Jump to: Models | Files | Wiki

GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Al__TE_202986963854_001

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Al v001
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
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 Al v001 [Internet]. OpenKIM; 2022. Available from: https://openkim.org/cite/TE_202986963854_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_202986963854_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_Al__TE_202986963854_001
Citable Link https://openkim.org/cite/TE_202986963854_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_Al__TE_202986963854_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 11830528
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 33097834
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 view 16608965
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000 view 22580692
EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005 view 13700376
EAM_Dynamo_LiuAdams_1998_AlMg__MO_019873715786_000 view 19639193
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 33719829
EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 view 22873861
EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000 view 76754491
EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005 view 45248171
EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005 view 18942724
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005 view 32036514
EAM_Dynamo_MishinFarkasMehl_1999_Al__MO_651801486679_005 view 15779548
EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 view 47963958
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005 view 16199687
EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000 view 19644514
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 20308091
EAM_Dynamo_SongMendelev_2021_AlSm__MO_722733117926_000 view 50959471
EAM_Dynamo_SturgeonLaird_2000_Al__MO_120808805541_005 view 22046463
EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005 view 13355449
EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005 view 19674620
EAM_Dynamo_Zhakhovsky_2009_Al__MO_519613893196_000 view 33844318
EAM_Dynamo_ZhouJohnsonWadley_2004_Al__MO_131650261510_005 view 27689853
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 view 43942530
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Al__MO_060567868558_000 view 27756458
EAM_Dynamo_ZhouWadleyJohnson_2001_Al__MO_049243498555_000 view 77875073
EAM_Dynamo_ZopeMishin_2003_Al__MO_664470114311_005 view 19284021
EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005 view 32434914
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 32711519
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 25934344
EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 view 71306442
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 24268578
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 25299222
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 138596156
MEAM_LAMMPS_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_001 view 220649196
MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_001 view 103165243
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001 view 155838593
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_001 view 147948781
MEAM_LAMMPS_KimKimLee_2009_AlMg__MO_058537087384_001 view 147175313
MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_001 view 215781697
MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_001 view 147731187
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_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_002 view 66393121
MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_002 view 67519644
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002 view 67568579
MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_002 view 69186872
MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_002 view 68538075
MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_002 view 20158294
MEAM_LAMMPS_LeeShimBaskes_2003_Al__MO_353977746962_001 view 66466582
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_001 view 51014854
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_001 view 56603283
MEAM_LAMMPS_PascuetFernandez_2015_Al__MO_315820974149_002 view 69880298
MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_002 view 70219924
MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001 view 72451617
MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_002 view 26895774
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 136356668
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_004 view 36321370
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_004 view 81039615
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 257506844
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000 view 257366813
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 31240160
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 view 32678971
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000 view 29419200


EAM_CubicNaturalSpline__MD_853402641673_002
Model Error Categories Link to Error page
EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_002 other view

EAM_Dynamo__MD_120291908751_005

EAM_QuinticClampedSpline__MD_532469991695_003
Model Error Categories Link to Error page
EAM_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_002 other view

EAM_QuinticHermiteSpline__MD_029719603993_003
Model Error Categories Link to Error page
EAM_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_002 other view

LJ__MD_414112407348_003
Model Error Categories Link to Error page
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 other view

MEAM_LAMMPS__MD_249792265679_002




Wiki is ready to accept new content.

Login to edit Wiki content