Jump to: Models | Files | Wiki

GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Cu__TE_708214008908_001

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Cu v001
Description Compute grain boundary energy relation for a Cu 110 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 110 symmetric tilt grain boundary in fcc Cu v001 [Internet]. OpenKIM; 2022. Available from: https://openkim.org/cite/TE_708214008908_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_708214008908_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_fcc110_Cu__TE_708214008908_001
Citable Link https://openkim.org/cite/TE_708214008908_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_fcc110_Cu__TE_708214008908_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 10809810
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 view 16627449
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 view 16648918
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 17287898
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 view 60488170
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 27208198
EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 view 36150225
EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000 view 37055114
EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000 view 27719761
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 28530188
EAM_Dynamo_MendelevKing_2013_Cu__MO_748636486270_005 view 19733033
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 view 32235546
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 35204683
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 view 56557017
EAM_Dynamo_MendelevSunZhang_2019_CuZr__MO_609260676108_000 view 34947161
EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 view 28064772
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 23923114
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 37760040
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 33572307
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005 view 32863132
EAM_Dynamo_ZhouJohnsonWadley_2004_CuTa__MO_547744193826_000 view 39051589
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Cu__MO_759493141826_000 view 19899032
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 24093151
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuTa__MO_950828638160_000 view 23660410
EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000 view 93466100
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 77964377
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001 view 80104051
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 59342056
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001 view 27982176
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_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001 view 244597724
MEAM_LAMMPS_EtesamiAsadi_2018_Cu__MO_227887284491_001 view 146676129
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001 view 185534835
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_001 view 216149273
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_001 view 224246392
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_AsadiZaeemNouranian_2015_Cu__MO_390178379548_002 view 32414173
MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_002 view 49150337
MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_002 view 62188797
MEAM_LAMMPS_KimLee_2008_CuZr__MO_407917731909_001 view 63220794
MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_002 view 27786180
MEAM_LAMMPS_LeeShim_2004_NiCu__MO_409065472403_002 view 31603345
MEAM_LAMMPS_LeeShimBaskes_2003_Cu__MO_087820130586_001 view 31680994
MEAM_LAMMPS_LeeWirthShim_2005_FeCu__MO_063626065437_002 view 31864398
MEAM_LAMMPS_Wagner_2007_Cu__MO_313717476091_002 view 19276283
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_694335101831_002 view 60697126
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_002 view 28187959
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_002 view 60690681
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 167743270
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_004 view 28443909
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_004 view 99795333
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 1176527356
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 126406385
EAM_NN_Johnson_1988_Cu__MO_887933271505_003 view 6238788
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 view 69227373
Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 view 28678257





Wiki is ready to accept new content.

Login to edit Wiki content