Publications de Till Junge | EPFL Graph Search

An optimal preconditioned FFT-accelerated finite element solver for homogenization

We generalize and provide a linear algebra-based perspective on a finite element (FE) ho-mogenization scheme, pioneered by Schneider et al. (2017)[1] and Leuschner and Fritzen (2018)[2]. The efficiency of the scheme is based on a preconditioned, well-scale ...

ELSEVIER SCIENCE INC2023

Contact.engineering-Create, analyze and publish digital surface twins from topography measurements across many scales

Till Junge, Abhijeet Gujrati

The optimization of surface finish to improve performance, such as adhesion, friction, wear, fatigue life, or interfacial transport, occurs largely through trial and error, despite significant advancements in the relevant science. There are three central c ...

IOP Publishing Ltd2022

Elimination of ringing artifacts by finite-element projection in FFT-based homogenization

Till Junge, Ali Falsafi, Martin Ladecký

Micromechanical homogenization is often carried out with Fourier-accelerated methods that are prone to ringing artifacts. We here generalize the compatibility projection introduced by Vond.rejc et al. (2014) [24] beyond the Fourier basis. In particular, we ...

ACADEMIC PRESS INC ELSEVIER SCIENCE2022

Efficient implementation of atom-density representations

Till Junge, Félix Benedito Clément Musil, Michele Ceriotti, Michael John Willatt, Max David Veit, Alexander Jan Goscinski, Guillaume André Jean Fraux

Physically motivated and mathematically robust atom-centered representations of molecular structures are key to the success of modern atomistic machine learning. They lie at the foundation of a wide range of methods to predict the properties of both materi ...

2021

The emergence of small-scale self-affine surface roughness from deformation

Till Junge

Most natural and man-made surfaces appear to be rough on many length scales. There is presently no unifying theory of the origin of roughness or the self-affine nature of surface topography. One likely contributor to the formation of roughness is deformati ...

AMER ASSOC ADVANCEMENT SCIENCE2020

Atomistic-continuum coupling of random alloys

Till Junge, William Curtin, Shankha Nag

Random alloys are multicomponent systems where the atomic type on each lattice site is independent of the atom types on any other lattice site. The fluctuations in local atomic configurations inherent to the random alloy prevents the accurate application o ...

IOP PUBLISHING LTD2019

The Coupled Atomistic/Discrete-Dislocation method in 3d part I: Concept and algorithms

Till Junge, Jean-François Molinari, Guillaume Anciaux, William Curtin, Max Ludwig Hodapp

2018

Neural network potential for Al-Mg-Si alloys

Till Junge, William Curtin, Michele Ceriotti, Daniele Giofré

The 6000 series Al alloys, which include a few percent of Mg and Si, are important in automotive and aviation industries because of their low weight, as compared to steels, and the fact their strength can be greatly improved through engineered precipitatio ...

Amer Physical Soc2017

Ab initio Modelling of the Early Stages of Precipitation in Al-6000 Alloys

Till Junge, William Curtin, Michele Ceriotti, Daniele Giofré

Age hardening induced by the formation of (semi)-coherent precipitate phases is crucial for the processing and final properties of the widely used Al-6000 alloys. Early stages of precipitation are particularly important from the fundamental and technologic ...

Elsevier2017

Toward a 3D coupled atomistic and discrete dislocation dynamics simulation: dislocation core structures and Peierls stresses with several character angles in FCC aluminum

Till Junge, Jean-François Molinari, Guillaume Anciaux, Jaehyun Cho

We present a robust method to obtain the displacement field of a dislocation core, which is one of the building blocks for the development of a direct multiscale method coupling an atomistic domain to a discrete dislocation dynamics engine in 3D (e.g. CADD ...

2015

Dynamic stability of displacement-based atomistic/continuum coupling methods

Till Junge, Jean-François Molinari, Guillaume Anciaux

We show that concurrent atomistic/continuum displacement-coupling methods are inherently unstable in the context of fully dynamic problems at finite temperature. The fundamental origin of the instability is the displacement coupling of two material descrip ...

Elsevier2015

Modelling Plasticity in Nanoscale Contact

Till Junge

The problem of mechanical contact is a truly multiscale one. Atomistic effects that violate continuum theory dominate the deformations of contacting asperities, while the interactions between distant asperities occur through long-range elasticity. This the ...

EPFL2014

Plastic activity in nanoscratch molecular dynamics simulations of pure aluminium

Till Junge, Jean-François Molinari

Atomistic models for friction suffer from the severe length- and time-scale restrictions of molecular dynamics. In this paper, a novel approach to quantify the scratching work and the energy associated with plastic activity is used. The approach is combine ...

Pergamon-Elsevier Science Ltd2014

Molecular dynamics nano-scratching of aluminium: a novel quantitative energy-based analysis method

Till Junge, Jean-François Molinari

Atomistic models for friction suffer from the severe length- and time-scale restrictions of molecular dynamics. Even when they yield good qualitative results, it is difficult to draw meaningful quantitative conclusions from them. In this paper, a novel app ...

Elsevier Science Bv2012