Jump to: Models | Files | Wiki

GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Al__TE_202986963854_000

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Al v000
Description Compute grain boundary energy relation for a Al 110 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

This Test is archived in OpenKIM [1-4].

[1] Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Al 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_202986963854_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_fcc110_Al__TE_202986963854_000
Citable Link https://openkim.org/cite/TE_202986963854_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_CubicNaturalSpline__MD_853402641673_002
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_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_002 view 5373001
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_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 view 4253580
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 8689657
EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005 view 5379737
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000 view 10255343
EAM_Dynamo_JacobsenNorskovPuska_1987_Al__MO_411692133366_000 view 7231841
EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005 view 5707919
EAM_Dynamo_LiuAdams_1998_AlMg__MO_019873715786_000 view 8388012
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 5599392
EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 view 9373497
EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000 view 13658157
EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005 view 7052132
EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005 view 7575970
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005 view 8164567
EAM_Dynamo_MishinFarkasMehl_1999_Al__MO_651801486679_005 view 6841093
EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 view 7917467
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005 view 7153673
EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000 view 8559513
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 9050830
EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 view 9179721
EAM_Dynamo_SturgeonLaird_2000_Al__MO_120808805541_005 view 5892170
EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005 view 5117380
EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005 view 7842714
EAM_Dynamo_Zhakhovsky_2009_Al__MO_519613893196_000 view 9100425
EAM_Dynamo_ZhouJohnsonWadley_2004_Al__MO_131650261510_005 view 6046502
EAM_Dynamo_ZhouWadleyJohnson_2001_Al__MO_049243498555_000 view 20565513
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Al__MO_060567868558_000 view 6033625
EAM_Dynamo_ZopeMishin_2003_Al__MO_664470114311_005 view 7728735
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005 view 8013086
EAM_IMD__MD_113599595631_003
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_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 view 16124674
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 15838098
EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 view 15310282
EAM_QuinticClampedSpline__MD_532469991695_003
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_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_002 view 5837719
EAM_QuinticHermiteSpline__MD_029719603993_003
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_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_002 view 5904483
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_Standard_JacobsenStoltzeNorskov_1996_Al__MO_623376124862_001 view 14497206
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 15174028
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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_000 view 38995673
MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_000 view 28348032
MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_000 view 28919824
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000 view 44121746
MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_000 view 28480042
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_000 view 27861624
MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_000 view 28939504
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_000 view 38322385
MEAM_LAMMPS_KimKimLee_2009_AlMg__MO_058537087384_000 view 38130450
MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_000 view 58339071
MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_000 view 29152856
MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_000 view 9645196
MEAM_LAMMPS_PascuetFernandez_2015_Al__MO_315820974149_000 view 26540414
MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_000 view 25291259
MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_000 view 40108427
MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_000 view 11618561
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_Al__MO_140175748626_004 view 75083898
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_004 view 25617938
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_004 view 37898157
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_ErcolessiAdams_1994_Al__MO_324507536345_003 view 8476149
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 view 8519974
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000 view 8377150
Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000 view 129792702
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000 view 28431724
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view 33097169
Sim_LAMMPS_MEAM_PascuetFernandez_2015_Al__SM_811588957187_000 view 20271011
Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_000 view 19997500





Wiki is ready to accept new content.

Login to edit Wiki content