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StackingFaultFccCrystal_0bar_Pd__TE_032672243268_002

Title
A single sentence description.
Stacking and twinning fault energies for fcc Pd v002
Description Intrinsic and extrinsic stacking fault energies, unstable stacking fault energy, unstable twinning energy, stacking fault energy as a function of fractional displacement, and gamma surface for fcc Pd at zero temperature and pressure.
Species
The supported atomic species.
Pd
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Subrahmanyam Pattamatta
Maintainer Subrahmanyam Pattamatta
Published on KIM 2019
How to Cite

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

[1] Bernstein N, Tadmor EB. Tight-binding calculations of stacking energies and twinnability in fcc metals. Physical Review B. 2004Mar;69(9):094116. doi:10.1103/PhysRevB.69.094116

[2] Pattamatta S. Stacking and twinning fault energies for fcc Pd v002 [Internet]. OpenKIM; 2019. Available from: https://openkim.org/cite/TE_032672243268_002

[3] Pattamatta S. Stacking and twinning fault energies of an fcc lattice at zero temperature and pressure v002. OpenKIM; 2019. doi:10.25950/b4cfaf9a

[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_032672243268_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.
StackingFaultFccCrystal_0bar_Pd__TE_032672243268_002
Citable Link https://openkim.org/cite/TE_032672243268_002
KIM Item TypeTest
DriverStackingFaultFccCrystal__TD_228501831190_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 StackingFaultFccCrystal_0bar_Pd__TE_032672243268_001


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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)
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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_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 view 12500725
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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)
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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_JeongLee_2020_PdC__MO_068985622065_002 view 20792859
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MEAM_LAMMPS_JeongParkDo_2018_PdCo__MO_101997554790_002 view 19408565
MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_002 view 21391541
MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_002 view 21238631
MEAM_LAMMPS_JeongParkDo_2018_PdMo__MO_356501945107_002 view 21222434
MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_002 view 21151759
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_002 view 19702360
MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_002 view 59745465
MEAM_LAMMPS_LeeShimBaskes_2003_Pd__MO_307252285625_001 view 19402557
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)
Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000 view 31004527





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