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Deploying high-performing 3D medical image segmenters (e.g., nnU-Net) is often limited by memory footprint and inference latency. Compression is therefore necessary, but compact 3D encoders tend to lose fine structural cues (small lesions…
We use dissipative particle dynamics (DPD) simulations to study the effect of shear on domain morphology and kinetics of microphase separating critical diblock copolymer (BCP) bulk melts. The melt is confined within two parallel solid walls…
The mixing effectiveness, i.e., the enhancement of molecular diffusion, of a flow can be quantified in terms of the suppression of concentration variance of a passive scalar sustained by steady sources and sinks. The mixing enhancement…
The optimization of the mixing of a passive scalar at finite P\'eclet number $Pe=Uh/\kappa$ (where $U,h$ are characteristic velocity and length scales and $\kappa$ is the scalar diffusivity) is relevant to many significant flow challenges…
The separation of colloidal particles based solely on their surface properties is a highly challenging task. This study demonstrates that diffusiophoresis and diffusioosmosis enable the continuous separation of carboxylate polystyrene…
We present results on tagged particle diffusion in a meso-scale lattice model for sheared amorphous material in athermal quasi-static conditions. We find a short time diffusive regime and a long time diffusive regime whose diffusion…
Numerous natural systems depend on the sedimentation of passive particles in presence of swimming microorganisms. Here, we investigate the dynamics of the sedimentation of spherical colloids at various E. coli concentration within the…
The results of study of piezoelectrooptic (PEO) effect in the course of ferroelectric-ferroelastic phase transition in Rochelle salt crystals are presented. The coefficient of the combined effect is obtained from measurements of the changes…
Accurate prediction of a dense spray using an Euler-Lagrange approach is challenging because of high volume fraction of the dispersed phase due to subgrid cluster of droplets. To accurately model dense sprays, one needs to capture this…
We analyze the collective surface diffusion coefficient, $D_c$, near a first-order phase transition at which two phases coexist and the surface coverage, $\te$, drops from one single-phase value, $\te_+$, to the other one, $\te_-$. Contrary…
We propose a model that can account for the experimentally observed phase behavior of DNA-nanoparticle assemblies (R. Jin et al., JACS 125, 1643 (2003); T. A. Taton et al., Science 289, 1757 (2000)). The binding of DNA-coated nano-particles…
The dipole moment is a crucial molecular property linked to a molecular system's bond polarity and overall electronic structure. To that end, the electronic dipole moment, which results from the electron density of a system, is often used…
We use a Fundamental-Measure density functional for hard board-like polydisperse particles, in the restricted-orientation approximation, to explain the phase behaviour of platelet colloidal suspensions studied in recent experiments. In…
Diffusion Monte Carlo (DMC) is being recognized as a higher-accuracy, albeit more computationally expensive, alternative to Density Functional Theory (DFT) for energy predictions of catalytic systems. A major computational bottleneck in the…
We present numerical results for the breakup of a pair of colloidal particles enveloped by a droplet under shear flow. The smoothed profile method is used to accurately account for the hydrodynamic interactions between particles due to the…
The phase behavior of symmetric diblock copolymers under three-dimensional (3D) soft confinement is investigated using the self-consistent field theory. The soft confinement is realized in binary blends composed AB diblock copolymers and C…
Monte Carlo simulations have been performed for aqueous charged colloidal suspensions as a function of charge density on the particles and salt concentration. We vary the charge density in our simulations over a range where a reentrant…
A model for two-dimensional colloids confined laterally by "structured boundaries" (i.e., ones that impose a periodicity along the slit) is studied by Monte Carlo simulations. When the distance D between the confining walls is reduced at…
Colloid-polymer mixtures may undergo either fluid-fluid phase separation or gelation. This depends on the depth of the quench (polymer concentration) and polymer-colloid size ratio. We present a real-space study of dynamics in phase…
We calculate the self diffusion coefficients $D_S$ for the species $s=1,2$ of a mixture, and show that a general scaling relation $D_2{\sim}D_1^a$ with a non universal exponent $a$ holds. The generalized diffusion coefficients, dependent on…