Jump to: Models | Files | Wiki

GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Cu__TE_603516505525_001

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Cu v001
Description Compute grain boundary energy relation for a Cu 111 STGB
Species
The supported atomic species.
Cu
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Brandon Runnels
Maintainer Brandon Runnels
Developer Brandon Runnels
Daniel S. Karls
Brendon Waters
Published on KIM 2022
How to Cite

This Test is archived in OpenKIM [1-4].

[1] Runnels B, Karls DS, Waters B. Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Cu v001 [Internet]. OpenKIM; 2022. Available from: https://openkim.org/cite/TE_603516505525_001

[2] Runnels B, Karls DS, Waters B. Relaxed energy as a function of tilt angle for a symmetric tilt grain boundary within a cubic crystal v003. OpenKIM; 2022. doi:10.25950/2c59c9d6

[3] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[4] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_603516505525_001
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Cu__TE_603516505525_001
Citable Link https://openkim.org/cite/TE_603516505525_001
KIM Item TypeTest
DriverGrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_003
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.2
Simulator Name
The name of the simulator as defined in kimspec.edn. This Simulator Name is inhereted from the Test Driver.
LAMMPS
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python
Previous Version GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Cu__TE_603516505525_000


EAM_Dynamo__MD_120291908751_005
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
EAM_Dynamo_AcklandTichyVitek_1987_Cu__MO_179025990738_005 view 5920635
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 view 5288288
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 view 5107719
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 16265165
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 view 31538896
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 24882079
EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 view 12553871
EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000 view 22011241
EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000 view 16028844
EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_000 view 9352821
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 9669730
EAM_Dynamo_MendelevKing_2013_Cu__MO_748636486270_005 view 10486157
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 view 10156348
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 30237059
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 view 30189425
EAM_Dynamo_MendelevSunZhang_2019_CuZr__MO_609260676108_000 view 18318672
EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 view 16434865
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 24394673
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 13422425
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 20303065
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005 view 11943207
EAM_Dynamo_ZhouJohnsonWadley_2004_CuTa__MO_547744193826_000 view 24742980
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Cu__MO_759493141826_000 view 11858288
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 25194940
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuTa__MO_950828638160_000 view 14085615
EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000 view 55081829
EMT_Asap__MD_128315414717_004
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
EMT_Asap_MetalGlass_BaileySchiotzJacobsen_2004_CuMg__MO_228059236215_001 view 46660295
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001 view 47263542
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 21415896
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001 view 16439495
MEAM_LAMMPS__MD_249792265679_001
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
MEAM_LAMMPS_EtesamiAsadi_2018_Cu__MO_227887284491_001 view 66556499
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_001 view 119584230
MEAM_LAMMPS__MD_249792265679_002
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_002 view 67384070
MEAM_LAMMPS_AsadiZaeemNouranian_2015_Cu__MO_390178379548_002 view 15170226
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002 view 65691580
MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_002 view 24563915
MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_002 view 30582856
MEAM_LAMMPS_KimLee_2008_CuZr__MO_407917731909_001 view 30680804
MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_002 view 12857572
MEAM_LAMMPS_LeeShim_2004_NiCu__MO_409065472403_002 view 15963479
MEAM_LAMMPS_LeeShimBaskes_2003_Cu__MO_087820130586_001 view 16021703
MEAM_LAMMPS_LeeWirthShim_2005_FeCu__MO_063626065437_002 view 16082523
MEAM_LAMMPS_Wagner_2007_Cu__MO_313717476091_002 view 9177284
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_694335101831_002 view 30301235
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_002 view 14619357
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_002 view 52725636
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_002 view 30344530
Morse_Shifted__MD_552566534109_004
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_004 view 66041847
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_004 view 18713638
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_004 view 30582727
No Driver
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
EAM_Mendelev_2019_CuZr__MO_945018740343_000 view 37872518
EAM_NN_Johnson_1988_Cu__MO_887933271505_003 view 2906549
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 view 18200086
Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 view 16926262





Wiki is ready to accept new content.

Login to edit Wiki content