Related papers: Machine Learning-integrated Multiscale Simulation …
Obtaining a rigorous and reliable method for linking computer simulations of polymer blends and composites at different length scales of interest is a highly desirable goal in soft matter physics. In this paper a multiscale modeling…
Hybrid molecular dynamics/Monte Carlo simulations used to study melts of unentangled, thermoreversibly associating supramolecular polymers. In this first of a series of papers, we describe and validate a model that is effective in…
The associative interaction, such as hydrogen bonding, can bring about versatile functionalities to polymer systems, which has been investigated by tremendous researches, but the fundamental understanding on association process is still…
Brownian dynamics simulations of fairly long, highly detailed polymer chains, at the resolution of a single Kuhn step, remains computationally prohibitive even on the modern processors. This is especially true when the beads on the chain…
Active matter systems - such as a collection of active colloidal particles - operate far from equilibrium with complex inter-particle interactions that govern their collective dynamics. Predicting the collective dynamics of such systems may…
A mesoscopic, mixed particle- and field-based Brownian dynamics methodology for the simulation of entangled polymer melts has been developed. Polymeric beads consist of several Kuhn segments, and their motion is dictated by the Helmholtz…
We present a novel thermodynamically guided, low-noise, time-scale bridging, and pertinently efficient strategy for the dynamic simulation of microscopic models for complex fluids. The systematic coarse-graining method is exemplified for…
The rheology of dense Brownian suspensions of hard spheres is investigated numerically beyond the low shear rate Newtonian regime. We analyze an athermal analogue of these suspensions, with an effective logarithmic repulsive potential…
Achieving precise control of colloidal self-assembly into specific patterns remains a longstanding challenge due to the complex process dynamics. Recently, machine learning-based state representation and reinforcement learning-based control…
Bolted joints are critical in engineering for maintaining structural integrity and reliability. Accurate prediction of parameters influencing their function and behavior is essential for optimal performance. Traditional methods often fail…
The conformational and dynamical properties of active Brownian polymers embedded in a fluid depend on the nature of the driving mechanism, e.g., self-propulsion or external actuation of the monomers. Implementations of self-propelled and…
Stokesian Dynamics (SD) is a numerical framework used for simulating hydrodynamic interactions in particle suspensions at low Reynolds number. It combines far-field approximations with near-field lubrication corrections, offering a balance…
Modeling high-order feature interactions efficiently is a central challenge in click-through rate and conversion rate prediction. Modern industrial recommender systems are predominantly built upon deep learning recommendation models, where…
The nonlinear rheological properties of dense colloidal suspensions under steady shear are discussed within a first principles approach. It starts from the Smoluchowski equation of interacting Brownian particles in a given shear flow,…
We perform detailed computational and experimental measurements of the driven dynamics of a dense, uniform suspension of sedimented microrollers driven by a magnetic field rotating around an axis parallel to the floor. We develop a…
A reasonably accurate representation of a polymer chain is provided by beads connected with rods, or stiff, inextensible springs that mimic a single Kuhn step. Due to high computational cost, coarse-grained bead-spring models are used in…
Predictive simulations of complex systems are essential for applications ranging from weather forecasting to drug design. The veracity of these predictions hinges on their capacity to capture the effective system dynamics. Massively…
Chemical communication, response, and feedback are key requirements for the function of adaptive materials with life-like properties. However, how communication on the single cell-level impacts the collective structural, dynamical and…
We study the structure and dynamics of a transient network composed of droplets of microemulsion connected by telechelic polymers. The polymer induces a bridging attraction between droplets without changing their shape. A viscoelastic…
Brownian Dynamics simulations are an important tool for modeling the dynamics of soft matter. However, accurate and rapid computations of the hydrodynamic interactions between suspended, microscopic components in a soft material is a…