The role of atomistic simulations in probing hydrogen effects on plasticity and embrittlement in metals
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
The presence of elemental hydrogen is known to accelerate fatigue crack growth in aluminum alloys. However, a direct link between experimental data and the governing atomistic mechanisms has remained elusive. Here we present a series of computational studi ...
We present simulations for a design of a high-energy single-stage mid-IR difference frequency generation adapted to a two-color Ti:sapphire amplifier system. The optimized mixing process is based on chirped pulse difference frequency generation (CP-DFG), a ...
Atomistic simulations of the effects of H on edge dislocation mobility and pile-ups are performed to investigate possible nanoscale mechanisms for hydrogen-enhanced localized plasticity (HELP). alpha-Fe is used as a model system because H diffusion is fast ...
Ab initio molecular dynamics (MD) simulations of the solvation of LiI3 in four different solvents (water, methanol, ethanol, and acetonitrile) are employed to investigate the molecular and electronic structure of the I-3(-) ion in relation to X-ray photoel ...
To study the influence of aqueous solvent on the electronic energy levels of dissolved organic molecules, we conducted liquid microjet photoelectron spectroscopy (PES) measurements of the aqueous vertical ionization energies (VIEaq) of aniline (7.49 eV), v ...
The influence of secondary phase particles on grain growth (Zener pinning) is simulated in two dimensions using a level set method. Several simulations with circular particles are performed to study the influence of particle surface fraction and distributi ...
Atomistic models for friction suffer from the severe length- and time-scale restrictions of molecular dynamics. In this paper, a novel approach to quantify the scratching work and the energy associated with plastic activity is used. The approach is combine ...
Deformation and fracture processes in engineering materials often require simultaneous descriptions over a range of length and time scales, with each scale using a different computational technique. Here we present a high-performance parallel 3D computing ...
This work investigates the dislocation nucleation processes that occur at the tip of a crack in aluminum under a broad range of crystallographic orientations and temperatures. A concurrent multiscale molecular dynamics - continuum simulation framework is e ...
The performance of a novel microfluidic impedance cytometer [1] for single-cell analysis is investigated in-silico by means of a finite element model. The main feature of the device is the ability to probe impedance of flowing cells along two orthogonal di ...
