Related papers: Surface-Directed Spinodal Decomposition: A Molecul…
We propose score dynamics (SD), a general framework for learning accelerated evolution operators with large timesteps from molecular-dynamics simulations. SD is centered around scores, or derivatives of the transition log-probability with…
Motivated by the experimentally observed shear-induced destabilization and reorientation of smectic A like systems, we consider an extended formulation of smectic A hydrodynamics. We include both, the smectic layering (via the layer…
Wall-resolved large-eddy simulations are performed to study the impact of spanwise traveling transversal surface waves in zero-pressure gradient turbulent boundary layer flow. Eighty variations of wavelength, period, and amplitude of the…
We have revisited the composition dependence of principal properties of liquid water-DMSO mixtures by using the isobaric-isothermal molecular dynamics computer simulations. A set of non-polarizable semi-flexible models for the DMSO molecule…
The dune morphodynamics study is under highly focused recently, due to aeolian process induced nonlinear correlation to sediment modification over bedform. Surface stress, inflicted by aloft upcoming wind, impacts, crucially, the sediment…
A three-dimensional model of polydisperse reactive sedimentation is developed by means of a multilayer shallow water approach. The model consists of a variety of solid particles of different sizes and densities, and substrates diluted in…
We investigate the behavior of the slip length in Newtonian liquids subject to planar shear bounded by substrates with mixed boundary conditions. The upper wall, consisting of a homogenous surface of finite or vanishing slip, moves at a…
A range of technologies require the directed motion of nanoscale droplets on solid substrates. A way of realizing this effect is durotaxis, whereby a stiffness gradient of a substrate can induce directional motion without requiring an…
A multiscale scheme combining molecular dynamics (MD) and microscopic phase-field theory is proposed to study the structural phase transformations in solids with inhomogeneous strain field. The approach calculates strain response based on…
Recent work has highlighted roles for thermodynamic phase behavior in diverse cellular processes. Proteins and nucleic acids can phase separate into three-dimensional liquid droplets in the cytoplasm and nucleus and the plasma membrane of…
The phase separation of a two-dimensional active binary mixture is studied under the action of an applied shear through numerical simulations. It is highlighted how the strength of the external flow modifies the initial shape of growing…
Recent theoretical studies have demonstrated the possibility to excite and sustain noncollinear magnetization states in ferromagnetic nanowires. The resulting state is referred to as a spin-density wave (SDW). SDWs can be interpreted as…
We present simulation results and an explanatory theory on how antagonistic salts affect the spinodal decomposition of binary fluid mixtures. We find that spinodal decomposition is arrested and complex structures form only when…
Although the anisotropy of the solid-liquid interfacial free energy for most alloy systems is very small, it plays a crucial role in the growth rate, morphology and crystallographic growth direction of dendrites. Previous work posited a…
Microscopic dynamics reveal the origin of the bulk rheological response in complex fluids. In model systems particle motion can be tracked, but for industrially relevant samples this is often impossible. Here we adapt differential dynamic…
A sponge subjected to an increase of the outside fluid pressure expands its volume but nearly mantains its true density and thus gives way to an increase of the interstitial volume. This behaviour, not yet properly described by solid-fluid…
An embedded-domain phase-field formalism is used for studying phase transformation pathways in bimetallic nanoparticles (BNPs). Competition of bulk and surface-directed spinodal decomposition processes and their interplay with capillarity…
During coalescence of liquid drops contacting a solid, the liquid sweeps wetted and solid-projected areas. The extent of sweeping dictates the performance of devices such as self-cleaning surfaces, anti-frost coatings, water harvesters, and…
Soft membranes are commonly employed in shape-morphing applications, where the material is programmed to achieve a target shape upon activation by an external trigger, and as coating layers that alter the surface characteristics of bulk…
Plastic deformation In crystalline materials is controlled by the motion and interactions of dislocations [AND 17]. Discrete Dislocation Dynamics (DDD) simulations have now existed for about 25 years to investigate plastic flow at the…