Parallel algorithm for multiscale atomistic/continuum simulations using LAMMPS
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The OpenFOAM Fuel BEhavior Analysis Tool, or OFFBEAT, is a multi-dimensional fuel performance code under collaborative development at the Laboratory for Reactor Physics and Systems Behaviour (LRS) of the EPFL and at the PSI. The code can be used both for s ...
The industrial applications of Mg, the lightest structural metal, and abundant in Earth's crust, are hampered by its low intrinsic ductility and low fracture toughness at room temperature which is attributed to the underlying less symmetric and plastically ...
Understanding how things break and slide is of paramount importance to describe the dynamics of a broad range of physical systems. This includes day-to-day problems such as the breaking of a glass of wine or the sliding of skis on snow, but also engineerin ...
The proper computation of the time evolution of the fracture front is the main challenge of three-dimensional (3D) hydraulic fracture growth simulation. We discuss explicit and implicit variants of a hydraulic fracture propagation scheme based on a level s ...
The introduction of a well-controlled population of coherent twin boundaries (CTBs) is an attractive route to improve the strength ductility product in face centered cubic (FCC) metals. However, the elementary mechanisms controlling the interaction between ...
Atomistic simulations are a powerful complement to experimental probes for understanding the nanoscale processes associated with the effects of hydrogen (H) on plasticity and fracture that are the underlying causes of hydrogen embrittlement (HE). Current e ...
Large scale 3D atomistic simulations are performed to study the interaction between a curved dislocation with a dominant screw character and a Coherent Twin Boundary (CTB). Three FCC metals (Al, Cu and Ni) are addressed using 6 embedded-atom method (EAM) p ...
The mechanical strength of metals depends on their resistance against various microscopic
deformation processes. In ductile metals, the most important process is shearing of the crystal
lattice by dislocations. One of the fundamental aspects of dislocation ...
During the last decades, as usages of Nano- and Micro-Electro-Mechanical Systems (MEMS and NEMS) increase significantly, it becomes necessary to understand performances (e.g. strength and ductility) of small-scaled materials. In such small scales, dislocat ...
The detrimental effects of the H on the mechanical properties of the metals are known for more than a century. One of the most important degradation mechanisms is H embrittlement (HE). In this thesis, we examined a few famous proposed mechanisms in the fie ...