Jump to: Models | Files | Wiki

GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Al__TE_918853243284_002

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Al v002
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_002
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_002
Citable Link https://openkim.org/cite/TE_918853243284_002
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
Previous Version GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Al__TE_918853243284_001


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 1566043
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 2788312
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 view 7820486
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000 view 3437700
EAM_Dynamo_JacobsenNorskovPuska_1987_Al__MO_411692133366_000 view 2109225
EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005 view 2070784
EAM_Dynamo_LiuAdams_1998_AlMg__MO_019873715786_000 view 3073657
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 2046316
EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 view 3601613
EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000 view 5337208
EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005 view 2686744
EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005 view 3079108
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005 view 3265735
EAM_Dynamo_MishinFarkasMehl_1999_Al__MO_651801486679_005 view 2543476
EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 view 2912876
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005 view 2673836
EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000 view 3171153
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 3362072
EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 view 2228244
EAM_Dynamo_SongMendelev_2021_AlSm__MO_722733117926_000 view 14065745
EAM_Dynamo_SturgeonLaird_2000_Al__MO_120808805541_005 view 2001297
EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005 view 1838574
EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005 view 3022465
EAM_Dynamo_Zhakhovsky_2009_Al__MO_519613893196_000 view 3150413
EAM_Dynamo_ZhouJohnsonWadley_2004_Al__MO_131650261510_005 view 2230781
EAM_Dynamo_ZhouWadleyJohnson_2001_Al__MO_049243498555_000 view 7492957
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Al__MO_060567868558_000 view 2229528
EAM_Dynamo_ZopeMishin_2003_Al__MO_664470114311_005 view 3095337
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005 view 3191297
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 5757926
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 5691101
EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 view 4012869
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 4245581
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 4274466
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_KimKimLee_2009_AlMg__MO_058537087384_000 view 13374435
MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_000 view 3515129
MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_000 view 10370069
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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_001 view 33899145
MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_001 view 17130036
MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_001 view 16267230
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001 view 24410567
MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_001 view 16800077
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_001 view 16853318
MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_001 view 17196753
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_001 view 23432428
MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_001 view 36569025
MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_001 view 16932717
MEAM_LAMMPS_LeeShimBaskes_2003_Al__MO_353977746962_000 view 25219391
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000 view 21879745
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_000 view 21644521
MEAM_LAMMPS_PascuetFernandez_2015_Al__MO_315820974149_001 view 15747303
MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_000 view 18821681
MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_001 view 23004382
MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_001 view 5892906
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_Al__MO_140175748626_004 view 19209450
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_004 view 6773711
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_004 view 11674380
Tersoff_LAMMPS__MD_077075034781_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)
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000 view 46368604
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000 view 49724575
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_003 view 2988491
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 view 3049064
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000 view 3469420
Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000 view 42185062
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000 view 8809245
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view 9550489
Sim_LAMMPS_MEAM_PascuetFernandez_2015_Al__SM_811588957187_000 view 6620977
Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_000 view 6692376





Wiki is ready to accept new content.

Login to edit Wiki content