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

Related publications (39)

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

Marie Estelle Solange Violay, Gabriel Gérard Dominique Meyer, Francesco Lazari

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 ...

2025

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

Eugen Brühwiler, Alain Nussbaumer, Jian Zhan

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 ...

2025

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

Mohammad Mobasheri

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 ...

2025

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

Shelly Ben David, Anna Fontcuberta i Morral, Alok Rudra, Victor Carle Adrien Boureau, Santhanu Panikar Ramanandan

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 ...

WILEY-V C H VERLAG GMBH2025

Modeling friction and wear using an adaptive discrete-continuum coupling

Manon Eugénie Voisin--Leprince

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 ...

EPFL2024

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

Umut Altuntas

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 ...

American Society of Mechanical Engineers (ASME)2025

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

Claudia Cancellieri, Pandula Manura Liyanage

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 ...

Elsevier2024

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

Ksenia Briling

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 ...

EPFL2024

Multi-scale and multi-energy non-destructive X-ray analysis of the European Retrievable Carrier (EURECA)

Grégoire Gabriel Germain Bourban, Volker Gass, Tobias Bandi

The reduction in costs for space travel and scientific experiments in microgravity raises the question of equipment reusability. This goal can only be achieved if the space travel associated system degradations are fully understood. Non-destructive analysi ...

2025

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

Roland Logé

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 ...

MDPI2024

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

Roya Moghaddasi Fereidani

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 ...

EPFL2024

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

Tatiana Pieloni, Nicolas Frank Mounet, Christophe Emmanuel R. Lannoy

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, ...

Iop Publishing Ltd2024

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

Achille Mauri

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 ...

Amer Physical Soc2024

Garment Recovery with Shape and Deformation Priors

Pascal Fua, Benoît Alain René Guillard, Ren Li, Corentin Camille Marius Dumery

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 ...

2024

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

Laurent Villard, Stephan Brunner, Alberto Bottino, Moahan Murugappan

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 ...

Elsevier2024

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

Jaime Gómez Ramírez, Joao Pedro Gonçalves Ramos

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 ...

Springer Heidelberg2024

Thermal transport of glasses via machine learning driven simulations

Federico Grasselli, Paolo Pegolo

Accessing the thermal transport properties of glasses is a major issue for the design of production strategies of glass industry, as well as for the plethora of applications and devices where glasses are employed. From the computational standpoint, the che ...

Frontiers Media Sa2024

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

Alfredo Pasquarello, Stefano Falletta

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 ...

Aip Publishing2024

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

William Curtin, Xin Liu, Binglun Yin

Prismatic slip in magnesium at temperatures T

PERGAMON-ELSEVIER SCIENCE LTD2023

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Justin Villard

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 ...

EPFL2023