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GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Cu__TE_288691353820_000

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Cu v000
Description Compute grain boundary energy relation for a Cu 112 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 112 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_288691353820_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_fcc112_Cu__TE_288691353820_000
Citable Link https://openkim.org/cite/TE_288691353820_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 muliplied 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 9035948
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 view 8358781
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 view 8494127
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Cu__MO_145873824897_000 view 12455461
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 16391543
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 view 36237594
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 24426622
EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000 view 68802994
EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000 view 12693913
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 view 12595318
EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_000 view 14481017
EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 view 19392142
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 16201307
EAM_Dynamo_MendelevKing_2008_Cu__MO_748636486270_005 view 19811306
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 view 19838814
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 35040819
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 view 35002941
EAM_Dynamo_MendelevSunZhang_2019_CuZr__MO_609260676108_000 view 35700469
EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 view 16674954
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 23511097
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 22310344
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 19511541
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005 view 17765238
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 22619665
EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000 view 56258278
EAM_Dynamo_ZhouWadleyJohnson_2001_CuTa__MO_547744193826_000 view 22229418
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Cu__MO_759493141826_000 view 17807251
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_CuTa__MO_950828638160_000 view 22180951
EMT_Asap__MD_128315414717_004
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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 62014383
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001 view 65237018
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 45925112
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001 view 35996416
MEAM_LAMMPS__MD_249792265679_000
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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 128095575
MEAM_LAMMPS_AsadiZaeemNouranian_2015_Cu__MO_390178379548_000 view 39342583
MEAM_LAMMPS_EtesamiAsadi_2018_Cu__MO_227887284491_000 view 77251121
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000 view 123369134
MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_000 view 61093789
MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_000 view 75748116
MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_000 view 36860667
MEAM_LAMMPS_LeeShim_2004_NiCu__MO_409065472403_000 view 40727477
MEAM_LAMMPS_LeeWirthShim_2005_FeCu__MO_063626065437_000 view 41707051
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_000 view 121599929
MEAM_LAMMPS_Wagner_2007_Cu__MO_313717476091_000 view 18734646
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_694335101831_000 view 75133426
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_000 view 37308094
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_000 view 125941331
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_000 view 74241100
Morse_Shifted__MD_552566534109_004
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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 128141030
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_004 view 35853260
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_004 view 62119042
SNAP__MD_536750310735_000
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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 507629651
SNAP_ZuoChenLi_2019quadratic_Cu__MO_265210066873_000 view 643537719
No Driver
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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 65675099
EAM_NN_Johnson_1988_Cu__MO_887933271505_002 view 6755124
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 view 34061036
Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 view 31742083
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000 view 323549328
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CuH__SM_404135993060_000 view 413962851
Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000 view 428574223
Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Cu__SM_239791545509_000 view 32287789
Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Cu__SM_316120381362_000 view 64943706
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view 103976970
Sim_LAMMPS_MEAM_Wagner_2007_Cu__SM_521856783904_000 view 14530948





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