Modeling Uncertainty

From EVOCD
(Difference between revisions)
Jump to: navigation, search
Line 3: Line 3:
  
 
==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.
 +
 
 +
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===
 
===Step 1===

Revision as of 10:15, 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.

Step 2

References

Personal tools
Namespaces

Variants
Actions
home
Materials
Material Models
Design
Resources
Projects
Education
Toolbox