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LinearThermalExpansionCoeff_bcc_Mo__TE_653330286461_002

Title
A single sentence description.
Linear thermal expansion coefficient of bcc Mo at 293.15 K under a pressure of 0 MPa v002
Description Linear thermal expansion coefficient of a bcc lattice of Mo atoms at a temperature of 293.15 K under a pressure of 0 MPa.
Species
The supported atomic species.
Mo
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Mingjian Wen
Maintainer Mingjian Wen
Developer Mingjian Wen
Brendon Waters
Published on KIM 2024
How to Cite

This Test is archived in OpenKIM [1-4].

[1] Wen M, Waters B. Linear thermal expansion coefficient of bcc Mo at 293.15 K under a pressure of 0 MPa v002 [Internet]. OpenKIM; 2024. Available from: https://openkim.org/cite/TE_653330286461_002

[2] Wen M, Waters B. Linear thermal expansion coefficient of cubic crystal structures v002. OpenKIM; 2024. doi:10.25950/9d9822ec

[3] 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

[4] 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_653330286461_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.
LinearThermalExpansionCoeff_bcc_Mo__TE_653330286461_002
Citable Link https://openkim.org/cite/TE_653330286461_002
KIM Item TypeTest
DriverLinearThermalExpansionCoeffCubic__TD_522633393614_002
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.3.0
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 LinearThermalExpansionCoeff_bcc_Mo__TE_653330286461_001


EAM_Dynamo__MD_120291908751_005
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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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_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_002 view 335121
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_JeongParkDo_2018_PdMo__MO_356501945107_002 view 2232394
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MEAM_LAMMPS_LeeBaskesKim_2001_Mo__MO_805823015127_001 view 1241448
MEAM_LAMMPS_ParkFellingerLenosky_2012_Mo__MO_269937397263_002 view 6597503
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_002 view 4902360
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Morse_Shifted__MD_552566534109_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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_004 view 1086267
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Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Mo__MO_534363225491_004 view 708036
SNAP__MD_536750310735_000
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)
SNAP_ChenDengTran_2017_Mo__MO_698578166685_000 view 16905770
SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_000 view 12900928
SNAP_LiHuChen_2018_NiMo__MO_468686727341_000 view 15582073
SNAP_ZuoChenLi_2019_Mo__MO_014123846623_000 view 10311640
SNAP_ZuoChenLi_2019quadratic_Mo__MO_692442138123_000 view 16771401
SW_MX2__MD_242389978788_001
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)
SW_MX2_KurniawanPetrieWilliams_2021_MoS__MO_677328661525_000 view 6725306
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Tersoff_LAMMPS__MD_077075034781_005
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)
Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001 view 12794051
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_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000 view 591762
Sim_LAMMPS_MEAM_ParkFellingerLenosky_2012_Mo__SM_769176993156_000 view 11261139
Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_000 view 14150396


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