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We present direct numerical simulations (DNS) of particle deposition in a turbulent channel flow, incorporating a viscoelastic soft-sphere collision model with temperature-dependent van der Waals adhesion. Particle-wall contact is governed…

Simulations of biological macromolecules play an important role in understanding the physical basis of a number of complex processes such as protein folding. Even with increasing computational power and evolution of specialized…

A new discrete cohesive zone model (DCZM) is presented for modeling the interface behavior of adhesive-bonded thin laminates and sandwich panels. The proposed model treats the interface as a spring element and the adherent as a beam…

We simulated the cohesive particle flow in an impeller-based rheometer using Discrete Element Method (DEM), and we focus on the dynamics of particles around the constriction between the blade and its surrounding vessel wall. The results…

Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…

Discrete simulation methods are efficient tools to investigate the complex behaviors of complex fluids made of either dry granular materials or dilute suspensions. By contrast, materials made of soft and/or concentrated units (emulsions,…

Dense suspensions of colloidal or granular particles can display pronounced non-Newtonian behaviour, such as discontinuous shear thickening (DST) and shear jamming (SJ). The essential contribution of particle surface roughness and adhesive…

Modeling membrane interactions with arbitrarily shaped colloidal particles, such as environmental micro- and nanoplastics, at the cell scale remains particularly challenging, owing to the complexity of particle geometries and the need to…

Spreading uniform and dense layers is of paramount importance to creating high-quality components using powder bed additive manufacturing (AM). Blade-like tools are often employed for spreading powder metal feedstocks, especially in laser…

Using a well defined soft model glass in the framework of Molecular Dynamics simulations, the inherent structures are probed by means of a recently developed deformation protocol that aims to capture the Dynamical Heterogeneities (DH), as…

We study time-dependent density segregation of granular mixtures flowing over an inclined plane. Discrete Element Method (DEM) simulations in a periodic box are performed for granular mixtures of same size and different density particles…

Dense suspensions of particles dispersed in liquids are central to industrial and geophysical processes and serve as model systems for out-of-equilibrium soft matter. At high particle concentrations, they exhibit stress-dependent rheology,…

We study the adhesive contact between elastic solids with randomly rough, self affine fractal surfaces. We present molecular dynamics (MD) simulation results for the interfacial stress distribution and the wall-wall separation. We compare…

A novel method to investigate the compaction behaviour of cohesive powders is presented. As a sample, a highly porous agglomerate formed by random ballistic deposition (RBD) of micron sized spherical particles is used. A nanomanipulator…

The discrete element method (DEM) can provide detailed descriptions of sea ice dynamics that explicitly model floes and discontinuities in the ice, which can be challenging to represent accurately with current models. However, floe-scale…

Developing physics-based models for molecular simulation requires fitting many unknown parameters to diverse experimental datasets. Traditionally, this process is piecemeal and difficult to reproduce, leading to a fragmented landscape of…

This study presents and calibrates a Discrete Element Method (DEM) contact model for wet granular materials in the pendular regime. The model extends a previously calibrated dry contact formulation by incorporating liquid bridges that…

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML…

Atomic force microscopy (AFM) is one of the most promising methods for investigating the structure of materials at the micro and nanoscale levels, as well as their local physical-mechanical properties. The experimental data obtained with…

Advanced simulations of the mechanical behavior of soft tissues frequently rely on structure-based constitutive models, including smeared descriptions of collagen fibers. Among them, the so-called Discrete Fiber Dispersion (DFD) model is…