Plastic activity in nanoscratch molecular dynamics simulations of pure aluminum
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Rare events include many of the most interesting transformation processes in condensed matter, from phase transitions to biomolecular conformational changes to chemical reactions. Access to the corresponding mechanisms, free-energy landscapes and kinetic r ...
Friction and wear occur at every interface between solid materials.In the design of mechanical devices, it is desirable to be able to quantify and control the amount of friction and wear, as well as predict their evolution with time. ``Tribology'' is the s ...
Realistic models of cellular environments have long captured the imagination of biologists and physical scientists. More than 20 years ago, Goodshellâs inspiring rendering of cellular environments provided the foundation for the idea of capturing the ful ...
When will the weight of all fish in the ocean equal the weight of plastic discards in the ocean? These plastic discards in the water impacts birds and sea life around the world. Just as the canary in the coal mine forewarns of danger, the Laysan or Pacific ...
Paul Scherrer Institute, World Resources Forum2019
Tribology properties emerge from a variety of mechanisms occurring along the sliding surfaces, at dif- ferent length scales and time scales. Engineering friction and wear laws are mostly empirical, fitted against experimental results and thus only valid on ...
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 ...
All surfaces, whether they are natural or man-made, exhibit a certain amount of roughness on a range of length scales. This surface roughness evidently plays a major role in tribological processes, like friction and wear between two surfaces sliding agains ...
Over the last two decades, many technological and scientific discoveries, ranging from the development of materials for energy conversion and storage through the design of new drugs, have been accelerated by the use of preliminary in silico experiments, to ...
Molecular dynamics is a versatile and powerful method to study diffusion in solid-state ionic conductors, requiring minimal prior knowledge of equilibrium or transition states of the system's free energy surface. However, the analysis of trajectories for r ...
The use of molecular dynamics (MD) simulations has led to promising results to unravel the atomistic origins of adhesive wear, and in particular for the onset of wear at nanoscale surface asperities. However, MD simulations come with a high computational c ...