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GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Cu__TE_529988253259_001

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Cu v001
Description Compute grain boundary energy relation for a Cu 100 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] Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Cu v001. OpenKIM; 2022.

[2] 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_529988253259_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_fcc100_Cu__TE_529988253259_001
Citable Link https://openkim.org/cite/TE_529988253259_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_fcc100_Cu__TE_529988253259_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 3589780
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EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 view 10314032
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EAM_Dynamo_MendelevKing_2013_Cu__MO_748636486270_005 view 9670481
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 view 9539470
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 16832557
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EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 10992184
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 10135710
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EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Cu__MO_759493141826_000 view 6144151
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Measured in Millions of Whetstone Instructions (MWI)
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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 35583486
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MEAM_LAMMPS_EtesamiAsadi_2018_Cu__MO_227887284491_001 view 40496513
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001 view 37745398
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MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_001 view 35312276
MEAM_LAMMPS_KimLee_2008_CuZr__MO_407917731909_000 view 35248764
MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_001 view 10335058
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MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_001 view 21138721
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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 31746612
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_004 view 7318774
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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)
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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 21029663
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Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 view 14003724





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