Jump to: Models | Files | Wiki

VacancyFormationMigration_hcp_Ti__TE_626277981382_000

Title
A single sentence description.
Vacancy formation and migration energy for hcp Ti
Description
Species
The supported atomic species.
Ti
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Junhao Li
Maintainer Daniel S. Karls
Published on KIM 2018
How to Cite

This Test originally published in [1] is archived in OpenKIM [2-5].

[1] Jónsson H, Mills G, Jacobsen KW. Nudged elastic band method for finding minimum energy paths of transitions. In: Classical and quantum dynamics in condensed phase simulations. 1998. p. 385–404. doi:10.1142/9789812839664_0016

[2] Vacancy formation and migration energy for hcp Ti. OpenKIM; 2018.

[3] Vacancy formation and migration energies for cubic and hcp monoatomic crystals. OpenKIM; 2018.

[4] 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

[5] 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_626277981382_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.
VacancyFormationMigration_hcp_Ti__TE_626277981382_000
Citable Link https://openkim.org/cite/TE_626277981382_000
KIM Item TypeTest
DriverVacancyFormationMigration__TD_554849987965_000
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version1.9.0
Simulator Name
The name of the simulator as defined in kimspec.edn. This Simulator Name is inhereted from the Test Driver.
ase
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python


EAM_Dynamo__MD_120291908751_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_Dynamo_Zhou_Johnson_Ti__MO_723456820410_003 view 574583
EAM_Dynamo__MD_120291908751_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)
EAM_Dynamo_Ackland_Ti__MO_748534961139_004 view 280221
EAM_Dynamo_Zope_Mishin_TiAl__MO_117656786760_004 view 415128
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)
MSMEAM_Gibson_Ti__MO_309653492217_000 view 73236637


LennardJones612__MD_414112407348_002
Model Error Categories Link to Error page
LennardJones612_UniversalShifted__MO_959249795837_002 other view

MEAM_2NN__MD_111291751625_001
Model Error Categories Link to Error page
MEAM_2NN_Fe_to_Ga__MO_145522277939_001 mismatch view

MEAM_LAMMPS__MD_249792265679_000
Model Error Categories Link to Error page
MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_000 mismatch view
MEAM_LAMMPS_HennigLenoskyTrinkle_2008_Ti__MO_520569947398_000 mismatch view
MEAM_LAMMPS_HuangLiuDuan_2021_HfNbTaTiZr__MO_893505888031_000 mismatch view
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_000 mismatch view
MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_000 mismatch view
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_000 mismatch view
MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_000 mismatch view
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_000 mismatch view
MEAM_LAMMPS_KimLee_2008_TiC__MO_134206624109_000 mismatch view
MEAM_LAMMPS_KimLee_2008_TiN__MO_070542625990_000 mismatch view
MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_000 mismatch view
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_000 mismatch view
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_000 mismatch view
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_000 mismatch view
MEAM_LAMMPS_OhSeolLee_2020_CoTi__MO_862371677648_000 mismatch view
MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_000 mismatch view
MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_000 mismatch view
MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_000 mismatch view

No Driver




This Test requires a Test Driver. Archives for the Test Driver VacancyFormationMigration__TD_554849987965_000 appear below.


VacancyFormationMigration__TD_554849987965_000.txz Tar+XZ Linux and OS X archive
VacancyFormationMigration__TD_554849987965_000.zip Zip Windows archive
Wiki is ready to accept new content.

Login to edit Wiki content