#### EAM_Dynamo_Bonny_Pasianot_FeCuNi__MO_469343973171_002

Interatomic potential for Copper (Cu), Iron (Fe), Nickel (Ni).

Title A single sentence description. FeCuNi potential to model reactor pressure vessel steels Ternary FeCuNi EAM-type potential. The fitting was focussed on solute-point defect interaction in the bcc Fe matrix. With respect to thermodynamics the following was accounted for: experimentally observed intermetallic compounds in the FeNi alloys, the Cu solubility in the FeCu binary and the CuNi miscibility gap. The potential is designed to model radiation damage in the FeCuNi model alloy which represents reactor pressure vessel steels. FeNi cross potential is taken from [Bonny et. al., Modelling Simul. Mater. Sci. Eng. 17 (2009) 025010]. FeCu cross potential is taken from [Pasianot and Malerba, J. Nucl. Mater. 360 (2007) 118]. Fe potential is taken from [Mendelev et al., Philos. Mag. 83 (2003) 3977]. Ni potential is taken from [Voter and Chen, Mater. Res. Soc. Symp. Proc. 82 (1987) 175]. Cu potential is taken from [Mishin et al., Phys. Rev. B 63 (2001) 224106]. Cu, Fe, Ni The potential is stiffened. Giovanni Bonny Giovanni Bonny 2016 Click here to download this citation in BibTeX format. Not available MO_469343973171_002 EAM_Dynamo_Bonny_Pasianot_FeCuNi__MO_469343973171_002 https://openkim.org/cite/MO_469343973171_002 Portable Model using Model Driver EAM_Dynamo__MD_120291908751_002 EAM_Dynamo__MD_120291908751_002 1.6 EAM_Dynamo_Bonny_Pasianot_FeCuNi__MO_469343973171_001

### 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)

#### 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)

#### 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)

#### FCC Elastic Constants

This bar chart plot shows the mono-atomic face-centered cubic (fcc) elastic constants predicted by the current model (shown in blue) 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)

#### 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)

#### FCC Stacking Fault Energies

This bar chart plot shows the intrinsic and extrinsic stacking fault energies as well as the unstable stacking and unstable twinning energies for face-centered cubic (fcc) predicted by the current model (shown in blue) 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)

#### FCC Surface Energies

This bar chart plot shows the mono-atomic face-centered cubic (fcc) relaxed surface energies predicted by the current model (shown in blue) 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)

#### 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)

Species: Cu

Species: Fe

Species: Ni

### Tests

##### Disclaimer From Model Developer

The potential is stiffened.

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

### Errors

• No Errors associated with this Model

### Files

 EAM_Dynamo_Bonny_Pasianot_FeCuNi__MO_469343973171_002.txz Tar+XZ Linux and OS X archive EAM_Dynamo_Bonny_Pasianot_FeCuNi__MO_469343973171_002.zip Zip Windows archive

This Model requires a Model Driver. Archives for the Model Driver EAM_Dynamo__MD_120291908751_002 appear below.

 EAM_Dynamo__MD_120291908751_002.txz Tar+XZ Linux and OS X archive EAM_Dynamo__MD_120291908751_002.zip Zip Windows archive