Modeling Uncertainty

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==Uncertainty==
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=Uncertainty=
 
This topic has been taken by Student 1 for 2017 Contribution
 
This topic has been taken by Student 1 for 2017 Contribution
  
===Objective===
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==Objective==
 
This page will provide information on how to model uncertainty using the MEAM parameter calibration (MPC) tool and Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS).
 
This page will provide information on how to model uncertainty using the MEAM parameter calibration (MPC) tool and Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS).
  
 
===Step 1===
 
===Step 1===
 
Calibrate your MEAM potential with respect to Density Functional Theory. This requires the use of elastic constants from experiments or literature to calibrate your material to DFT.  
 
Calibrate your MEAM potential with respect to Density Functional Theory. This requires the use of elastic constants from experiments or literature to calibrate your material to DFT.  
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===Step 2===
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==References==
 
==References==
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[[Category:Uncertainty]]
 
[[Category:Uncertainty]]
 
[[Category:MEAM]]
 
[[Category:MEAM]]
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[[Category:LAMMPS]]

Revision as of 10:08, 1 April 2017

Contents

Uncertainty

This topic has been taken by Student 1 for 2017 Contribution

Objective

This page will provide information on how to model uncertainty using the MEAM parameter calibration (MPC) tool and Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS).

Step 1

Calibrate your MEAM potential with respect to Density Functional Theory. This requires the use of elastic constants from experiments or literature to calibrate your material to DFT.

Step 2

References

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