTKH ABTMW ABULA ABUWG ABWNU ABXPI ACAOD ACBEA ACBXY ACDTI ACGFO ACGFS ACGOD ACHSB ACHXU ACIWK ACKNC ACMDZ ACMLO ACOKC ACOMO ACPIV ACZOJ ADHHG ADHIR ADINQ ADKNI ADKPE ADMXK ADRFC ADTPH ADURQ ADYFF ADZKW AEBTG AEFQL AEGNC AEJHL AEJRE AEKMD AEMSY AENEX AEOHA AEPYU AESKC AETLH AEVLU AEXYK AFBBN AFKRA AFLOW AFQWF AFWTZ AFZKB AGAYW AGDGC AGJBK AGMZJ AGQEE AGQMX AGRTI AGWIL AGWZB AGYKE AHAVH AHBYD AHKAY AHSBF AHYZX AI. AIAKS AIGIU AIIXL AILAN AITGF AJBLW AJRNO AJZVZ ALMA_UNASSIGNED_HOLDINGS ALWAN AMKLP AMXSW AMYLF AMYQR AOCGG ARCEE ARCSS ARMRJ ASPBG AVWKF AXYYD AYJHY AZFZN AZQEC B-. BA0 BDATZ BENPR BEZIV BGLVJ BGNMA BKOMP BPHCQ CAG CCPQU COF CS3 CSCUP D1I DDRTE DNIVK DPUIP DU5 DWQXO EBLON EBS EDO EIOEI EJD ESBYG F5P FAC FAL FERAY FFXSO FIGPU FINBP FJD FJW FNLPD FRNLG FRRFC FSGXE FWDCC G-Y G-Z GGCAI GGRSB GJIRD GNUQQ GNWQR GQ6 GQ7 GROUPED_ABI_INFORM_COMPLETE H13 HCIFZ HF~ HG5 HG6 HMJXF HRMNR HZ~ H~9 I-F IJ- IKXTQ ITM IWAJR IXC IZQ I~X I~Z J-C J0Z JBSCW JZLTJ K60 K6~ KB. KDC KOV LLZTM M0F M2P M4Y MA- MK~ MQGED N9A NB0 NPVJJ NQJWS NU0 O9- O93 O9J P2P P9N PDBOC PF0 PQBIZ PQBZA PQQKQ PROAC PT4 Q2X QF4 QM1 QN7 QO4 QOK QOS R89 R9I RHV RNS ROL RPX RSV RXW S0X S16 S1Z S27 S3B SAP SCG SCLPG SCM SCV SDH SHX SISQX SJYHP SNE SNPRN SNX SOHCF SOJ SPISZ SRMVM SSLCW STPWE SZN T13 TAE TSG TSK TSV TUC TUS U2A UAO UG4 UOJIU UTJUX UZXMN VC2 VFIZW VH1 W48 WH7 WK8 YLTOR Z45 Z5O Z7R Z7S Z7V Z7W Z7X Z7Y Z7Z Z81 Z83 Z85 Z86 Z88 Z8M Z8N Z8P Z8Q Z8R Z8S Z8T Z8W Z8Z Z92 ZMTXR ~02 ~EX AAPKM AAYXX ABBRH ABDBE ABFSG ACSTC AEZWR AFDZB AFHIU AHPBZ AHWEU AIXLP AYFIA CITATION PHGZM PHGZT 4T- 4U- 7SR 7TA 7XB 8BQ 8FD 8FK ABRTQ JG9 L.- PKEHL PQEST PQGLB PQUKI PRINS Q9U 7QF 7U5 L7M |
| ID | FETCH-LOGICAL-c415t-70efddda0f11ea1851aac8b8dc9756e8b632c0a44d58017cce6956e17de820783 |
| IEDL.DBID | BENPR |
| ISSN | 1047-4838 |
| IngestDate | Tue Aug 05 11:33:54 EDT 2025 Sat Aug 23 14:41:39 EDT 2025 Thu Apr 24 22:56:14 EDT 2025 Tue Jul 01 04:23:02 EDT 2025 Fri Feb 21 02:31:35 EST 2025 |
| IsPeerReviewed | true |
| IsScholarly | true |
| Issue | 12 |
| Keywords | Ground State Structure Convex Hull Monte Carlo Cluster Expansion Free Energy Model |
| Language | English |
| License | http://www.springer.com/tdm |
| LinkModel | DirectLink |
| MergedId | FETCHMERGED-LOGICAL-c415t-70efddda0f11ea1851aac8b8dc9756e8b632c0a44d58017cce6956e17de820783 |
| Notes | SourceType-Scholarly Journals-1 ObjectType-Feature-1 content type line 14 ObjectType-Article-1 ObjectType-Feature-2 content type line 23 |
| PQID | 1467745795 |
| PQPubID | 42295 |
| PageCount | 8 |
| ParticipantIDs | proquest_miscellaneous_1651373193 proquest_journals_1467745795 crossref_citationtrail_10_1007_s11837_013_0772_3 crossref_primary_10_1007_s11837_013_0772_3 springer_journals_10_1007_s11837_013_0772_3 |
| ProviderPackageCode | CITATION AAYXX |
| PublicationCentury | 2000 |
| PublicationDate | 2013-12-01 |
| PublicationDateYYYYMMDD | 2013-12-01 |
