Work done till date:
Indentation done for a 20x20x10 Cr (bcc) system with 3 layer Carbon indenter (tetragonal). 2-body Morse potentials used.
L-D Graph obtained but shows multiple maxima.
Porgrams run: (awaiting results)
30x30x20 system with a 10 layer indenter and complete L-D curve (including indenter retreival)
20x20x20 system for surface stability
Issues:
C-Cr potential still dubious.
Imploding surface (a theory which can solve this, but still some pain in tummy)
Indenter size is limited by segmentation error.
Universal Linked List should be applied for the system. Unfortunately SEGFAULT.
System size must be increased. Present system size is about 16 nm long. Conventional systems are 2x10^7 nm atleast. Parallelization critical.
Pending work:
Linked list to be extended to indenter as well. (done today)
Atomic data and initial conditions to be input from a file. (AP)
Program to be parallelized using SMP and threads. (AG)
Genuine Randomization of initial velocities. (AG)
Future Work:
Carbon potentials, Tetragonal shape & 2 body potential
Embedded Atom Method to applied for Chromium system. (AP)
(Requirements) Aquaguard installed outside lab. Graphics Card on one system.
Saturday, November 22, 2008
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