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Modeling and simulation of fluid-structure interactions are crucial to the success of aerospace engineering. This work addresses a novel hybrid algorithm that models the close coupling between compressible flows and deformable materials…
Two-dimensional colloidal nanoplatelets (NPLs) with atomically defined thickness exhibit unique physical properties, yet understanding their formation mechanism and assembly remains essential for tuning their collective behavior. We report…
Unlike molecular crystals, soft self-assembled fibres, micelles, vesicles, etc., exhibit a certain order in the arrangement of their constitutive monomers, but also high structural dynamicity and variability. Defects and disordered local…
Sampling useful three-dimensional molecular structures along with their most favorable conformations is a key challenge in drug discovery. Current state-of-the-art 3D de-novo design flow matching or diffusion-based models are limited to…
Non-equilibrium assembly, driven by fluxes controllable by continuous external energy inputs, enables dynamic and reconfigurable structures. Such controlled 3D assembly is desired for the design of adaptive materials that exploit…
Programmable assembly of nanoparticles into structures other than hexagonal lattices remains challenging. Assembling an open checkerboard or square lattice is harder to achieve compared to a close-packed hexagonal structure. Here, we…
Superspreading wetting is traditionally attributed to surfactant-driven mechanisms. However, recent observations of superspreading in surfactant-free nanofluids defy standard theoretical explanations. This study considers a data-driven…
The polymer nanocomposites find applications in diverse areas ranging from smart materials to bioengineering. They are developed by dispersion of nanomaterials in a bulk phase of a polymeric material. Although several methods facilitate…
We demonstrate a novel route of spatially organizing the colloid arrangements on the polymer-grafted substrate by use of self-consistent field and density functional theories. We find that grafting of polymers onto a substrate can…
We consider dense rapid shear flow of inelastically colliding hard disks. Navier-Stokes granular hydrodynamics is applied accounting for the recent finding \cite{Luding,Khain} that shear viscosity diverges at a lower density than the rest…
Many dense granular systems are non-monodisperse, consisting of particles of different sizes, and will segregate based on size during flow. This phenomenon is an important aspect of many industrial and geophysical processes, necessitating…
Self-assembly of nanoparticles at fluid-fluid interfaces is a promising route to fabricate functional materials from the bottom-up. However, directing and controlling particles into highly tunable and predictable structures -- while…
This paper presents the first high-order computational fluid dynamics (CFD) simulations of static and spinning golf balls at realistic flow conditions. The present results are shown to capture the complex fluid dynamics inside the dimples…
Single-chain nanoparticles (SCNPs) are ultrasoft objects obtained through purely intramolecular cross-linking of single polymer chains. By means of computer simulations with implemented hydrodynamic interactions, we investigate for the…
Nanobubble-related technologies have been confirmed to be useful in various fields such as climate change and the environment as well as water-based industries such as water purification, crops, horticulture, medical care, bio, and…
Nanofabrication techniques for achieving dimensional control at the nanometer scale are generally equipment-intensive and time-consuming. The use of energetic beams of electrons or ions has placed the fabrication of nanopores in thin…
We survey our research on modeling the mechanisms of control of uniformity in growth of nanosize and colloid particles. The former are produced as nanocrystals, by burst-nucleation from solution. The latter, colloid-size particles, are…
Various experimental settings that involve drying solutions or suspensions of nanoparticles -- often called nanofluids -- have recently been used to produce structured nanoparticle layers. In addition to the formation of polygonal networks…
Controlled assembly of single-crystal, colloidal maghemite nanoparticles is facilitated via a high-temperature polyol-based pathway. Structural characterization shows that size-tunable nanoclusters of 50 and 86 nm diameters (D), with high…
Guided by extensive numerical simulations, we propose a microfluidic device that can sort elastic capsules by their deformability. The device consists of a duct embedded with a semi-cylindrical obstacle, and a diffuser which further…