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GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Cu__TE_603516505525_000

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Cu v000
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
Published on KIM 2019
How to Cite

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

[1] Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Cu v000. OpenKIM; 2019.

[2] Relaxed energy as a function of tilt angle for a symmetric tilt grain boundary within a cubic crystal v002. OpenKIM; 2019. doi:10.25950/4723cee7

[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_000
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_000
Citable Link https://openkim.org/cite/TE_603516505525_000
KIM Item TypeTest
DriverGrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_002
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.0
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


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 2042309
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 view 1879111
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 view 1980620
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Cu__MO_145873824897_000 view 3146315
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 4088220
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 view 8791229
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 6224112
EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 view 15265754
EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000 view 18183071
EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000 view 3178429
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 view 3147882
EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_000 view 4363581
EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 view 4927990
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 4052254
EAM_Dynamo_MendelevKing_2008_Cu__MO_748636486270_005 view 4689850
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 view 4616413
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 8305458
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 view 8291766
EAM_Dynamo_MendelevSunZhang_2019_CuZr__MO_609260676108_000 view 9244340
EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 view 4130171
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 6108316
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 5696828
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 4861445
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005 view 4477402
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 5876819
EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000 view 13892975
EAM_Dynamo_ZhouWadleyJohnson_2001_CuTa__MO_547744193826_000 view 5697517
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Cu__MO_759493141826_000 view 4466969
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_CuTa__MO_950828638160_000 view 5742194
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 15111618
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001 view 15744265
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 11024432
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001 view 8664907
MEAM_LAMMPS__MD_249792265679_000
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_000 view 31899204
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000 view 30885734
MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_000 view 13990926
MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_000 view 7404777
MEAM_LAMMPS_LeeShim_2004_NiCu__MO_409065472403_000 view 9559210
MEAM_LAMMPS_LeeWirthShim_2005_FeCu__MO_063626065437_000 view 9564107
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_000 view 35588483
MEAM_LAMMPS_Wagner_2007_Cu__MO_313717476091_000 view 4516627
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_694335101831_000 view 17105475
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_000 view 8541034
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_000 view 28110040
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_000 view 16777202
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_AsadiZaeemNouranian_2015_Cu__MO_390178379548_001 view 20541866
MEAM_LAMMPS_EtesamiAsadi_2018_Cu__MO_227887284491_001 view 30078723
MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_001 view 26073727
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 32470352
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_004 view 8980713
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_004 view 17921659
SNAP__MD_536750310735_000
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)
SNAP_LiHuChen_2018_Cu__MO_529419924683_000 view 144137613
SNAP_ZuoChenLi_2019quadratic_Cu__MO_265210066873_000 view 144627802
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 18217679
EAM_NN_Johnson_1988_Cu__MO_887933271505_002 view 1636209
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 view 8036333
Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 view 7483233
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000 view 87096178
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CuH__SM_404135993060_000 view 105618693
Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000 view 109895708
Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Cu__SM_239791545509_000 view 7123157
Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Cu__SM_316120381362_000 view 14720933
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view 24088885
Sim_LAMMPS_MEAM_Wagner_2007_Cu__SM_521856783904_000 view 3389154





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