Publication

Variational phase-field continuum model uncovers adhesive wear mechanisms in asperity junctions

Publications associées (29)

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

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

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

Exciton migration in two-dimensional materials

Excitons play an essential role in the optical response of two-dimensional materials. These are bound states showing up in the band gaps of many-body systems and are conceived as quasiparticles formed by an electron and a hole. By performing real-time simu ...

Nature Portfolio2024

Multiscale biomolecular simulations in the exascale era

Ursula Röthlisberger, Simone Meloni

The complexity of biological systems and processes, spanning molecular to macroscopic scales, necessitates the use of multiscale simulations to get a comprehensive understanding. lar dynamics (MD) simulations are crucial for capturing processes beyond the ...

Current Biology Ltd2024

Frictional weakening leads to unconventional singularities during dynamic rupture propagation

Marie Estelle Solange Violay, Federica Paglialunga, Mathias Alexandre David Lebihain, François Xavier Thibault Passelègue

Earthquakes i.e. frictional ruptures, are commonly described by singular solutions of shear crack motions. These solutions assume a square root singularity order around the rupture tip and a constant shear stress value behind it, implying scale-independent ...

2024

Thermal conductivity of Li 3 PS 4 solid electrolytes with ab initio accuracy

Michele Ceriotti, Federico Grasselli

The vast amount of computational studies on electrical conduction in solid-state electrolytes is not mirrored by comparable efforts addressing thermal conduction, which has been scarcely investigated despite its relevance to thermal management and (over)he ...

Amer Physical Soc2024

Multi-scale characterization and modeling of notched strength and translaminar fracture in hybrid thin-ply composites based on different carbon fiber grades

Guillaume Clément Broggi

Owing to their high specific stiffness and strength, Carbon Fiber Reinforced Composites (CFRP) are ideal candidates for the development of lightweight high-performance structures. Within this family, thin-ply composites allow for wider design freedom and p ...

EPFL2023

Influence of Fiber Orientation on the Elastic Limit Tensile Stress of UHPFRC

Eugen Brühwiler, Emmanuel Denarié, Jian Zhan

The elastic limit tensile stress of UHPFRC is governed by contributions of the cementitious matrix and the fibrous skeleton. This paper finds that fiber orientation has significant influence on the matrix tensile strength of UHPFRC, while this is not consi ...

2023

Drained Clay-Pipe Interface Resistance at Low Normal Stresses and Elevated Temperatures

Roba Houhou

Offshore pipelines that transport hydrocarbons under high pressure and high temperature are usually thermally insulated to maintain an elevated temperature and prevent any heat loss to the surroundings. However, the temperatures at the outer-wall of the pi ...

AMER SOC CIVIL ENGINEERS2023