The effect of loading on surface roughness at the atomistic level

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Surface roughness is a key factor when it comes to friction and wear, as well as to other physical properties. These phenomena are controlled by mechanisms acting at small scales, in which the topography of apparently flat surfaces is revealed. Roughness i ...

Atomistic simulations performed with a family of model potential with tunable hardness have proven to be a great tool for advancing the understanding of wear processes at the asperity level. They have been instrumental in finding a critical length scale, w ...

When two rough surfaces slide against each other, two main behaviors can be observed at the asperity level: A ductile behavior where the asperities tend to smooth out or a brittle behavior where the asperities detach and form debris. Recently, a critical l ...

Frictional contacts lead to the formation of a surface layer called the third body, consisting of wear particles and structures resulting from their agglomerates. Its behavior and properties at the nanoscale control the macroscopic tribological performance ...

Friction and wear occur at every interface between solid materials. In the design of mechanical devices, it is desirable to be able to quantify and control the amount of friction and wear, as well as predict their evolution with time. ``Tribology'' is the ...

Using classical molecular dynamics simulations, we investigate the dielectric properties at interfaces of water with graphene, graphite, hexane, and water vapor. For graphite, we compare metallic and nonmetallic versions. At the vapor-liquid water and hexa ...

Nuclear magnetic resonance (NMR) chemical shifts are a direct probe of local atomic environments and can be used to determine the structure of solid materials. However, the substantial computational cost required to predict accurate chemical shifts is a ke ...

While sliding at seismic slip-rates of ∼1 m/s, natural faults undergo an abrupt decrease of shear stress called dynamic weakening. Asperity-scale processes related to flash heating and weakening and, meso-scale (mm-cm) processes involving shear across the ...

The use of molecular dynamics (MD) simulations has led to promising results to unravel the atomistic origins of adhesive wear, and in particular for the onset of wear at nanoscale surface asperities. However, MD simulations come with a high computational c ...

We develop an analytical model of adhesive wear between two unlubricated rough surfaces, forming micro-contacts under normal load. The model is based on an energy balance and a crack initiation criteria. We apply the model to the problem of self-affine rou ...

This study presents an improvement of an existing tribocorrosion model developed for passive CoCrMo alloys. This model is based on an empirical formalism established by Duncan Dowson in his pioneering works on the relation between wear and elasto-hydrodyna ...

Molecular simulations and molecular docking are widely used tools to investigate ligand/target interactions and in drug design. High-performance computing (HPC) is boosting both the accuracy and predictive power of these approaches. With the advent of exas ...

When two solids start rubbing together, frictional sliding initiates in the wake of slip fronts propagating along their surfaces in contact. This macroscopic rupture dynamics can be successfully mapped on the elastodynamics of a moving shear crack. However ...

In concrete structures, opened cracks contribute significantly to the transfer of shear and normal stresses through the contact forces occurring between fractured surfaces. Such contact forces are due to protruding asperities, engaged by interlocking and f ...

All mechanical systems, naturally occurring or human-produced, are subjected to friction and wear at the interface of solid constituents. Large portions of energy dissipation and loss of material, in every-day life and industrial applications alike, are du ...

Current engineering wear models are often based on empirical parameters rather than built upon physical considerations. Here, we look for a physical description of adhesive wear at the microscale, at which the interaction between two surfaces comes down to ...

We introduce a new model to study the effect of surface roughness on the jamming transition. By performing numerical simulations, we show that for a smooth surface, the jamming transition density and the contact number at the transition point both increase ...

Aggregate interlocking is a phenomenon occurring when the opposite sides of a concrete crack slide relative to each other. Due to surface roughness, protruding material from one crack-side can engage with the opposite one and thus exchange forces. This aff ...

Understanding the physical processes involved in snow avalanche‐obstacle interaction is essential to be able to estimate the pressure exerted on structures. Although avalanche impact pressure has been measured in field experiments for decades, the underlyi ...

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 ...

The effect of loading on surface roughness at the atomistic level

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Roughness Evolution Induced by Third-Body Wear

A story of two transitions: From adhesive to abrasive wear and from ductile to brittle regime

Understanding the mechanisms of adhesive wear for heterogeneous materials through atomistic simulations

Effect of wear particles and roughness on nanoscale friction

Modeling the origins of adhesive wear across scales

Effects of surface rigidity and metallicity on dielectric properties and ion interactions at aqueous hydrophobic interfaces

A Machine Learning Model of Chemical Shifts for Chemically and Structurally Diverse Molecular Solids

Determination of Parameters Characteristic of Dynamic Weakening Mechanisms During Seismic Faulting in Cohesive Rocks

Adhesive wear with a coarse-grained discrete element model

Adhesive wear regimes on rough surfaces and interaction of micro-contacts

A lubricated tribocorrosion model incorporating surface roughness

Expanding the boundaries of ligand-target modeling by exascale calculations

Onset of sliding across scales: How the contact topography impacts frictional strength

Multi-scale modeling of aggregate interlock phenomena in concrete

Bridging scales in wear modeling with volume integral methods for elastic-plastic contact

Adhesive wear and interaction of tangentially loaded micro-contacts

Jamming with Tunable Roughness

The transfer of forces through rough surface contact in concrete

Decoupling the role of inertia, friction and cohesion in dense granular avalanche pressure build‐up on obstacles

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