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In simulations of a water-like model (ST2) that exhibits a liquid-liquid phase transition, we test for the occurrence of a thermodynamic region in which the liquid can be modelled as a two-component mixture. We assign each molecule to one…
Hydrophobic interactions are central to biological self-assembly and soft matter organization, yet their microscopic origins remain debated. A key hallmark is the strengthening of attraction between hydrophobic solutes with increasing…
As a first step towards a microscopic understanding of the effective interaction between colloidal particles suspended in a solvent we study the wetting behavior of one-component fluids at spheres and fibers. We describe these phenomena…
Despite long-term research and development of modern shock absorbers, the effect of variations of several crucial material and model parameters still remains dubious. The goal of this work is therefore a study of the changes of shock…
Molecular dynamics simulations are performed to study the temperature-dependent dynamics and structures of the hydration shells of elastin-like and collagen-like peptides. For both model peptides, it is consistently observed that, upon…
The stochastic variations in the structural properties of thin fiber networks govern to a great extent their mechanical performance. To assess the influence of local structural variability on the local strain and mechanical response of the…
We developed a detailed microscopic method that describes the shear modulus anomaly of solid helium at low temperature. The shear modulus was calculated using the pinning length of dislocations determined in detail for both crossing network…
The structure and degree of order in soft matter and other materials is intimately connected to the nature of the interactions between the particles. One important research goal is to find suitable control mechanisms, to enhance or suppress…
The fragility, that controls the temperature-dependent viscous properties of liquids as the glass transition is approached, in various glass-forming liquids with different atomic interactions and densities is investigated by molecular…
Materials used in real clothing exhibit remarkable complexity and spatial variation due to common processes such as stitching, hemming, dyeing, printing, padding, and bonding. Simulating these materials, for instance using finite element…
Unstructured proteins can modulate cellular responses to environmental conditions by undergoing coil-globule transitions and phase separation. However, the molecular mechanisms of these phenomena still need to be fully understood. Here, we…
We carry out the homogenization of a fluid-structure interaction problem consisting in the periodic inclusions of a viscous fluid in an elastic body. We get a macrostructure model where the body behaves as a viscoelastic material with a…
The mechanical response of cellular materials with spinodal topologies is numerically and experimentally investigated. Spinodal microstructures are generated by the numerical solution of the Cahn-Hilliard equation. Two different topologies…
Recently, it has been found experimentally that hydrated nacre exhibits a nonlinear mechanical response. While mechanical nonlinearity has been shown to be important in other biological structures, such as spider webs, the implications of…
A mixture of solvent particles with short-range, directional interactions and solute particles with short-range, isotropic interactions that can bond multiple times is of fundamental interest in understanding liquids and colloidal mixtures.…
In this study, we develop a conditional diffusion model that proposes the optimal process parameters and predicts the microstructure for the desired mechanical properties. In materials development, it is costly to try many samples with…
Quantifying the relationship between geometric descriptors of microstructure and effective properties like permeability is essential for understanding and improving the behavior of porous materials. In this paper, we employ a previously…
Particles added to a fluid interface can be used as a surface stabilizer in the food, oil and cosmetic industries. As an alternative to rigid particles, it is promising to consider highly deformable particles that can adapt their…
Buckling induced by viscous flow changes the shape of sheet-like nanomaterial particles suspended in liquids. This instability at the particle scale affects collective behavior of suspension flows and has many technological and biological…
Paper materials are natural composite materials and well-known to be hydrophilic unless chemical and mechanical processing treatments are undertaken. The relative humidity impacts the fiber elasticity, the fiber-fiber bonds and the failure…