Related papers: Modeling morphology evolution during solvent-based…
We model shell formation of core-shell noble metal nanoparticles. A recently developed kinetic Monte Carlo approach is utilized to reproduce growth morphologies realized in recent experiments on core-shell nanoparticle synthesis, which…
Designing metal-organic frameworks (MOFs) with novel chemistries is a longstanding challenge due to their large combinatorial space and complex 3D arrangements of the building blocks. While recent deep generative models have enabled…
The evaporation of sessile droplets on a flat surface involves a complex interplay between phase change, diffusion, advection and surface forces. In an attempt to significantly reduce the complexity of the problem and to make it manageable,…
When a droplet containing a concentrated suspension evaporates in a dry environment, a layer often forms at the interface accumulating non-volatile material. Such a "skin layer" experiences strong stresses and eventually turns mechanically…
Using an interface displacement model derived from a microscopic density functional theory we investigate thin liquidlike wetting layers adsorbed on flat substrates with an embedded chemical heterogeneity forming a stripe. For a wide range…
Conservative and non-conservative phase-field models are considered for the numerical simulation of lateral phase separation and coarsening in biological membranes. An unfitted finite element method is devised for these models to allow for…
When a film of a liquid suspension of nanoparticles or a polymer solution is deposited on a surface, it may dewet from the surface and as the solvent evaporates the solute particles/polymer can be deposited on the surface in regular line…
We theoretically investigate homogeneous crystal nucleation in a solution containing a solute and a volatile solvent. The solvent evaporates from the solution, thereby continuously increasing the concentration of the solute. We view it as…
This paper presents a modeling framework---mathematical model and computational framework---to study the response of a plastic material due to the presence and transport of a chemical species in the host material. Such a modeling framework…
The fragmentation of filaments in molecular clouds has attracted a lot of attention as there seems to be a relation between the evolution of filaments and star formation. The study of the fragmentation process has been motivated by simple…
As feature sizes shrink to the nanometer scale, accurately transferring circuit patterns from photomasks to silicon wafers becomes increasingly challenging. Optical proximity correction (OPC) is widely used to ensure pattern fidelity and…
A micromorphic computational homogenization framework has recently been developed to deal with materials showing long-range correlated interactions, i.e. displaying patterning modes. Typical examples of such materials are elastomeric…
Wood-composite materials are widely used today as they homogenize humidity related directional deformations. Quantification of these deformations as coefficients is important for construction and engineering and topic of current research…
We numerically study the dynamic behavior under a symmetric shear flow of selected examples of concentrated phase emulsions with multi-core morphology confined within a microfluidic channel. A variety of new nonequilibrium steady states is…
We perform a quantitative analysis of Monte Carlo simulations results of phase separation in ternary blends upon evaporation of one component. Specifically, we calculate the average domain size and plot it as a function of simulation time…
All simulation approaches eventually face limits in computational scalability when applied to large spatiotemporal domains. This challenge becomes especially apparent in molecular-level particle simulations, where high spatial and temporal…
We explore reshaping of nematoelastic films upon imbibing an isotropic solvent under conditions when isotropic and nematic phases coexist. The structure of the interphase boundary is computed taken into account the optimal nematic…
While evaporating solvent is a widely used technique to assemble nano-sized objects into desired superstructures, there has been limited work on how the assembled structures are affected by the physical aspects of the process. We present…
Root systems can influence the dynamics of evapotranspiration of water out of a porous medium. The coupling of evapotranspiration remains a key aspect affecting overall root behavior. Predicting the evapotranspiration curve in the presence…
Powder-based additive manufacturing has transformed the manufacturing industry over the last decade. In Laser Powder Bed Fusion, a specific part is built in an iterative manner in which two-dimensional cross-sections are formed on top of…