Vikram Gavini's blog

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Journal Club Theme of Sept. 15 2008: Defects in Solids---Where Mechanics Meets Quantum Mechanics

Defects in solids have been studied by the mechanics community for over five decades, some of the earliest works on this topic dating back to Eshelby. Yet, they still remain interesting, challenging, and often spring surprises—one example being the observed hardening behavior in surface dominated structures (as discussed in past journal club themes by Wei Cai and Julia Greer). In this journal theme, I wish to concentrate on the underlying physics behind defect behavior and motivate the need to combine quantum mechanical and mechanics descriptions of materials behavior. Through this discussion, I hope to bring forth: (i) The need to bridge mechanics with quantum mechanics; (ii) The challenges in quantum mechanical calculations; (iii) How the mechanics community can have a great impact.


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Brief overview of electronic structure calculations

I am attaching a brief overview of electronic structure theories (ab-initio theories) with emphasis on the various approximations that form a basis for these theories. It also contains references that provide a comprehensive introduction to the field.


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Symposium on "Multiscale Modeling of Defects in Solids" - SES 2008

A symposium on "Multiscale Modeling of Defects in Solids" is being organized at the 2008 SES conference in Champaign, Illinois (Oct 12-Oct 15). The conference website is: http://ses2008.mechse.uiuc.edu/index.php . To submit abstracts to this symposium please use the abstract submission form and select the symposium title. The abstract submission deadline is June 2, 2008. Below is the description and scope of the symposium (which can also be found at http://ses2008.mechse.uiuc.edu/content/call_for_abstracts/symposium.php?... ):


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Symposium on "Defects in materials: Theory and Applications" at 2008 ASME conference

A symposium on "Defects in materials: Theory and Applications" is being organized at the 2008 ASME conference in Boston (Oct 31-Nov6). To submitt abstracts to this symposium choose Track 12-4 (Track 12, topic 4). The abstract submission deadline is March 3, 2008. Below is the description and scope of the symposium:


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Quasi-continuum orbital-free density-functional theory : A route to multi-million atom electronic structure (DFT) calculation

I would like to share the research work I have been pursuing over the past four years. I believe, through this forum, I will be able to reach researchers with various backgrounds and expertise. Suggestions and comments from members will be very useful. I am also attaching links to preprints of manuscripts describing this work. Please follow these links:


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