Coupling quantum and continuum scales to predict crack tip dislocation nucleation
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A method is developed to model continuum (finite element) and discrete [kinetic Monte Carlo (kMC)] diffusion occurring simultaneously in connected regions of space. The two regions are coupled across ail interface using ail iterative domain-decomposition a ...
The adiabatic approximation is used to describe the electron states of weakly-one-dimensional quantum wires. A clear order is evidenced in the longitudinal optical (LO) phonon mediated transition rates with respect to the quantum numbers of the confined st ...
The electron states of weakly-one-dimensional quantum wires are computed using the adiabatic approximation in the framework of the k . p theory and the envelope-function approximation. The computed transition rates of electrons from one confined state to a ...
A computational method (CADD) is presented whereby a continuum region containing dislocation defects is coupled to a fully atomistic region. The model is related to previous hybrid models in which continuum finite elements are coupled to a fully atomistic ...
Pre-stress bonded composite patch is a promising technique to reinforce steel member damaged by fatigue. ifhe effectiveness of this technique was verified by fatigue tests on notched steel plates. Results showed that the application of carbon fibre reinfor ...
This paper presents the results of a large-scale atomistic simulation study of the process of emission of multiple dislocations in Al. We use embedded-atom method potentials based on ab-initio data and molecular statics and dynamics techniques to study the ...