Robust atomistic calculation of dislocation line tension
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Microstructural analysis and mechanical testing have been performed on two types of nanocrystalline (NC) Ni samples and compared to coarse-grained (CG) Ni. The NC electrodeposited (ED) Ni is characterized by a mean grain size of 21 nm, a narrow grain size ...
Irradiation is known to lead to a degradation of the mechanical properties of materials. This is particularly crucial in the case of materials that will be used in the future thermonuclear fusion reactor, where extremely high irradiation doses are expected ...
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 ...
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 ...
Submonolayer films of AE on Pt(111) exhibit parallel partial dislocations separated by narrow hcp domains and much wider fcc domains, the large difference in width being atypical of strained metal overlayers on close-packed substrates. Using a two-dimensio ...
We report a quantitative atomic scale study of nucleation kinetics on an inhomogeneous substrate. Our model system, Al/Au(111)-(root 3 x 22), reveals a distinct nucleation transition due to the repulsive nature of surface dislocations. Whereas for T < 200 ...