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Tracer diffusion in crowded environments is central to many biological and soft matter systems, but quantitative frameworks for linking tracer motion to environmental structure remain limited. Here, we study the transport of rigid tracers…
We develop our existing two-dimensional lattice-gas model to simulate the flow of single-phase, binary-immiscible and ternary-amphiphilic fluids. This involves the inclusion of fixed obstacles on the lattice, together with the inclusion of…
Gas separation using polymer membranes promises to dramatically drive down the energy, carbon, and water intensity of traditional thermally driven separation, but developing the membrane materials is challenging. Here, we demonstrate a…
The phase diagram of the penetrable square-well fluid is investigated through Monte Carlo simulations of various nature. This model was proposed as the simplest possibility of combining bounded repulsions at short scale and short-range…
When modelling fluid flow in fractured reservoirs, it is common to represent the fracturesas lower-dimensional inclusions embedded in the host medium. Existing discretizationsof flow in porous media with thin inclusions assume that the…
Winkler's mattress model is often used as a simplified model to understand how a thin elastic layer, such as a coating, deforms when subject to a distributed normal load: the deformation of the layer is assumed proportional to the applied…
Highly accurate and predictive models of resistive switching devices are needed to enable future memory and logic design. Widely used is the memristive modeling approach considering resistive switches as dynamical systems. Here we introduce…
In finite-volume-based flow simulations, absorbing layers are widely used to reduce pressure wave reflections at boundaries of the computational domain. A disadvantage of absorbing layers is that they contain case-dependent parameters; thus…
The objective of this work is to assess computationally efficient coarse-grained plasticity models against high-fidelity crystal plasticity simulations for magnesium polycrystals over a wide range of textures and grain sizes. A basic…
Recent experiments have revealed that the meniscus formed near a surface-piercing barrier can significantly alter the propagation and scattering of capillary-gravity surface waves, beyond what classic flat-surface models predict. In…
This work aims to describe a mathematical model and a numerical method to simulate a thin anisotropic composite membrane moving and deforming in 3D space under a dynamic load of an arbitrary time and space profile. The model and the method…
In purely non-dissipative systems, Lagrangian and Hamiltonian reduction have proven to be powerful tools for deriving physical models with exact conservation laws. We have discovered a hint that an analogous reduction method exists also for…
We present computer simulations of a simple bead-spring model for polymer melts with intramolecular barriers. By systematically tuning the strength of the barriers, we investigate their role on the glass transition. Dynamic observables are…
In this paper, a coherent boundary value problem to model metamaterials' behavior based on the relaxed micromorphic model is established. This boundary value problem includes well-posed boundary conditions, thus disclosing the possibility…
The technique of damage spreading is used to study the phase diagram of the easy axis anisotropic Heisenberg antiferromagnet on two geometrically frustrated lattices. The triangular and kagome systems are built up from triangular units that…
Topological insulators subject to a time-symmetry-breaking perturbation are predicted to display a magneto-electric effect that causes the electric and magnetic induction fields to mix at the material's surface. This effect induces…
Understanding the dynamics of naturally fractured systems and fractured reservoirs in terms of flow, heat transport and fracture stability (e.g. induced seismicity) is important for a range of applications associated with waste water…
Diffusion through semipermeable structures arises in a wide range of processes in the physical and life sciences. Examples at the microscopic level range from artificial membranes for reverse osmosis to lipid bilayers regulating molecular…
Small scale contact between a soft, liquid-coated layer and a stiff surface is common in many situations, from synovial fluid on articular cartilage to adhesives in humid environments. Moreover, many model studies on soft adhesive contacts…
The complexity of glasses makes it challenging to explain their dynamics. Machine Learning (ML) has emerged as a promising pathway for understanding glassy dynamics by linking their structural features to rearrangement dynamics. Support…