| PublicationDate_xml | – month: 12 year: 2013 text: 2013-12-01 day: 01 |
| PublicationDecade | 2010 |
| PublicationPlace | Boston |
| PublicationPlace_xml | – name: Boston – name: New York |
| PublicationSubtitle | The Journal of The Minerals, Metals & Materials Society (TMS) |
| PublicationTitle | JOM (1989) |
| PublicationTitleAbbrev | JOM |
| PublicationYear | 2013 |
| Publisher | Springer US Springer Nature B.V |
| Publisher_xml | – name: Springer US – name: Springer Nature B.V |
| References | KresseGHafnerJPhys. Rev. B19934355810.1103/PhysRevB.47.558 SenkovONWilksGBScottJMMiracleDBIntermetallics20111969810.1016/j.intermet.2011.01.004 van de WalleACederGJ. Phase Equilib.20022334810.1361/105497102770331596 del GrossoMFBozzoloGMoscaHOJ. Alloy. Compd.20125342510.1016/j.jallcom.2012.04.053 van de WalleAAstaMCederGCALPHAD20022653910.1016/S0364-5916(02)80006-2 van TorneLIThomasGActa Metall. Mater.19661462110.1016/0001-6160(66)90070-8 VillarsPJ. Less-Common Met.19839221510.1016/0022-5088(83)90489-7 YehJ-WChenS-KGanJLinS-JChinT-SShunT-TTsauC-HChangS-YMetall. Mater. Trans. A200435A253310.1007/s11661-006-0234-4 BlöchlPEPhys. Rev. B1994501795310.1103/PhysRevB.50.17953 TurchiPEADrchalVKudrnovskyJColinetCKaufmanLLiuZ-KPhys. Rev. B.20057109420610.1103/PhysRevB.71.094206 TurchiPEAGonisADrchalVKudrnovskýJPhys. Rev. B20016408511210.1103/PhysRevB.64.085112 R. Kozak and W. Steurer, Intermetallics (2013) (submitted). M. Widom, W.P. Huhn, S. Maiti, and W. Steurer, Metall. Mater. Trans. A (2013). doi:10.1007/s11661-013-2000-8. van de WalleACALPHAD20093326610.1016/j.calphad.2008.12.005 CurtaroloSMorganDCederGCALPHAD20052916310.1016/j.calphad.2005.01.002 JiangCWolvertonCSofoJChenL-QLiuZ-KPhys. Rev. B20046921420210.1103/PhysRevB.69.214202 KresseGFurthmüllerJPhys. Rev. B1996541116910.1103/PhysRevB.54.11169 SinghalSCWorrellWLMetall. Trans.1973489510.1007/BF02645586 ZhangYZhouYJLinJPChenGLLiawPKAdv. Eng. Mater.20081053410.1002/adem.200700240 YehJ-WChenS-KLinS-JGanJ-YChinT-SShunT-TTsauC-HChangS-YAdv. Eng. Mater.2004629910.1002/adem.200300567 PerdewJPBurkeKErnzerhofMPhys. Rev. Lett.199677386510.1103/PhysRevLett.77.3865 SenkovONWilksGBMiracleDBChuangCPLiawPKIntermetallics2010181758176510.1016/j.intermet.2010.05.014 HartGLWBlumVMalorskiMJZungerANat. Mater.2005439110.1038/nmat1374 van de WalleAAstaMModel. Simul. Mater. Sci.20021052110.1088/0965-0393/10/5/304 BlumVZungerAPhys. Rev. B.20046902010310.1103/PhysRevB.69.020103 ZhouYJZhangYWangYLChenGLAppl. Phys. Lett.20079018190410.1063/1.2734517 BlumVZungerAPhys. Rev. B20057202010410.1103/PhysRevB.72.020104 Masuda-JindoKHungVVHoaNTTurchiPEAJ. Alloy. Compd.200845212710.1016/j.jallcom.2006.12.163 del GrossoMFBozzoloGMoscaHOPhysica B2012407328510.1016/j.physb.2011.12.088 ON Senkov (772_CR5) 2010; 18 K Masuda-Jindo (772_CR26) 2008; 452 A Walle van de (772_CR9) 2002; 10 772_CR7 A Walle van de (772_CR8) 2002; 23 772_CR1 JP Perdew (772_CR15) 1996; 77 LI