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Molecular dynamics is used to examine the deformation and failure of Al-Si interfaces and of nanocomposites consisting of Al and Si nanograins loaded in tension. The modified embedded atom method, is used to describe the forces and energies in the system a ...
We present an atomistic study of the plastic deformation mechanisms occurring in columnar structures of nanocrystalline Ni, with particular emphasis on the process of dislocation emission form the grain boundaries. The samples are constructed with grain bo ...
The effects of neutron irradiation on austenitic stainless steels, usually used for the manufacturing of internal elements of nuclear reactors (e.g. the core shrouds), are the alteration of the microchemistry and the microstructure, and, as a consequence, ...
The role of a simple surface defect, such as a step, for relaxing the stress applied to a semiconductor, has been investigated by means of large-scale first-principles calculations. Our results indicate that the step is the privileged site for initiating p ...
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 influence of plastic strains in the longitudinal reinforcement in presence of high shear forces in beams and slabs without stirrups was investigated performing a series of tests of eight ordinary reinforced concrete beams 8.4 meters long with 0.79% rei ...
A novel approach is adopted for determining the elastic and plastic strains of individual grains within a deformed polycrystalline aggregate. In this approach, termed "multisite modeling", the deformation of a grain does not merely depend on the grain latt ...
Molecular simulations using the quasicontinuum method are performed to understand the mechanical response at the nanoscale of grain boundaries (GBs) under simple shear. The energetics and mechanical strength of 18 Sigma (I 10) symmetric tilt GBs and two Si ...
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 ...
The present workshop dealt both theoretically and experimentally with issues of primary damage and irradiation induced defect evolution, helium and other impurities, dislocation-defect interactions, deformation to large plastic strains and fracture. It was ...
