Publication

Molecular dynamics modeling of cavity strengthening in irradiated iron

Publications associées (27)

Pore-pressure coefficients for unsaturated soils: generalized effective stress approach

Lyesse Laloui, Alessio Ferrari, Angelica Tuttolomondo

Geotechnical problems with total stress changes occurring rapidly relative to the soil consolidation time can be conveniently addressed using an effective stress-based approach. For saturated states, analytical formulations of pore-pressure coefficients ad ...

CANADIAN SCIENCE PUBLISHING2023

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

Fabio Pietrucci, Sara Bonella, David Daniel Girardier

Rare events include many of the most interesting transformation processes in condensed matter, from phase transitions to biomolecular conformational changes to chemical reactions. Access to the corresponding mechanisms, free-energy landscapes and kinetic r ...

Aip Publishing2023

Microstructure et usinabilité d'alliages de titane béta-métastable

Loïc Favre

Titanium has become in recent years an interesting material in many applications that require a combination of high mechanical properties and low density. It has the peculiarity of undergoing an allotropic transformation at 882°C. Below this temperature, ...

EPFL2023

Single-Well Pore Pressure Preconditioning for Enhanced Geothermal System Stimulation

Marie Estelle Solange Violay, Barnaby Padraig Fryer, Mathias Alexandre David Lebihain

The stress state is an important parameter in terms of both earthquake nucleation and rupture. Here, a new stimulation technique is proposed for Enhanced Geothermal Systems (EGSs), which have previously been burdened with a number of high-profile incidence ...

2023

Lattice Green's function method for Atomistic/Continuum coupling

Ankit Gupta

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 ...

EPFL2023

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

A fully-coupled highly-parallelized geomechanical simulator for assessing induced seismicity

Jean-François Molinari, Guillaume Anciaux, Nicolas Richart, Brice Tanguy Alphonse Lecampion, Emil Gallyamov

Induced seismicity caused by anthropogenic modification of the subsurface effective stress state has been observed in a number of industrial applications -- from hydrocarbon extraction (e.g., Groningen [1]), drilling waste-water disposal (e.g., [2]) to the ...

2023