Jump to: Models | Files | Wiki

StackingFaultFccCrystal_Pd_0bar__TE_032672243268_001

Title
A single sentence description.
Stacking and twinning fault energies for fcc Pd
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
Contributor SubrahmanyamPattamatta
Maintainer SubrahmanyamPattamatta
Author Subrahmanyam Pattamatta
Publication Year 2018
Source Citations
A citation to primary published work(s) that describe this KIM Item.

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

Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_032672243268_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.
StackingFaultFccCrystal_Pd_0bar__TE_032672243268_001
Citable Link https://openkim.org/cite/TE_032672243268_001
KIM Item TypeTest
DriverStackingFaultFccCrystal__TD_228501831190_001
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_Pd_0bar__TE_032672243268_000


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_AdamsFoilesWolfer_1989Universal6_Pd__MO_169076431435_000 view 5615485
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pd__MO_786012902615_000 view 5831513
EAM_Dynamo_HaleWongZimmerman_2008PairHybrid_PdAgH__MO_104806802344_005 view 15774879
EAM_Dynamo_HaleWongZimmerman_2008PairMorse_PdAgH__MO_108983864770_005 view 15769328
EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 view 12129060
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Pd__MO_993644691224_000 view 524205
EAM_Dynamo_ZhouZimmermanWong_2008_PdH__MO_114797992931_000 view 2800700
EAM_IMD__MD_113599595631_003
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_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 view 12554732
EMT_Asap__MD_128315414717_004
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)
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 11389084
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Pd__MO_066802556726_001 view 9552282





Download Dependency

This Test requires a Test Driver. Archives for the Test Driver StackingFaultFccCrystal__TD_228501831190_001 appear below.


StackingFaultFccCrystal__TD_228501831190_001.txz Tar+XZ Linux and OS X archive
StackingFaultFccCrystal__TD_228501831190_001.zip Zip Windows archive

Wiki

Wiki is ready to accept new content.

Login to edit Wiki content