Programming tips for ParaDiS

Revision as of 11:57, 5 June 2008

This page is intended to developers of the ParaDiS code. We share a few programming tips we discover in ParaDiS.

The Peach-Koehler force at a given node of a dislocation coming from the stress of a dislocation segment $σ$ is given by $F = (\sigma \cdot b) \times \xi$

The way these forces are implemented in ParaDiS is the following (follow ComputeSegSigbRem in NodeForce.c). Consider two neighboring nodes Node 1 and Node 2 where we want to compute the force. Suppose these nodes have coordinates $x 1$ and $x 2$ respectively.

1. $\sigma \cdot b$ is computed for the pair Node 1 and Node 2. Each node gets the same $\sigma \cdot b_1$ , where here $b 1$ is the Burgers vector of Node 1. Note that nodes are ordered in ParaDiS and only the pair (Node 1, Node 2) is considered and not (Node 2, Node 1) in this case. 2. This dot product is then use to calculate the Peach-Koehler force. Node 1 gets the force $F_1 = \frac{1}{2} \sigma \cdot b_1 \times (x_2 - x_1)$ and Node 2 gets the force $F_2 = \frac{1}{2} \sigma \cdot b_1 \times (x_2 - x_1)$ .