# Modeling Uncertainty

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==Objective== | ==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). On this page, the central finite difference approximation is used as an example to help users to understand how to model the uncertainty of the response of your system with respect to certain variables. |

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+ | In this example, the "response" of our system will be the dislocation velocity determined from LAMMPS. Additionally, "variables" can be inputs that contribute to the response of your system. In this example, these variables will be will be the MEAM parameters that are used to input into LAMMPS. | ||

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+ | ==Theory== | ||

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===Step 1=== | ===Step 1=== |

## Revision as of 09:15, 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). On this page, the central finite difference approximation is used as an example to help users to understand how to model the uncertainty of the response of your system with respect to certain variables.

In this example, the "response" of our system will be the dislocation velocity determined from LAMMPS. Additionally, "variables" can be inputs that contribute to the response of your system. In this example, these variables will be will be the MEAM parameters that are used to input into LAMMPS.

## Theory

### 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.