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The complexity of biomolecular interactions necessitates advanced methodologies to accurately capture their behavior in solution. In this work, we focus on monoclonal antibodies and adopt a multi-scale coarse-graining strategy for their…

In this paper we propose a nonlinear elasticity model of macromolecular conformational change (deformation) induced by electrostatic forces generated by an implicit solvation model. The Poisson-Boltzmann equation for the electrostatic…

Analysis of PDEs · Mathematics 2010-01-12 Yongcheng Zhou , Michael Holst , James Andrew McCammon

The Landau-de Gennes free energy is used to study theoretically the interaction of parallel cylindrical colloidal particles trapped at a nematic-isotropic interface. We find that the effective interaction potential is non-monotonic. The…

Soft Condensed Matter · Physics 2015-06-24 D. Andrienko , M. Tasinkevych , S. Dietrich

The electric double layer structure in an electrolyte close to a solid substrate near the three-phase contact line is approximated by considering the linearized Poisson-Boltzmann equation in a wedge geometry. The mathematical approach…

Soft Condensed Matter · Physics 2012-09-03 Aaron Dörr , Steffen Hardt

A new computational method is presented for study suspensions of charged soft particles undergoing fluctuating hydrodynamic and electrostatic interactions. The proposed model is appropriate for polymers, proteins and porous particles…

Soft Condensed Matter · Physics 2015-04-14 Juan P. Hernandez-Ortiz , Juan J. de Pablo

We calculate the elastic field mediated interaction between macroscopic particles in a columnar hexagonal phase. The interaction is found to be long-ranged and non-central, with both attractive and repulsive parts. We show how the…

Soft Condensed Matter · Physics 2009-11-07 Ronojoy Adhikari

Charged colloidal particles trapped at an air--water interface are well known to form an ordered crystal, stabilized by a long ranged repulsion, the details of this repulsion remain something of a mystery, but all experiments performed to…

Soft Condensed Matter · Physics 2016-12-22 Duck-Gyu Lee , Pietro Cicuta , Dominic Vella

The general solution to the nonlinear Poisson-Boltzmann equation for two parallel charged plates, either inside a symmetric elecrolyte, or inside a 2q:-q asymmetric electrolyte, is found in terms of Weierstrass elliptic functions. From this…

Classical Physics · Physics 2010-10-26 Xiangjun Xing

Within the Poisson-Boltzmann (PB) approach electrolytes in contact with planar, spherical, and cylindrical electrodes are analyzed systematically. The dependences of their capacitance $C$ on the surface charge density $\sigma$ and the ionic…

Soft Condensed Matter · Physics 2017-04-24 Andreas Reindl , Markus Bier , S. Dietrich

We determine the capillary attraction and equilibrium configurations of particles trapped at a liquid-fluid interface due to the pinning of their contact-line. We calculate analytically the asymptotic interaction energy between two…

Soft Condensed Matter · Physics 2009-11-07 J. -B. Fournier , P. Galatola

We numerically solve the non-linear Poisson-Boltzmann equation for two cylinders confined by two parallel charged plates. The repulsive electrical double layer component of the cylinder pair potential is substantially reduced by confinement…

Soft Condensed Matter · Physics 2009-10-31 Mark Ospeck , Seth Fraden

The line tension of an electrolyte wetting a non-polar substrate is computed analytically and numerically. The results show that, depending on the value of the apparent contact angle, positive or negative line tension values may be…

Chemical Physics · Physics 2014-11-06 Aaron Dörr , Steffen Hardt

Hypothesis: The collective dynamics and self-assembly of colloids floating at a fluid/fluid interface is a balance between deterministic lateral interaction forces, viscous resistance to colloid motion along the surface and thermal…

Soft Condensed Matter · Physics 2022-10-05 Archit Dani , Mohsen Yeganeh , Charles Maldarelli

We derive expressions for determination of the stress and the elastic constants in systems composed of particles interacting via non-central two-body potentials as thermal averages of products of first and second partial derivatives of the…

Statistical Mechanics · Physics 2009-11-11 Michael Murat , Yacov Kantor

The dynamics of colloidal particles in potential energy landscapes have mainly been investigated theoretically. In contrast, here we discuss the experimental realization of potential energy landscapes with the help of light fields and the…

We study the thermodynamic behavior of nonpolar liquid mixtures in the vicinity of curved charged objects, such as electrodes or charged colloids. For small enough charge on the object, or equivalently, small potential, the…

Statistical Mechanics · Physics 2009-11-13 Gilad Marcus , Sela Samin , Yoav Tsori

Accurate interaction potentials between microscopic components such as colloidal particles or cells are crucial to understanding a range of processes, including colloidal crystallization, bacterial colony formation, and cancer metastasis.…

Long-range electrostatic interactions critically affect polar materials. However, state-of-the-art atomistic potentials, such as neural networks or Gaussian approximation potentials employed in large-scale simulations, often neglect the…

Materials Science · Physics 2024-12-03 Lorenzo Monacelli , Nicola Marzari

Understanding ion relaxation dynamics in overlapping electric double layers (EDLs) is critical for the development of efficient nanotechnology based electrochemical energy storage, electrochemomechanical energy conversion and…

Chemical Physics · Physics 2014-11-04 Vaibhav Thakore , James J. Hickman

We examine the effective counterion-mediated electrostatic interaction between two like-charged dielectric cylinders immersed in a continuous dielectric medium containing neutralizing mobile counterions. We focus on the effects of image…

Soft Condensed Matter · Physics 2015-05-18 Matej Kanduc , Ali Naji , Rudolf Podgornik