Jump to: Models | Files | Wiki

StackingFaultFccCrystal_0bar_Pb__TE_224024938466_002

Title
A single sentence description.
Stacking and twinning fault energies for fcc Pb 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 Pb at zero temperature and pressure.
Species
The supported atomic species.
Pb
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor SubrahmanyamPattamatta
Maintainer SubrahmanyamPattamatta
Author Subrahmanyam Pattamatta
Publication Year 2019
Item Citation

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 Pb v002. OpenKIM; 2019.

[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.
Short KIM ID
The unique KIM identifier code.
TE_224024938466_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_Pb__TE_224024938466_002
Citable Link https://openkim.org/cite/TE_224024938466_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_Pb__TE_224024938466_001


Models

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_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 view 3760819
EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005 view 6565454
EAM_Dynamo_ZhouJohnsonWadley_2004_Pb__MO_116920074573_005 view 550915
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Pb__MO_988703794028_000 view 539399
Morse_Shifted__MD_552566534109_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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Pb__MO_370271093517_002 view 21925165
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Pb__MO_534638645497_002 view 6802493
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Pb__MO_958424213898_002 view 12157260





Download Dependency

This Test requires a Test Driver. Archives for the Test Driver StackingFaultFccCrystal__TD_228501831190_002 appear below.


StackingFaultFccCrystal__TD_228501831190_002.txz Tar+XZ Linux and OS X archive
StackingFaultFccCrystal__TD_228501831190_002.zip Zip Windows archive

Wiki

Wiki is ready to accept new content.

Login to edit Wiki content