507 citations · 1.9k across the 44 of their papers we have counts for
48 papers
Universal energy barrier for plastic flow in a network glass
Ibrahim Ghanem, Richard Jana, Wolfram G. Nöhring +2
Shear transformations are the elementary events of plasticity in glasses and underpin many mesoscopic models of plastic flow, yet their atomic origin and energetics remain difficul…
A capillary problem, its dimension reduction, and its phase-field approximation
Patrick Dondl, Lars Pastewka, Luciano Sciaraffia +1
We study the behaviour of a given volume of liquid confined between two rough solid plates. When the separation between the plates is small relative to the liquid volume, capillary…
Nonparametric multiscale modeling of boundary lubrication: hexadecane in highly pressurized gold asperity contacts
Hannes Holey, Michael Moseler, Peter Gumbsch +1
Boundary lubrication is governed by molecular processes at the sliding interface that are inaccessible to classical continuum descriptions. While molecular dynamics (MD) simulation…
Resolving Structural Avalanches in Amorphous Carbon with Arclength Continuation
Fraser Birks, Ibrahim Ghanem, Lars Pastewka +2
Plastic deformation in amorphous solids is carried by localized shear transformations that self-organize into avalanches. In amorphous carbon modeled with a machine-learned interat…
Jacobi-accelerated FFT-based solver for smooth high-contrast data
Martin Ladecký, Ivana Pultarová, François Bignonnet +3
The computational efficiency and rapid convergence of fast Fourier transform (FFT)-based solvers render them a powerful numerical tool for periodic cell problems in multiscale mode…
Influence of tip materials on the friction force microscopy of epitaxial graphene on SiC(0001): comparison of diamond and silicon tips in experiments and atomistic simulations
Mohammad Zarshenas, Takuya Kuwahara, Bartosz Szczefanowicz +5
Friction force microscopy (FFM) with silicon tips on epitaxial graphene supported by SiC(0001) previously revealed a sharp increase in friction at a threshold normal force, linked…
Active learning for parameter-free multiscale modeling of boundary lubrication
Hannes Holey, Peter Gumbsch, Lars Pastewka
Lubricated friction is a multiscale problem where molecular processes dictate the macroscopic response of the system. Traditional lubrication models rely on semi-empirical constitu…
Fractal structure, depinning, and hysteresis of dislocations in high-entropy alloys
Hoa Thi Le, Wolfram G. Nöhring, Lars Pastewka
High-entropy alloys (HEAs) are complex alloys containing multiple elements in high concentrations. Plasticity in HEAs is carried by dislocations, but the random nature of their com…
Elastic shakedown and roughness evolution in repeated elastic-plastic contact
Lucas Frérot, Lars Pastewka
Surface roughness emerges naturally during mechanical removal of material, fracture, chemical deposition, plastic deformation, indentation, and other processes. Here, we use contin…
Why soft contacts are stickier when breaking than when making them
Antoine Sanner, Nityanshu Kumar, Ali Dhinojwala +2
Insects, pick-and-place manufacturing, engineered adhesives, and soft robots employ soft materials to stick to surfaces even in the presence of roughness. Experiments show that the…
Entropic stress of grafted polymer chains in shear flow
Jan Mees, Thomas C. O'Connor, Lars Pastewka
We analyze the shear response of grafted polymer chains in shear flow via coarse-grained molecular dynamics simulations. Our simulations confirm that the shear response is dominate…
Sound waves, diffusive transport, and wall slip in nanoconfined compressible fluids
Hannes Holey, Peter Gumbsch, Lars Pastewka
Although continuum theories have been proven quite robust to describe confined fluid flow at molecular length scales, molecular dynamics (MD) simulations reveal mechanistic insight…
Molecular simulations of sliding on SDS surfactant films
Johannes L. Hörmann, Chenxu Liu, Yonggang Meng +1
We use molecular dynamics simulations to study the frictional response of the anionic surfactant sodium dodecyl sulfate (SDS) monolayers and hemicylindrical aggregates physisorbed…
Yielding under compression and the polyamorphic transition in silicon
Jan Grießer, Gianpietro Moras, Lars Pastewka
We investigate the behavior of amorphous silicon under hydrostatic compression using molecular simulations. During compression, amorphous silicon undergoes a discontinuous nonequil…
Analytic elastic constants in molecular calculations: Finite strain, non-affine displacements, and many-body interatomic potentials
Jan Grießer, Lucas Frérot, Jonas A. Oldenstaedt +2
Elastic constants are among the most fundamental and important properties of solid materials, which is why they are routinely characterized in both experiments and simulations. Whi…
Molecular mechanisms of self-mated hydrogel friction
Jan Mees, Rok Simič, Thomas C. O'Connor +2
Self-mated hydrogel contacts show extremely small friction coefficients at low loads but a distinct velocity dependence. Here we combine mesoscopic simulations and experiments to t…
The surface-topography challenge: Problem definition
Tevis D. B. Jacobs, Nathaniel Miller, Martin H. Müser +1
We present to the community a surface-definition problem, whose solution we consider to be critical for the proper description of contacts between nominally flat surfaces [1,2]. In…
Interatomic potentials: Achievements and challenges
Martin H. Muser, Sergey V. Sukhomlinov, Lars Pastewka
Interatomic potentials approximate the potential energy of atoms as a function of their coordinates. Their main application is the effective simulation of many-atom systems. Here,…
Optimal FFT-accelerated Finite Element Solver for Homogenization
Martin Ladecký, Richard J. Leute, Ali Falsafi +4
We propose a matrix-free finite element (FE) homogenization scheme that is considerably more efficient than generic FE implementations. The efficiency of our scheme follows from a…
contact.engineering -- Create, analyze and publish digital surface twins from topography measurements across many scales
Michael C. Röttger, Antoine Sanner, Luke A. Thimons +6
The optimization of surface finish to improve performance occurs largely through trial and error, despite significant advancements in the relevant science. There are three central…
Nonequilibrium plastic roughening of metallic glasses yields self-affine topographies with strain-rate and temperature-dependent scaling exponents
Wolfram G. Nöhring, Adam R. Hinkle, Lars Pastewka
We study nonequilibrium roughening during compressive plastic flow of initially flat CuZr metallic glass using large-scale molecular dynamics simulations. Roughness e…
Dependence of Adhesive Friction on Surface Roughness and Elastic Modulus
Daniel Maksuta, Siddhesh Dalvi, Abhijeet Gujrati +3
When adhesive elastomeric materials slide over hard rough surfaces at low velocities, there are two primary dissipative mechanisms that control how friction changes with sliding ve…
Crack-front model for adhesion of soft elastic spheres with chemical heterogeneity
Antoine Sanner, Lars Pastewka
Adhesion hysteresis can be caused by elastic instabilities that are triggered by surface roughness or chemical heterogeneity. However, the role of these instabilities in adhesion h…
Height-averaged Navier-Stokes solver for hydrodynamic lubrication
Hannes Holey, Andrea Codrignani, Peter Gumbsch +1
Modelling hydrodynamic lubrication is crucial in the design of engineering components as well as for a fundamental understanding of friction mechanisms. The cornerstone of thin-fil…