An Atomistic Simulation Method for Oxygen Impurities in Aluminium Based on Variable Charge Molecular Dynamics
Graph Chatbot
Chattez avec Graph Search
Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.
AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.
Although inorganic thick-film materials are usually very stable, load sensors (i.e. force, torque and pressure) based on the piezoresistive effect of thick-film resistors often exhibit some drift, with major contributions stemming from a) temperature chang ...
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 ...
In this thesis we describe the results of simulations at the atomic level of a simple model of a metallic glass under cyclic shear deformation. We show that under oscillatory cyclic load, systems of Lennard-Jones particles exhibit a non-equilibrium transit ...
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 ...
Silicon nitride based ceramics (SiAlONs); tetragonal polycrystalline zirconia (3Y‐TZP); alumina and their composites reinforced with different amount of multi‐ walled carbon‐nanotubes (CNTs) have been processed by Spark Plasma Sintering (SPS). High tempera ...
The long-range correction to the surface tension can amount to up to 55% of the calculated value of the surface tension for cutoffs in the range of 2.1-6.4 sigma. The calculation of the long-range corrections to the surface tension and to the configuration ...
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 ...
The Materials Genome Approach (MGA) aims to accelerate development of new materials by incorporating computational and data-driven approaches to reduce the cost of identification of optimal structures for a given application. Here, we use the MGA to guide ...
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 ...
Aims: Here we report a one-step approach for reproducible synthesis of finely tuned targeting multifunctional hybrid nanoparticles (HNPs). Materials & methods: A microfluidic-assisted method was employed for controlled nanoprecipitation of bisphosphonate-c ...
