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A literature review of studies investigating the topography of nano-indents in ion-implanted materials reveals seemingly inconsistent observations, with report of both pile-up and sink-in. This may be due to the crystallographic orientation…
The mechanical properties and long-term structural reliability of crystalline materials are strongly influenced by microstructural features such as grain size, morphology, and crystallographic texture. These characteristics not only…
We report measurements of the diffusion of atomic hydrogen in single crystalline VO2 micro/nanobeams by direct exposure to atomic hydrogen, without catalyst. The atomic hydrogen is generated by a hot filament, and the doping process takes…
The influence of pressure on finite-nuclear-size corrections to atomic energy levels and electron-capture decay rate is investigated in confined hydrogenlike ions. The ions are modeled inside an impenetrable spherical cavity, with a…
Hydrogen intercalation in solids is common, complicated, and very difficult to monitor. In a new approach to the problem, we have studied the profile of hydrogen diffusion in single-crystal nanobeams and plates of VO2, exploiting the fact…
We review how phase-field models contributed to the understanding of various aspects of crystal nucleation including homogeneous and heterogeneous processes, and their role in microstructure evolution. We recall results obtained both by the…
Alloying metals with other elements is often done to improve the material strength or hardness. A key microscopic mechanism is precipitation hardening, where precipitates impede dislocation motion, but the role of such obstacles in…
A continuum field theory approach is presented for modeling elastic and plastic deformation, free surfaces and multiple crystal orientations in non-equilibrium processing phenomena. Many basic properties of the model are calculated…
Crystal structures can be viewed as assemblies of space-filling polyhedra, which play a critical role in determining material properties such as ionic conductivity and dielectric constant. However, most conventional crystal structure…
The influence of grain size on the flow stress of various FCC polycrystals (Cu, Al, Ag and Ni) has been analyzed by means of computational homogenization of a representative volume element of the microstructure using a FFT approach in…
Using computer simulations we investigate the homogeneous crystal nucleation in suspensions of colloidal hard dumbbells. The free energy barriers are determined by Monte Carlo simulations using the umbrella sampling technique. We calculate…
We report results of computer simulations of two-dimensional hard disks confined within a quasi one-dimensional ``hard-wall'' channel, a few atomic radii wide. Starting from a commensurate triangular solid a rescaling of the system size…
We investigate the influence of microstructural traps in hydrogen-assisted fatigue crack growth. To this end, a new formulation combining multi-trap stress-assisted diffusion, mechanism-based strain gradient plasticity and a hydrogen- and…
Onset of vacuum arcing near a metal surface is often associated with nanoscale asperities, which may dynamically appear due to different processes ongoing in the surface and subsurface layers in the presence of high electric fields.…
Uniform and multi-dispersed grain packs have been frequently used to conceptually study flow in porous media. Numerical simulations were previously used to address the effect of particle shape on characteristics, such as pore space fractal…
The critical dynamics of dislocation avalanches in plastic flow is examined using a phase field crystal (PFC) model. In the model, dislocations are naturally created, without any \textit{ad hoc} creation rules, by applying a shearing force…
A numerical model of 2D finite element in a steady-state level was developed for the electromagnetic field, heat distribution, and thermal stress expansion in an oxide Czochralski crystal growth system. The extended model was employed to…
A systematic study on the different roles of the governing components of a well-defined finite-deformation gradient crystal-plasticity model proposed by (Gurtin, 2008b) is carried out, in order to visualize the capability of the model in…
The energy differences between the face-centered cubic (FCC) and hexagonal closed packed (HCP) structures of the argon (Ar) crystal are studied using the first-principles electronic-structure approach at the level of random phase…
Effects of three-point direct correlation on properties of the phase field crystal (PFC) modeling are examined, for the control of various ordered and disordered phases and their coexistence in both three-dimensional and two-dimensional…