Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential

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.

In geological reservoirs, pore fluid chemistry can affect rock strength by inducing mineral dissolution, precipitation, and alteration, among other processes. Increasing pressure and temperature can shift deformation from localized to ductile, decreasing p ...

To explore the governing mechanism underlying the tensile fatigue behavior of Ultra-high Performance Fiber Reinforced Cementitious Composites (UHPFRC), this study tested eight specimens using four advanced non-destructive measurement techniques. First, mag ...

The evolution of microstructure and mechanical properties of AISI 904L stainless steel subjected to high-pressure torsion (HPT) and post-deformation annealing was investigated. A nanocrystalline microstructure with an average grain size of 48 nm was obtain ...

Germanium (Ge) nanowires hold great promise as building blocks for hole spin-based quantum processors. Realizing this potential requires their direct integration onto silicon (Si) wafers. This work introduces V-groove-confined selective epitaxy to enable t ...

When two objects slide against each other, wear and friction occur at their interface. The accumulation of wear forms what is commonly referred to as a ``third-body''. Understanding third-body evolution has significant applications in industry, where contr ...

This study employs a Cohesive Zone Model to quantitatively evaluate the evolution of interfacial fracture parameters across various interface architectures. Employing the Material Extrusion (ME) type 3D printing method, sutural interfaces characterized by ...

Interface stress is a fundamental descriptor for interphase boundaries and is defined in strict relation to the interface energy. In nanomultilayers with their intrinsically high interface density, the functional properties are dictated by the interface st ...

Statistical (machine-learning, ML) models are more and more often used in computational chemistry as a substitute to more expensive ab initio and parametrizable methods. While the ML algorithms are capable of learning physical laws implicitly from data, ad ...

The microstructure evolution associated with the cold forming sequence of an Fe-14Cr-1W-0.3Ti-0.3Y2O3 grade ferritic stainless steel strengthened by dispersion of nano oxides (ODS) was investigated. The material, initially hot extruded at 1100 degrees C an ...

Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...

The Schottky monitors of the Large Hadron Collider (LHC) can be used for non-invasive beam diagnostics to estimate various bunch characteristics, such as tune, chromaticity, bunch profile or synchrotron frequency distribution. However, collective effects, ...

We study the statistical mechanics and the equilibrium dynamics of a system of classical Heisenberg spins with frustrated interactions on a d -dimensional simple hypercubic lattice, in the limit of infinite dimensionality d -> infinity . In the analysis we ...

While modeling people wearing tight-fitting clothing has made great strides in recent years, loose-fitting clothing remains a challenge. We propose a method that delivers realistic garment models from real-world images, regardless of garment shape or defor ...

We introduce and derive the Fourier -enhanced 3D electrostatic field solver of the gyrokinetic full -f PIC code PICLS. The solver makes use of a Fourier representation in one periodic direction of the domain to make the solving of the system easily paralle ...

We prove a sharp quantitative version of the Faber–Krahn inequality for the short-time Fourier transform (STFT). To do so, we consider a deficit which measures by how much the STFT of a function fails to be optimally concentrated on an arbitrary set of pos ...

Through the use of the piecewise-linearity condition of the total energy, we correct the self-interaction for the study of polarons by constructing nonempirical functionals at the semilocal level of theory. We consider two functionals, the gamma DFT and mu ...

Prismatic slip in magnesium at temperatures T

Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

Mo-Ti alloys form solid solutions over a wide range of compositions, with lattice misfit parameters increasing significantly with titanium content. This indicates a strong increase in the critical stress for edge dislocation motion. Here, we probe the tran ...

Metal plasticity is an inherently multiscale phenomenon due to the complex long-range field of atomistic dislocations that are the primary mechanism for plastic deformation in metals. Atomistic/Continuum (A/C) coupling methods are computationally efficient ...

Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential

Chat with Graph Search

Fluid Chemistry Effect on Localized and Ductile Deformation of a Porous Sandstone

Deciphering tensile fatigue behavior of UHPFRC using magnetoscopy, DIC and acoustic emission

Achieving strength-ductility synergy in AISI 904L superaustenitic alloy through severe plastic deformation and post-deformation annealing

Gate-Tunable Hole Transport in In-Plane Ge Nanowires by V-Groove Confined Selective Epitaxy

Modeling friction and wear using an adaptive discrete-continuum coupling

QUANTIFICATION OF COHESIVE PROPERTIES IN BIOINSPIRED INTERFACES OF 3D-PRINTED HETEROGENEOUS MATERIALS

Experimental and ab initio derivation of interface stress in nanomultilayered coatings: Application to immiscible Cu/W system with variable in-plane stress

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Dislocation Hardening in a New Manufacturing Route of Ferritic Oxide Dispersion-Strengthened Fe-14Cr Cladding Tube

High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature

Impact of beam-coupling impedance on the Schottky spectrum of bunched beam

Frustrated magnets in the limit of infinite dimensions: Dynamics and disorder-free glass transition

Garment Recovery with Shape and Deformation Priors

Verification of the Fourier-enhanced 3D finite element Poisson solver of the gyrokinetic full-f code PICLS

Stability of the Faber-Krahn inequality for the short-time Fourier transform

Nonempirical semilocal density functionals for correcting the self-interaction of polaronic states

A low-temperature prismatic slip instability in Mg understood using machine learning potentials

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

The influence of lattice misfit on screw and edge dislocation-controlled solid solution strengthening in Mo-Ti alloys

Lattice Green's function method for Atomistic/Continuum coupling