Torne van (772_CR18) 1966; 14 S Curtarolo (772_CR20) 2005; 29 ON Senkov (772_CR6) 2011; 19 GLW Hart (772_CR16) 2005; 4 J-W Yeh (772_CR2) 2004; 6 A Walle van de (772_CR10) 2002; 26 PE Blöchl (772_CR14) 1994; 50 J-W Yeh (772_CR3) 2004; 35A Y Zhang (772_CR29) 2008; 10 C Jiang (772_CR19) 2004; 69 PEA Turchi (772_CR22) 2005; 71 YJ Zhou (772_CR4) 2007; 90 G Kresse (772_CR13) 1996; 54 MF Grosso del (772_CR27) 2012; 407 P Villars (772_CR23) 1983; 92 A Walle van de (772_CR11) 2009; 33 MF Grosso del (772_CR28) 2012; 534 V Blum (772_CR17) 2005; 72 SC Singhal (772_CR24) 1973; 4 V Blum (772_CR21) 2004; 69 PEA Turchi (772_CR25) 2001; 64 G Kresse (772_CR12) 1993; 43 |
| References_xml | – reference: M. Widom, W.P. Huhn, S. Maiti, and W. Steurer, Metall. Mater. Trans. A (2013). doi:10.1007/s11661-013-2000-8. – reference: KresseGFurthmüllerJPhys. Rev. B1996541116910.1103/PhysRevB.54.11169 – reference: CurtaroloSMorganDCederGCALPHAD20052916310.1016/j.calphad.2005.01.002 – reference: ZhouYJZhangYWangYLChenGLAppl. Phys. Lett.20079018190410.1063/1.2734517 – reference: Masuda-JindoKHungVVHoaNTTurchiPEAJ. Alloy. Compd.200845212710.1016/j.jallcom.2006.12.163 – reference: van de WalleAAstaMModel. Simul. Mater. Sci.20021052110.1088/0965-0393/10/5/304 – reference: van de WalleAAstaMCederGCALPHAD20022653910.1016/S0364-5916(02)80006-2 – reference: SenkovONWilksGBMiracleDBChuangCPLiawPKIntermetallics2010181758176510.1016/j.intermet.2010.05.014 – reference: PerdewJPBurkeKErnzerhofMPhys. Rev. Lett.199677386510.1103/PhysRevLett.77.3865 – reference: BlöchlPEPhys. Rev. B1994501795310.1103/PhysRevB.50.17953 – reference: BlumVZungerAPhys. Rev. B.20046902010310.1103/PhysRevB.69.020103 – reference: HartGLWBlumVMalorskiMJZungerANat. Mater.2005439110.1038/nmat1374 – reference: VillarsPJ. Less-Common Met.19839221510.1016/0022-5088(83)90489-7 – reference: van TorneLIThomasGActa Metall. Mater.19661462110.1016/0001-6160(66)90070-8 – reference: ZhangYZhouYJLinJPChenGLLiawPKAdv. Eng. Mater.20081053410.1002/adem.200700240 – reference: SenkovONWilksGBScottJMMiracleDBIntermetallics20111969810.1016/j.intermet.2011.01.004 – reference: TurchiPEADrchalVKudrnovskyJColinetCKaufmanLLiuZ-KPhys. Rev. B.20057109420610.1103/PhysRevB.71.094206 – reference: del GrossoMFBozzoloGMoscaHOPhysica B2012407328510.1016/j.physb.2011.12.088 – reference: JiangCWolvertonCSofoJChenL-QLiuZ-KPhys. Rev. B20046921420210.1103/PhysRevB.69.214202 – reference: BlumVZungerAPhys. Rev. B20057202010410.1103/PhysRevB.72.020104 – reference: YehJ-WChenS-KGanJLinS-JChinT-SShunT-TTsauC-HChangS-YMetall. Mater. Trans. A200435A253310.1007/s11661-006-0234-4 – reference: R. Kozak and W. Steurer, Intermetallics (2013) (submitted). – reference: SinghalSCWorrellWLMetall. Trans.1973489510.1007/BF02645586 – reference: van de WalleACederGJ. Phase Equilib.20022334810.1361/105497102770331596 – reference: del GrossoMFBozzoloGMoscaHOJ. Alloy. Compd.20125342510.1016/j.jallcom.2012.04.053 – reference: YehJ-WChenS-KLinS-JGanJ-YChinT-SShunT-TTsauC-HChangS-YAdv. Eng. Mater.2004629910.1002/adem.200300567 – reference: KresseGHafnerJPhys. Rev. B19934355810.1103/PhysRevB.47.558 – reference: TurchiPEAGonisADrchalVKudrnovskýJPhys. Rev. B20016408511210.1103/PhysRevB.64.085112 – reference: van de WalleACALPHAD20093326610.1016/j.calphad.2008.12.005 – volume: 69 start-page: 214202 year: 2004 ident: 772_CR19 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.69.214202 – volume: 19 start-page: 698 year: 2011 ident: 772_CR6 publication-title: Intermetallics doi: 10.1016/j.intermet.2011.01.004 – volume: 92 start-page: 215 year: 1983 ident: 772_CR23 publication-title: J. Less-Common Met. doi: 10.1016/0022-5088(83)90489-7 – volume: 23 start-page: 348 year: 2002 ident: 772_CR8 publication-title: J. Phase Equilib. doi: 10.1361/105497102770331596 – volume: 35A start-page: 2533 year: 2004 ident: 772_CR3 publication-title: Metall. Mater. Trans. A doi: 10.1007/s11661-006-0234-4 – volume: 71 start-page: 094206 year: 2005 ident: 772_CR22 publication-title: Phys. Rev. B. doi: 10.1103/PhysRevB.71.094206 – volume: 10 start-page: 521 year: 2002 ident: 772_CR9 publication-title: Model. Simul. Mater. Sci. doi: 10.1088/0965-0393/10/5/304 – volume: 26 start-page: 539 year: 2002 ident: 772_CR10 publication-title: CALPHAD doi: 10.1016/S0364-5916(02)80006-2 – volume: 77 start-page: 3865 year: 1996 ident: 772_CR15 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.77.3865 – volume: 14 start-page: 621 year: 1966 ident: 772_CR18 publication-title: Acta Metall. Mater. doi: 10.1016/0001-6160(66)90070-8 – volume: 64 start-page: 085112 year: 2001 ident: 772_CR25 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.64.085112 – volume: 6 start-page: 299 year: 2004 ident: 772_CR2 publication-title: Adv. Eng. Mater. doi: 10.1002/adem.200300567 – ident: 772_CR7 doi: 10.1007/s11661-013-2000-8 – volume: 407 start-page: 3285 year: 2012 ident: 772_CR27 publication-title: Physica B doi: 10.1016/j.physb.2011.12.088 – volume: 90 start-page: 181904 year: 2007 ident: 772_CR4 publication-title: Appl. Phys. Lett. doi: 10.1063/1.2734517 – ident: 772_CR1 – volume: 10 start-page: 534 year: 2008 ident: 772_CR29 publication-title: Adv. Eng. Mater. doi: 10.1002/adem.200700240 – volume: 29 start-page: 163 year: 2005 ident: 772_CR20 publication-title: CALPHAD doi: 10.1016/j.calphad.2005.01.002 – volume: 4 start-page: 895 year: 1973 ident: 772_CR24 publication-title: Metall. Trans. doi: 10.1007/BF02645586 – volume: 452 start-page: 127 year: 2008 ident: 772_CR26 publication-title: J. Alloy. Compd. doi: 10.1016/j.jallcom.2006.12.163 – volume: 18 start-page: 17581765 year: 2010 ident: 772_CR5 publication-title: Intermetallics doi: 10.1016/j.intermet.2010.05.014 – volume: 72 start-page: 020104 year: 2005 ident: 772_CR17 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.72.020104 – volume: 43 start-page: 558 year: 1993 ident: 772_CR12 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.47.558 – volume: 69 start-page: 020103 year: 2004 ident: 772_CR21 publication-title: Phys. Rev. B. doi: 10.1103/PhysRevB.69.020103 – volume: 54 start-page: 11169 year: 1996 ident: 772_CR13 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.54.11169 – volume: 534 start-page: 25 year: 2012 ident: 772_CR28 publication-title: J. Alloy. Compd. doi: 10.1016/j.jallcom.2012.04.053 – volume: 33 start-page: 266 year: 2009 ident: 772_CR11 publication-title: CALPHAD doi: 10.1016/j.calphad.2008.12.005 – volume: 50 start-page: 17953 year: 1994 ident: 772_CR14 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.50.17953 – volume: 4 start-page: 391 year: 2005 ident: 772_CR16 publication-title: Nat. Mater. doi: 10.1038/nmat1374 |
| SSID | ssj0007491 |
| Score | 2.417276 |
| Snippet | In this article, we show that an effective Hamiltonian fit with first-principles calculations predicts that an order/disorder transition occurs in the... Our results for binaries (Fig. 1) may be summa- rized as follows. Mo-Ta shows strongest bonding, with strongest enthalpy of formation of -186 meV/ atom. Mo-Nb... Our results for binaries (Fig. 1) may be summarized as follows. Mo-Ta shows strongest bonding, with strongest enthalpy of formation of -186 meV/ atom. Mo-Nb... |
| SourceID | proquest crossref springer |
| SourceType | Aggregation Database Enrichment Source Index Database Publisher |
| StartPage | 1772 |
| SubjectTerms | Alloys Automation Binary system Bonding Chemical bonds Chemistry/Food Science Earth Sciences Engineering Enthalpy Entropy Environment Formations Molybdenum Molybdenum base alloys Niobium Phase transformations Phase transitions Physics Studies Temperature |
| SummonAdditionalLinks | – databaseName: SpringerLink Journals (ICM) dbid: U2A link: http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwlV1LSwMxEA5aEfQgWhWrVSJ4UgL7yMvjKhYRFQ8t9rZk80Ch7BZbD_57J-luW0UFzzubhckk3zc7XyYInVEqjHZUEFVoSqgSmkiAReJopCQvtE3Dr4uHR347oHdDNqzPcU8atXtTkgw79eKwG0Sfl0mmJAJKSNJVtMYgdfc6rkGSzbdfQcM1eaEFAZWpbEqZPw3xFYwWDPNbUTRgTW8bbdUkEWezWd1BK7Zso82l1oFttB6km3qyi-6f3nyxxTsYVw5nCZ5W-CrBTy8AUDhgUZBl4dcSA9vDXtlBbrxAffyBs9Go-sAPFXksSF-R5z006N30r29JfUcC0QC9UyIi64wxKnJxbBWAb6yUloU0-lIwbmXB00RHilLDAIuE1pZDRmRjYSxgv5DpPmqVVWkPEAYyEHMtI26ZocY4yUzCtbPUOlokseugqHFWrusG4v4ei1G-aH3s_ZuDf3Pv3zztoPP5K-NZ94y_jLvNDOT1Qpr4zAQIKhOXrINO549hCfi6hipt9Q42nMWpgL0EhrhoZm5piN8-ePgv6yO0kfjICVKWLmpN397tMRCSaXESAvAT3HTT3w priority: 102 providerName: Springer Nature |
| Title | Prediction of A2 to B2 Phase Transition in the High-Entropy Alloy Mo-Nb-Ta-W |
| URI | https://link.springer.com/article/10.1007/s11837-013-0772-3 https://www.proquest.com/docview/1467745795 https://www.proquest.com/docview/1651373193 |
| Volume | 65 |
| hasFullText | 1 |
| inHoldings | 1 |
| isFullTextHit | |
| isPrint | |
