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

Submitted by Vikram Gavini on

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:

http://www-personal.umich.edu/~vikramg/academic/Preprints/QC-OFDFT.pdf

Multi-Axial Failure Models for Fiber-Reinforced Composites

Submitted by Ashkan Vaziri on

The increasing use of fiber-reinforced composites accentuates the need for developing multi-axial fatigue failure models for these materials. In this article (attached), we proposed several multiaxial fatigue failure models for fiber-reinforced composites considering the contribution of mean and cyclic normal stress/strain and shear stress/strain at the plane of failure and examined their capability for predicting the fatigue life of the E-glass/epoxy composite materials.

Lecture 9 Interfacial fracture

Submitted by Zhigang Suo on
  • Williams singularity
  • Energy release rate
  • Mode angle
  • Stress oscillation
  • Small scale contact
  • Example 1:  A small crack on the interface
  • Example 2:  Thin film debonding
  • Interfacial fracture energy
  • Four-point bend specimen
  • Double-cantilever beam
  • The use of the interfacial fracture energy

Computational or Analytical?

Submitted by Roozbeh Sanaei on

Computational or Analytical? 

Once you can describe a problem analytically, you should be able to solve the problem straightforward. Moreover, bookkeeping of the related variables is rather easy, enabling you to model your problem in an rather easy fashion. (During my undergraduate courses, I used to check my assignents by Excel). However, implementing such a strategy in software involves a certain amount of problem directed programming - i.e. your code may be valid for a given problem only.

Which phenomenological flow stress model is the best?

Submitted by Biswajit Banerjee on

A couple of years ago a colleague who wanted to simulate high-speed machining asked me: " Which is the best phenomenological flow stress model for metals?" I wasn't able to give an answer right away and decided to look in the literature.

What I found was, every ten years or so, a new model appears in the literature that tries to solve some of the problems of older models. However, a clear ranking of models has not been established yet.