Related papers: Dynamics of semi-flexible polymer solutions in the…
We present a Generalized Langevin Equation for the dynamics of interacting semiflexible polymer chains, undergoing slow cooperative dynamics. The calculated Gaussian intermolecular center-of-mass and monomer potentials, wich enter the GLE,…
The mechanics of complex soft matter often cannot be understood in the classical physical frame of flexible polymers or rigid rods. The underlying constituents are semiflexible polymers, whose finite bending stiffness ($\kappa$) leads to…
The scaling of the bond-bond correlation function $C(s)$ along linear polymer chains is investigated with respect to the curvilinear distance, $s$, along the flexible chain and the monomer density, $\rho$, via Monte Carlo and molecular…
Relations between static and dynamic viscoelastic responses in gels can be very elucidating and may provide useful tools to study the behavior of bio-materials such as protein hydrogels. An important example comes from the viscoelasticity…
Polymer gels such as jellies and soft contact lenses are soft solids consisting of three-dimensional polymer networks swollen with a large amount of solvent. For approximately 80 years, the swelling of polymer gels has been described using…
We use discontinuous molecular dynamics and grand-canonical transition-matrix Monte Carlo simulations to explore how confinement between parallel hard walls modifies the relationships between packing fraction, self-diffusivity, partial…
From glycosylated cell surfaces to sterically stabilized liposomes, polymers attached to membranes attract biological and therapeutic interest. Can the scaling laws of polymer "brushes" describe the physical properties of these coats? We…
The mean spherical approximation (MSA) can be solved semi-analytically for the Gaussian core model (GCM) and yields - rather surprisingly - exactly the same expressions for the energy and the virial equations. Taking advantage of this…
We carry out the asymptotic analysis of repulsive ensembles of N particles which are discrete analogues of continuous 1d log-gases or beta-ensembles of random matrix theory. The ensembles that we study have several groups of particles which…
Motivated by results from an earlier Brownian Dynamics (BD) simulation for the collapse of a single, stiff polymer in a poor solvent [B. Schnurr, F. C. MacKintosh, and D. R. M. Williams, Europhys. Lett. 51 (3), 279 (2000)] we calculate the…
In recent years, molecular dynamics (MD) simulations have emerged as a pivotal tool for understanding the structure, dynamics, and phase behavior in charged soft matter systems. To explore phenomena across greater length and time scales in…
This paper proposes a new boundary integral equation (BIE) methodology based on the perfectly matched layer (PML) truncation technique for solving the electromagnetic scattering problems in a multi-layered medium. Instead of using the…
This work performs the convergence analysis of the polytopal nodal discretisation of contact-mechanics (with Tresca friction) recently introduced in [18] in the framework of poro-elastic models in fractured porous media. The scheme is based…
We report on the linear viscoelastic properties of mixtures comprising multiarm star (as model soft colloids) and long linear chain homopolymers in a good solvent. In contrast to earlier works, we investigated symmetric mixtures (with a…
End member analysis (EMA) unmixes grain size distribution (GSD) data into a mixture of end members (EMs), thus helping understand sediment provenance and depositional regimes and processes. In highly mixed data sets, however, many EMA…
We study, via DEM simulations, the apparent mass $m$ and loss factor $\eta$ of particle dampers (PD) attached to a vertically driven, single degree of freedom mechanical system. Although many studies focus on $\eta$, less work has been…
The elastic collision between two H-like atoms utilizing an ab-initio static-exchange model (SEM) in the center of mass (CM) frame considering the system as a four-body Coulomb problem where all the Coulomb interaction terms in the direct…
Mixture of Experts (MoE) models have emerged as a primary solution for reducing the computational cost of Large Language Models. In this work, we analyze their scaling properties, incorporating an expanded range of variables. Specifically,…
A strategy is developed for generating equilibrated high molecular-weight polymer melts described with microscopic detail by sequentially backmapping coarse-grained (CG) configurations. The microscopic test model is generic but retains…
In this paper, the first large-scale application of multiscale-spectral generalized finite element methods (MS-GFEM) to composite aero-structures is presented. The crucial novelty lies in the introduction of A-harmonicity in the local…