Multiscale modelling of dislocation/grain boundary interactions. II. Screw dislocations impinging on tilt boundaries in Al
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Ferritic/martensitic steels considered as candidate first-wall materials for fusion reactors experience significant radiation hardening at temperatures below similar to400 degreesC. A number of experimental studies in ferritic alloys, performed at 1/2(111) ...
The phenomenon of nano-indentation into a thin film bonded to a rigid substrate is simulated using a recently developed technique whereby a fully atomistic region is coupled to a continuum region. There are three unique features of the model, as compared t ...
By using synchrotron radiation phase sensitive radiography we have examined the reactions of screw superdislocations or micropipes in silicon carbide single crystals: bundling, twisting, and splitting. To understand the nature of these reactions, a model o ...
Molecular statics simulations of crack growth in fully lamellar Ti-Al are performed to elucidate the role of lamellar structure in determining deformation and fracture toughness in nanoscale structures. The lamellar boundaries are highly effective in inhib ...
Ferritic/martensitic steels considered as first-wall candidate materials for fusion reactors experience significant radiation hardening at temperatures below similar to400 degreesC. Experimental evidence suggests that the observed defects are large interst ...
Pure Cu single crystals irradiated at room temperature to low doses with 590MeV protons have been deformed in situ in a transmission electron microscope in order to identify the basic mechanisms at the origin of hardening. Cu irradiated to 10(-4) dpa shows ...
A method is introduced for reducing the degrees of freedom in simulations of mechanical behavior of materials without sacrificing important physics. The method essentially combines the quasicontinuum (QC) method with continuum defect models such as the dis ...
The phenomenon of 2D nanoindentation of circular "Brinell" indenter into a single crystal metal thin film bonded to a rigid substrate is investigated. The simulation method is the coupled atomistics and discrete dislocation (CADD) model recently developed ...
The surface morphology of GaN(0001) grown on Si(111) by molecular beam epitaxy using ammonia has been studied by near-field microscopy techniques. Two distinct morphologies are observed, depending on the growth kinetics. When using Ga-rich growth condition ...
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 ...