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EAM_Dynamo_Hale_Wong_pairHybrid_PdAgH__MO_104806802344_000

Title
A single sentence description.
EAM potential for Pd-Ag-H ternary alloy system
Description
A short description of the Model describing its key features including for example: type of model (pair potential, 3-body potential, EAM, etc.), modeled species (Ac, Ag, ..., Zr), intended purpose, origin, and so on.
EAM alloy potential developed to accurately reproduce properties of the Pd-Ag-H alloy system.
Species
The supported atomic species.
Ag, H, Pd
Disclaimer
A short statement of applicability which will accompany any results computed using it. A developer can use the disclaimer to inform users of the intended use of this KIM Item.
Potential developed for the Pd-Ag-H system, where Ag is substitutional for Pd, and H is interstitial. Application of this potential to pure H, or other Pd-Ag-H compounds is not recommended.
Contributor Ryan
Maintainer Ryan
Author Ryan S. Elliott
Publication Year 2014
Source Citations
A citation to primary published work(s) that describe this KIM Item. Multiple source citations should be separated by blank lines.
LM Hale, BM Wong, JA Zimmerman and XW Zhou, "Atomistic potentials for palladium-silver hydrides", Modell. Simul. Mater. Sci. Eng. 21, 045005 (2013). XW Zhou, JA Zimmerman, BM Wong and JJ Hoyt, "An embedded-atom method interatomic potential for Pd-H alloys", J. Mater. Res. 23, 704 (2008).
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
MO_104806802344_000
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.
EAM_Dynamo_Hale_Wong_pairHybrid_PdAgH__MO_104806802344_000
KIM Item Type
Specifies whether this is a Stand-alone Model (software implementation of an interatomic model); Parameterized Model (parameter file to be read in by a Model Driver); Model Driver (software implementation of an interatomic model that reads in parameters).
Parameterized Model using Model Driver EAM_Dynamo__MD_120291908751_000
DriverEAM_Dynamo__MD_120291908751_000
EAM Dynamo Hale Wong pairHybrid PdAgH MO_104806802344_000

Visualizers (in-page)


BCC Lattice Constant

This bar chart plot shows the mono-atomic body-centered cubic (bcc) lattice constant predicted by the current model (shown in the unique color) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

(No matching species)

Click on any thumbnail to get a full size image.



Cohesive Energy Graph

This graph shows the cohesive energy versus volume-per-atom for the current mode for four mono-atomic cubic phases (body-centered cubic (bcc), face-centered cubic (fcc), simple cubic (sc), and diamond). The curve with the lowest minimum is the ground state of the crystal if stable. (The crystal structure is enforced in these calculations, so the phase may not be stable.) Graphs are generated for each species supported by the model.

(No matching species)

Click on any thumbnail to get a full size image.



Diamond Lattice Constant

This bar chart plot shows the mono-atomic face-centered diamond lattice constant predicted by the current model (shown in the unique color) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

(No matching species)

Click on any thumbnail to get a full size image.



FCC Lattice Constant

This bar chart plot shows the mono-atomic face-centered cubic (fcc) lattice constant predicted by the current model (shown in red) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

(No matching species)

Click on any thumbnail to get a full size image.



SC Lattice Constant

This bar chart plot shows the mono-atomic simple cubic (sc) lattice constant predicted by the current model (shown in the unique color) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

(No matching species)

Click on any thumbnail to get a full size image.



Cubic Crystal Basic Properties Table

Species: Ag

Species: H

Species: Pd



Tests

  • No Tests associated with this Model
  • Tests are paired to Models through Test Results



Errors

  • No Errors associated with this Model


Download Dependency

This Model requires a Model Driver. Archives for the Model Driver EAM_Dynamo__MD_120291908751_000 appear below.


EAM_Dynamo__MD_120291908751_000.txz Tar+XZ Linux and OS X archive
EAM_Dynamo__MD_120291908751_000.zip Zip Windows archive

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