相关论文: Structure and phase behavior of colloidal dumbbell…
We present a coarse-grained C$\alpha$-based protein model that can be used to simulate structured, intrinsically disordered and partially disordered proteins. We use a Go-like potential for the structured parts and two different variants of…
We use large-scale numerical simulations to study the formation and evolution of non-topological defects in a generalized electroweak phase transition described by the Glashow-Salam-Weinberg model without fermions. Such defects include…
We study the particle-scale dynamics that give rise to bulk flow behaviours of highly concentrated particle-fluid mixtures using discrete element method (DEM) simulations. We utilize boundary conditions of a stress-controlled shear cell and…
The hydrodynamic interactions among bacterial cell bodies, flagella, and surrounding boundaries are essential for understanding bacterial motility in complex environments. In this study, we demonstrate that each slender flagellum can be…
The Asakura-Oosawa model for colloid-polymer mixtures is studied by Monte Carlo simulations at densities inside the two-phase coexistence region of fluid and solid. Choosing a geometry where the system is confined between two flat walls,…
We perform the variational Monte Carlo calculation for recently proposed chiral superconducting states driven by strong Coulomb interactions. We compare the resulting energetics of these electronic phases for the electron dispersion…
Polar patterns and topological defects are ubiquitous in active matter. In this paper, we study a paradigmatic polar active dumbbell system through numerical simulations, to clarify how polar patterns and defects emerge and shape evolution.…
We have carried out a density functional theory study on the structures of DMSO clusters and analysed the structure and their stability using molecular electrostatic potential and quantum theory of atoms-in-molecules (QTAIM). The ground…
Systems of self-propelled particles are known for their tendency to aggregate and to display swarm behavior. We investigate two model systems, self-propelled rods interacting via volume exclusion, and sinusoidally-beating flagella embedded…
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,…
A partially miscible binary liquid mixture, composed of A and B particles, is considered theoretically under conditions for which a stable A-rich liquid phase is in thermal equilibrium with the vapor phase. The B-rich liquid is metastable.…
Pattern formation in soft, active, and biological matter is described by two ostensibly distinct continuum frameworks: phase-field theories driven by chemical-potential gradients, and mass-conserving reaction-diffusion (McRD) dynamics…
Using a carefully justified development of Debye-Huckel theory for highly asymmetric electrolytes, one finds that a region of expanded phase instability, or miscibility gap, can appear for charge-stabilised colloidal suspensions at high…
We study structural and thermophysical properties of a one-dimensional classical fluid made of penetrable spheres interacting via an attractive square-well potential. Penetrability of the spheres is enforced by reducing from infinite to…
We perform a study of the interfacial properties of a model suspension of hard sphere colloids with diameter $\sigma_c$ and non-adsorbing ideal polymer coils with diameter $\sigma_p$. For the mixture in contact with a planar hard wall, we…
We present path integral ground state (PIGS) quantum Monte Carlo calculations for the ground state ($T = 0$) properties of repulsively interacting bosons in a three-dimensional external double well potential over a range of interaction…
A simulation model is presented, comprising elastic spheres with a short range attraction. Besides conservative forces, radial- and shear friction, and radial noise are added. The model can be used to simulate colloids, granular solids and…
We carried out three-dimensional simulations, with about 1.4 million particles, of phase segregation in a low density binary fluid mixture, described mesoscopically by energy and momentum conserving Boltzmann-Vlasov equations. Using a…
Motility-Induced Phase Separation (MIPS) is a distinctive phenomenon in active matter that arises from its inherent non-equilibrium nature. Despite recent progress in understanding MIPS in dry active systems, it has been debated whether…
We study the equilibrium properties of a single flexible homopolymers where consecutive monomers are represented by impenetrable hard spherical beads tangential to each other, and non-consecutive monomers interact via a square-well…