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We present a new simulation technique to study systems of polymers functionalized by reactive sites that bind/unbind forming reversible linkages. Functionalized polymers feature self-assembly and responsive properties that are unmatched by…

Soft Condensed Matter · Physics 2018-04-18 Bernardo Oyarzún , Bortolo Matteo Mognetti

We present a simple model describing the assembly and disassembly of heteropolymers consisting of two types of monomers $A$ and $B$. We prove that no matter how we manipulate the concentrations of $A$ and $B$, it takes longer than the…

Statistical Mechanics · Physics 2022-06-29 Ikumi Kobayashi , Shin-ichi Sasa

In this paper, we investigate a stochastic model describing the time evolution of a polymerization process. A polymer is a macro-molecule resulting from the aggregation of several elementary sub-units called monomers. Polymers can grow by…

Probability · Mathematics 2018-08-24 Philippe Robert , Wen Sun

We present a mechanism and show two variants of a method where the average diameter of spontaneously (barrier-free) assembled single component unilamellar liposomes is intrinsic, in agreement with Helfrich's theory. It depends only on the…

Soft Condensed Matter · Physics 2015-05-12 P. Sunthar , Sopan M. Phapal

Soft composite solids are made of inclusions dispersed within soft matrices. They are ubiquitous in nature and form the basis of many biological tissues. In the field of materials science, synthetic soft composites are promising candidates…

Soft Condensed Matter · Physics 2024-06-14 Yiqiu Zhao , Haitao Hu , Yulu Huang , Hanqing Liu , Caishan Yan , Chang Xu , Rui Zhang , Yifan Wang , Qin Xu

Parameterized tight-binding models fit to first principles calculations can provide an efficient and accurate quantum mechanical method for predicting properties of molecules and solids. However, well-tested parameter sets are generally…

Materials Science · Physics 2023-04-28 Kevin F. Garrity , Kamal Choudhary

We consider the integrable family of symmetric boundary-driven interacting particle systems that arise from the non-compact XXX Heisenberg model in one dimension with open boundaries. In contrast to the well-known symmetric exclusion…

Mathematical Physics · Physics 2024-05-27 Rouven Frassek , Cristian Giardinà

We investigate the global existence of weak solutions to a free boundary problem governing the evolution of finitely extensible bead-spring chains in dilute polymers. We construct weak solutions of the two-phase model by performing the…

Analysis of PDEs · Mathematics 2018-11-15 Donatella Donatelli , Konstantina Trivisa

The self-assembly of hard polyhedral particles confined to a flat interface is studied using Monte Carlo simulations. The particles are pinned to the interface by restricting their movement in the direction perpendicular to it while…

Soft Condensed Matter · Physics 2014-12-02 V. Thapar , T. Hanrath , F. A. Escobedo

Topologically constrained genome-like polymers often double-fold into tree-like configurations. Here we calculate the exact number of tightly double-folded configurations available to a ring polymer in ideal conditions. For this purpose, we…

Soft Condensed Matter · Physics 2026-03-02 Pieter H. W. van der Hoek , Angelo Rosa , Elham Ghobadpour , Ralf Everaers

Conformation-dependent design of polymer sequences can be considered as a tool to control macromolecular self-assembly. We consider the monomer unit sequences created via the modification of polymers in a homogeneous melt in accordance with…

Soft Condensed Matter · Physics 2021-07-07 Elena N. Govorun , Ruslan M. Shupanov , Sophia A. Pavlenko , Alexei R. Khokhlov

A lattice model with soft repulsion followed by attraction is developed for a monolayer of hybrid core-shell particles self-assembling at an interface. The model is solved exactly in one dimension. One, two or three periodic structures and…

Soft Condensed Matter · Physics 2017-01-03 Alina Ciach , Jakub Pekalski

We propose a general framework for solving inverse self-assembly problems, i.e. designing interactions between elementary units such that they assemble spontaneously into a predetermined structure. Our approach uses patchy particles as…

Soft Condensed Matter · Physics 2022-07-13 John Russo , Flavio Romano , Lukas Kroc , Francesco Sciortino , Lorenzo Rovigatti , Petr Sulc

We study the collapse of two-dimensional polymers, via an O($n$) model on the square lattice that allows for dilution, bending rigidity and short-range monomer attractions. This model contains two candidates for the theta point,…

Mathematical Physics · Physics 2016-09-12 Eric Vernier , Jesper Lykke Jacobsen , Hubert Saleur

Consider a sequence of Gibbsian line ensembles, whose lowest labeled curves (i.e., the edge) have tight one-point marginals. Then, given certain technical assumptions on the nature of the Gibbs property and underlying random walk measure,…

Probability · Mathematics 2022-01-26 Guillaume Barraquand , Ivan Corwin , Evgeni Dimitrov

A major goal in nanoscience and nanotechnology is the self-assembly of any desired complex structure with a system of particles interacting through simple potentials. To achieve this objective, intense experimental and theoretical efforts…

Soft Condensed Matter · Physics 2014-09-11 Daniel Salgado-Blanco , Carlos I. Mendoza

In this work we derive explicit entropy bounds for two classes of closed self-shrinkers: the class of embedded closed self-shrinkers recently constructed in arXiv:2207.04851 using isoparametric foliations of spheres, and the class of…

Differential Geometry · Mathematics 2023-06-22 John Man Shun Ma , Ali Muhammad

We consider two simple models for the formation of polymers where at the initial time, each monomer has a certain number of potential links (called arms in the text) that are consumed when aggregations occur. Loosely speaking, this imposes…

Mathematical Physics · Physics 2015-05-13 Jean Bertoin

In geometrically frustrated assemblies, equilibrium self-limitation manifests in the form of a minimum in the free energy per subunit at a finite, multi-subunit size which results from the competition between the elastic costs of…

Soft Condensed Matter · Physics 2023-08-15 Michael Wang , Gregory Grason

We prove a Pumping Lemma for the noncooperative abstract Tile Assembly Model, a model central to the theory of algorithmic self-assembly since the beginning of the field. This theory suggests, and our result proves, that small differences…

Computational Complexity · Computer Science 2020-02-11 Pierre-Étienne Meunier , Damien Regnault , Damien Woods