相关论文: Normal Modes of Rouse-Ham Symmetric Star Polymer M…

We consider a coarse-grained (CG) model with pairwise interactions, suitable to describe low-density solutions of star-branched polymers of functionality $f$. Each macromolecule is represented by a CG molecule with $(f+1)$ interaction…

We abstract the essential features of holographic dimer models, and develop several new applications of these models. First, semi-holographically coupling free band fermions to holographic dimers, we uncover novel phase transitions between…

The regular polyhedra have the highest order of 3D symmetries and are exceptionally at- tractive templates for (self)-assembly using minimal types of building blocks, from nano-cages and virus capsids to large scale constructions like glass…

Many models for chaotic systems consist of joining two integrable systems with incompatible constants of motion. The quantum counterparts of such models have a propagator which factorizes into two integrable parts. Each part can be…

By means of multicanonical computer simulations, we investigate thermodynamic properties of the aggregation of interacting semiflexible polymers. We analyze a mesoscopic bead-stick model, where nonbonded monomers interact via Lennard-Jones…

This paper presents a proposal of a rather new type of effective interatomic interaction for molecular dynamics and similar applications. The model consists of atoms with prescribed geometric arrangement of active orbitals, represented by…

We demonstrate that hierarchical backmapping strategies incorporating generic blob-based models can equilibrate melts of high-molecular-weight polymers, described with chemically specific, atomistic, models. The central idea behind these…

In this paper, we propose an approach to learn stable dynamical systems evolving on Riemannian manifolds. The approach leverages a data-efficient procedure to learn a diffeomorphic transformation that maps simple stable dynamical systems…

Semiflexible polymers in concentrated lyotropic solution are studied within a bead-spring model by molecular dynamics simulations, focusing on the emergence of a smectic A phase and its properties. We systematically vary the density of the…

In this work we propose a novel method to ensure important entropy inequalities are satisfied semi-discretely when constructing reduced order models (ROMs) on nonlinear reduced manifolds. We are in particular interested in ROMs of systems…

This work develops a low-dimensional nonlinear stochastic model of symmetry-breaking coherent structures from experimental measurements of a turbulent axisymmetric bluff body wake. Traditional model reduction methods decompose the field…

In aircraft design, structural optimization and uncertainty quantification concerning transonic aeroelastic issues are computationally impractical, because the iterative process requires great number of aeroelastic analysis. Emerging…

We consider conformation dynamics of a chain-like three-body bead-spring model, in which three point masses are connected in series by two springs and the conformation is defined by the bending angle between the two springs. Previous…

Using small-angle neutron scattering and liquid integral equation theory, we relate the structure factor of flexible dendrimers of 4th generation to their average shape. The shape is measured as a radial density profile of monomers…

In this work we used dissipative particle dynamics simulations to study the copolymerization process in the presence of spatial heterogeneities caused by incompatibility between polymerizing monomers. The polymer sequence details as well as…

We present the results of a quantitative study of the phase behavior of a model polymer chain with side spheres using two independent computer simulation techniques. We find that the mere addition of side spheres results in key…

We present an experimental setup to demonstrate normal modes and symmetry breaking in a two-dimensional pendulum. In our experiment we have used two modes of a single oscillator to demonstrate normal modes, as opposed to two single…

We study the segmental dynamics of poly(ethylene oxide) (PEO) from microscopic simulations in the neat polymer and a polymer electrolyte (PEO/LiBF$_4$) by analyzing the normal modes. We verify the applicability of the Rouse theory,…

The file is a Chapter from my review volume "Polymer Physics: Phenomenology of Polymeric Fluid Simulations". The chapter treats literature tests of the Rouse model, which is widely invoked as a description of polymer motion in melts. In…

We use a suite of high resolution molecular cloud simulations carried out with the moving mesh code Arepo to explore the nature of star-forming filaments. The simulated filaments are identified and categorised from column density maps in…