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StackingFaultFccCrystal_0bar_Rh__TE_430384787984_002

Title
A single sentence description.
Stacking and twinning fault energies for fcc Rh 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 Rh at zero temperature and pressure.
Species
The supported atomic species.
Rh
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 Rh v002 [Internet]. OpenKIM; 2019. Available from: https://openkim.org/cite/TE_430384787984_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_430384787984_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_Rh__TE_430384787984_002
Citable Link https://openkim.org/cite/TE_430384787984_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_Rh__TE_430384787984_001


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_WangXuQian_2021_AuRh__SM_066295357485_000 view 20055313
Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_000 view 20761100





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