| link | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwfV1LTxsxEB6V5NIeELRFDY_ISD21sroPr21OaIMSEC1RVBEVTiuvHwIp2g0QDvx7xmY3SZHguuu1pXl9szPjGYDvjAmjHRNUlZpRpoSmEmGROhYpyUtt0xC6uBjzsyk7v8qumoDbQ1NW2drEYKhNrX2M_JfXaMEycZQdz--onxrls6vNCI0N6KIJlrID3cFwPPm7tMWChZl5oR8Bk6ls85rh8hxKsy-7TGmELiZN_0emlbv5KkMagGe0BZuNx0jyFxZvwwdbfYZPa30Ev8Cfyb3Pt3gak9qRPCGLmgwSMrlBjCIBjkJlFrmtCDp8xBd30KGvUZ8_kXw2q5_IRU3HJb1U9N9XmI6GlydntBmTQDWi74KKyDpjjIpcHFuF-BsrpWUpjT4SGbey5GmiI8WYyRCOhNaW40-RjYWxCP9CpjvQqerKfgOC_kDMtYy4zQwzxsnMJFw7y6xjZRK7HkQtiQrd9BD3oyxmxar7sadqgVQtPFWLtAc_lp_MXxpovLd4v6V70ejSQ7HifA8Ol69RC3xqQ1W2fsQ1PItTgeYEt_jZ8mtti7cO3H3_wD34mHgBCeUr-9BZ3D_aA3RCFmUfNuTotA_d_PT697DfyB0-nSb5M-4z2UA |
| linkProvider | ProQuest |
| linkToHtml | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwtV1LTxsxEB5Remg5VH2qoRRcqb20srq79trmgFAopKEkEYegctt6_RBI0W4KQVX-FL-RsZNNKBLcOK93LI1n5ht7XgCfOZfWeC6pLg2nXEtDFcIi9TzRSpTGsfh00R-I7gn_dZqfrsB1UwsT0iobmxgNta1NeCP_HjRa8lxu57vjvzRMjQrR1WaExkwsjtz0H17ZLncO9_F8v2RZ52D4o0vnUwWoQbCaUJk4b63ViU9TpxGuUq2NKpU12zIXTpWCZSbRnNscrbc0xgm8Q7hUWodoKRVDuk_gKWeI5KEyvfNzYfkljxP6YvcDrphqoqixVA91JyR5MpqgQ0vZ_zi4dG7vxGMjzHVewou5f0raM4F6BSuueg1rt7oWvoHe8UWI7oQTJbUn7YxMarKXkeMzREQSwS_mgZHziqB7SUIqCT0IGfHjKWmPRvWU9Gs6KOlQ099v4eRR2PcOVqu6cu-BoPeRCqMS4XLLrfUqt5kw3nHneZmlvgVJw6LCzDuWh8EZo2LZazlwtUCuFoGrBWvB18Uv41m7jocWbzR8L-aae1ks5awFnxafUedCIEVXrr7CNSJPmUTjhSS-Ned1i8R9G64_vOEWPOsO-72idzg4-gDPsyAsMXFmA1YnF1fuI7o_k3IzyhyBP48t5De30hH0 |
| linkToPdf | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwtV3dSxwxEB_0BNGH0tZKr7WaQvtiCe5HNokPIqfeoVWPQxR922bzgYVj96on5f61_nWd5HbvtFDffN5sApPfzG-SmcwAfGFMGO2YoKrQjDIlNJVIi9SxSEleaJuGq4vzPj--Yt9vspsF-NO8hfFplY1NDIbaVNrfke94jRYsE7vZjqvTIgZHvf3RL-o7SPlIa9NOYwqRUzv5jce3-72TI9zrr0nS614eHtO6wwDVSFxjKiLrjDEqcnFsFVJXrJSWhTR6V2TcyoKniY4UYyZDSy60thzPEzYWxiJzCpnivIuwJPypqAVLB93-4GLGA4KFfn2hFgKTqWxiquHhHmqST_lMaYTuLU2fsuLc1f0nOhtIr_caXtXeKulM4fUGFmz5FlYf1TBcg7PBnY_1-P0llSOdhIwrcpCQwS3yIwlUGLLCyM-SoLNJfGIJ7fr8-NGEdIbDakLOK9ov6KWi1-_g6kUEuA6tsirteyDoi8Rcy4jbzDBjnMxMwrWzzDpWJLFrQ9SIKNd1_XLfRmOYzysve6nmKNXcSzVP27A9-2U0Ld7x3OCNRu55rcf3-Rx1bfg8-4wa6MMqqrTVA47hWZwKNGU4xbdmvx5N8b8FPzy_4BYsI8Dzs5P-6UdYSTxWQhbNBrTGdw_2E_pC42KzBh2BHy-N879FFxeG |
| openUrl | ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Prediction+of+A2+to+B2+Phase+Transition+in+the+High-Entropy+Alloy+Mo-Nb-Ta-W&rft.jtitle=JOM+%281989%29&rft.au=Huhn%2C+William+Paul&rft.au=Widom%2C+Michael&rft.date=2013-12-01&rft.issn=1047-4838&rft.eissn=1543-1851&rft.volume=65&rft.issue=12&rft.spage=1772&rft.epage=1779&rft_id=info:doi/10.1007%2Fs11837-013-0772-3&rft.externalDBID=n%2Fa&rft.externalDocID=10_1007_s11837_013_0772_3 |
| thumbnail_l | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=1047-4838&client=summon |
| thumbnail_m | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=1047-4838&client=summon |
| thumbnail_s | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=1047-4838&client=summon |