软凝聚态物质
We present a first-principles molecular dynamics study of an excess electron in condensed phase models of solvated DNA bases. Calculations on increasingly large microsolvated clusters taken from liquid phase simulations show that adiabatic…
We investigate the orientational ordering and close-packing behavior of hard Gaussian overlap (HGO) particles, which are confined into a quasi-one-dimensional (q1D) channel. In the channel, particles are allowed to move along the channel…
We study the energy expenditure and structural correlations in semi-dilute to concentrated suspensions of squirmers using active fast Stokesian dynamics simulations. Specifically, we simulate apolar active suspensions of squirmers, or…
Sedimentation is extremely common in nature, occurring throughout the atmosphere and oceans, and in every laboratory centrifuge. The shape and mass distribution of a particle uniquely determines its motion at low Reynolds number, and…
Using three-dimensional Discrete Element Method (DEM) simulations, we investigate the erosion dynamics of a cohesive bed composed of wet spherical particles subjected to the shear flow of an overlying non-cohesive granular layer. Cohesion…
Thin-walled structures capable of large, reversible deformation are key to multistable structures, origami, kirigami, and soft robotics. However, conventional fabrication techniques, including 3D printing, casting, and laser cutting, suffer…
In this work, we show how the rheology of granular suspensions can be related to the properties of the fluctuations of the velocity field inside the medium. In particular, effective Navier-Stokes equations in the different flow regimes are…
Copolymerization is commonly employed to tune polymers' glass formation and improve properties such as ion conductivity and adhesion. Classically, mixing rules such as the Fox equation are employed to explain glass transition temperature…
Multiple emulsions offer a compelling route to confine nucleation and growth during drug precipitation, yet their practical use is frequently limited by kinetic fragility and sensitivity to formulation and processing conditions. Here, we…
Understanding how interparticle interactions govern phase behavior is central to controlling self-organization in multicomponent soft-matter systems. In particular, the role of cross-interactions between unlike components remains…
We investigate polymers pulled away from an interacting surface, where the force is applied to the untethered endpoint and at an angle $\theta$ to the surface. We use the canonical self-avoiding walk model of polymers and obtain the phase…
We study the rheology of dense granular materials subjected to vertical vibration {by} using numerical simulations of a stress-imposed vane rheometer. The effective viscosity increases with confining pressure, decreases with vibration…
Rational design strategies for self-assembly require a detailed understanding of both the equilibrium state and the assembly kinetics. While the former is starting to be well understood, the latter remains a major theoretical challenge,…
The linear viscoelastic response of single semiflexible polymer chains in the infinite-dilution limit is studied using Brownian dynamics simulations of coarse-grained bead-spring chains. The springs obey the FENE-Fraenkel force law, a…
Particles diffusing near interfaces face anisotropic resistance to motion due to hydrodynamic interactions. While this has been extensively studied near \textit{hard} interfaces since the works of Lorentz and Brenner, our understanding of…
Lacking a universal law for granular flows across gravitational environments, fundamental processes such as hopper discharge remain vulnerable to failure in low gravity environments. A central challenge is clogging, the spontaneous arrest…
We study the effects of colloidal nanoparticles (NPs) in liquid crystal samples in the dilute limit, in a Landau--de Gennes theoretical framework. The effects of the suspended NPs are captured by a homogenized energy, as outlined…
Active particles are non-equilibrium entities that uptake energy and convert it into self-propulsion. A dynamically rich class of inertial active particles having features of wave-particle coupling and wave memory are walking/superwalking…
We investigate collective search by self-propelled agents that are repelled by their own chemically produced trails, a minimal mechanism that simultaneously generates indirect interactions and memory. Using lattice and off-lattice models,…
It has been found that in mixtures of nematic E7 and smectogenic cholesteryl oleyl carbonate (COC) the S$_A$-N* transition temperature is substantially (by ~20 K) increased, as compared with pure COC, at E7 concentrations around ~40%.…