Related papers: Macroscopic forces in inhomogeneous polyelectrolyt…
Accurately predicting friction in sliding interfaces that contain third body wear particles is critical for engineering applications such as sliding movement in pistons, bearings, or metal forming. We present a hierarchical multiscale…
We formulate the continuum field equations and constitutive equations that govern deformation, stress, and electric current flow in a Li-ion half-cell. The model considers mass transport through the system, deformation and stress in the…
We study the stress distribution in a polymer brush material over a range of graft densities using molecular dynamics (MD) simulations and theory. Flexible polymer chains are treated as beads connected by nonlinear springs governed by a…
The density functional approach in the Kohn-Sham approximation is widely used to study properties of many-electron systems. Due to the nonlinearity of the Kohn-Sham equations, the general self-consistence searching method involves…
The purpose of this paper is to investigate the fundamental problem of the non-uniform subsonic motion of a point force and line forces in an unbounded, homogeneous, isotropic medium in analogy to the electromagnetic Li\'enard-Wiechert…
Drawing on the theory of quantum mechanical stress, we introduce the stress density in density functional theory. In analogy with the Chetty-Martin energy density, the stress density provides a spatial resolution of the contributions to the…
The formation of inter-polyelectrolyte complexes from the association of oppositely charged polymers in an electrolyte is studied. The charged polymers are linear oppositely charged polyelectrolytes, with possibly a neutral block. This…
Inertial lift forces are exploited within inertial microfluidic devices to position, segregate, and sort particles or droplets. However the forces and their focusing positions can currently only be predicted by numerical simulations, making…
We show that a small crystal trapped within a potential well and in contact with its own fluid, responds to large compressive stresses by a novel mechanism -- the transfer of complete lattice layers across the solid-fluid interface.…
For single-file translocations of a charged macromolecule through a narrow pore, the crucial step of arrival of an end at the pore suffers from free energy barriers, arising from changes in intrachain electrostatic interaction, distribution…
This study proposes a multi-field asymptotic homogenization for the analysis of thermo-piezoelectric materials with periodic microstructures. The effect of the microstructural heterogeneity is taken into account by means of periodic…
Electromechanical coupling through piezoelectric polymer chains allows the emission of organic molecules in active nanowires to be tuned. This effect is evidenced by highly bendable arrays of counter-ion dye-doped nanowires made of a…
We propose a system of conservation laws with relaxation source terms (i.e. balance laws) for non-isothermal viscoelastic flows of Maxwell fluids. The system is an extension of the polyconvex elastodynamics of hyperelastic bodies using…
We consider the interactions between two uncharged planar macroscopic surfaces immersed in an electrolyte solution which are induced by interfacial selectivity. These forces are taken into account by introducing a depletion free-energy…
We consider extensional flows of a dense layer of spheres in a viscous fluid and employ force and torque balances to determine the trajectory of particle pairs that contribute to the stress. In doing this, we use Stokesian dynamics…
A constitutive model is developed for the mechanical response of elastomers at finite strains. A polymer is treated as a network of linear chains linked by permanent (chemical crosslinks) and temporary (entanglements and van der Waals…
Structural and thermodynamic properties of the model solution containing charged oligomers and the equivalent number of counterions were studied by means of the canonical Monte Carlo simulation technique. The oligomers are represented as…
In the present work, we study the equilibrium conformations of linear polyelectrolytes tethered onto a spherical, oppositely charged core in equilibrium with an ionic reservoir of fixed concentration. Particular focus is placed on the…
We explore the mechanical response of a single polyelectrolyte chain under tension in good and poor solvents using a combination of simulation and theory. In poor solvents, where the equilibrium state of the chain is a collapsed globule, we…
Constitutive equations are developed for a polymer fluid, which is treated as a permanent network of strands bridged by junctions. The junctions are assumed to slide with respect to their reference positions under loading. Governing…