Multiscale modeling of crowdion and vacancy defects in body-centered-cubic transition metals
Related publications (82)
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.
Two-dimensional (2D) transition metal dichalcogenides (TMDs) exist in two polymorphs, referred to as 1T and 1H, depending on the coordination sphere of the transition metal atom. The broken octahedral and trigonal prismatic symmetries lead to different cry ...
This is the first account of the history of our understanding of, and ability to model, solidification microstructures. Its objective is to retrace the scientific steps made, from the earliest observations of the eighteenth century to our present-day under ...
Improving the quality factor (Q) of electromechanical resonators is of paramount importance for different applications, ranging from RF filtering to sensing. In this paper, we present a modified fabrication process flow for contour mode resonators to simul ...
Formation energies of C, Si, and Ge defects in beta-Ga2O3 are studied through hybrid functional calculations. The interstitial defects of these elements generally occur at higher energies than their substitutional counterparts, but are more stable at low F ...
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 ...
A hypervelocity (6.7–7.0 km/s) impact testing campaign was conducted using Ø 2 mm, 95% Al projectiles onto A357 aluminium alloy stochastic foams with 4–5 mm typical pore dimensions, or alternatively diamond cubic periodic structures of cast AlSi12 with a 6 ...
Beyond the second row of the periodic table, the nature of the multiple bonds between the elements of the main groups remains yet elusive, and "non-classical" bonding schemes are often invoked for their description. Here, focusing on group 14, we have perf ...
Recently published discoveries of acoustic- and optical-mode inversion in the phonon spectrum of certain metals became the first realistic example of noninteracting topological bosonic excitations in existing materials. However, the observable physical and ...
Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes it possible to im ...
We investigate the thermodynamics and kinetics of a hydrogen interstitial in magnetic α-iron, taking account of the quantum fluctuations of the proton as well as the anharmonicities of lattice vibrations and hydrogen hopping. We show that the diffusivity o ...