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GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Al__TE_918853243284_001

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Al v001
Description Compute grain boundary energy relation for a Al 100 STGB
Species
The supported atomic species.
Al
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 Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_918853243284_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_Al__TE_918853243284_001
Citable Link https://openkim.org/cite/TE_918853243284_001
KIM Item TypeTest
DriverGrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_001
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
Previous Version GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Al__TE_918853243284_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_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 view 61367570
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 21465579
EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005 view 57721975
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000 view 98080705
EAM_Dynamo_JacobsenNorskovPuska_1987_Al__MO_411692133366_000 view 77819192
EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005 view 62843958
EAM_Dynamo_LiuAdams_1998_AlMg__MO_019873715786_000 view 94400787
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 62577426
EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 view 118427213
EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000 view 164504232
EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005 view 92271119
EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005 view 96094604
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005 view 96529910
EAM_Dynamo_MishinFarkasMehl_1999_Al__MO_651801486679_005 view 75696626
EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 view 76271661
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005 view 76237816
EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000 view 93225895
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 93209420
EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 view 103666784
EAM_Dynamo_SturgeonLaird_2000_Al__MO_120808805541_005 view 62793159
EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005 view 66857650
EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005 view 89008273
EAM_Dynamo_Zhakhovsky_2009_Al__MO_519613893196_000 view 102947064
EAM_Dynamo_ZhouJohnsonWadley_2004_Al__MO_131650261510_005 view 10784004
EAM_Dynamo_ZhouWadleyJohnson_2001_Al__MO_049243498555_000 view 288203456
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Al__MO_060567868558_000 view 10910520
EAM_Dynamo_ZopeMishin_2003_Al__MO_664470114311_005 view 95946143
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005 view 95345230
EAM_IMD__MD_113599595631_003
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_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 view 169606222
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 153315760
EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 view 161645503
EAM_QuinticClampedSpline__MD_532469991695_003
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_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_002 view 64298626
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_Standard_JacobsenStoltzeNorskov_1996_Al__MO_623376124862_001 view 35310610
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 28972309
Morse_Shifted__MD_552566534109_003
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_Al__MO_140175748626_003 view 368795705
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_003 view 150184772
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_003 view 211161534
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_ErcolessiAdams_1994_Al__MO_324507536345_002 view 87060847
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 view 99084424
Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000 view 1133736608
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000 view 378233969
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view 374273315
Sim_LAMMPS_MEAM_PascuetFernandez_2015_Al__SM_811588957187_000 view 267941623
Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_000 view 268568960





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