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The self-assembly of molecules at surfaces can be caused by a range of physical mechanisms. Assembly can be driven by intermolecular forces, or molecule-surface forces, or both; it can result in structures that are in equilibrium or that…

Statistical Mechanics · Physics 2016-03-22 Stephen Whitelam

The field of complex self-assembly is moving toward the design of multi-particle structures consisting of thousands of distinct building blocks. To exploit the potential benefits of structures with such `addressable complexity,' we need to…

Soft Condensed Matter · Physics 2015-06-02 William M. Jacobs , Aleks Reinhardt , Daan Frenkel

Self-assembly is a phenomenon observed in nature at all scales where autonomous entities build complex structures, without external influences nor centralised master plan. Modelling such entities and programming correct interactions among…

Computational Complexity · Computer Science 2013-09-26 German Terrazas , Hector Zenil , Natalio Krasnogor

A vital constituent of a virus is its protein shell, called the viral capsid, that encapsulates and hence provides protection for the viral genome. Viral capsids are usually spherical, and for a significant number of viruses exhibit overall…

Biomolecules · Quantitative Biology 2009-11-11 T. Keef , A. Taormina , R. Twarock

In contrast to extensively studied defects in traditional materials, we report here for the first time a systematic investigation of the formation mechanism of intrinsic defects in self-assembled peptide nanostructures. The Monte Carlo…

Soft Condensed Matter · Physics 2015-11-11 Li Deng , Yurong Zhao , Hai Xu , Yanting Wang

Multiple dissipative self-assembly protocols designed to create novel structures or to reduce kinetic traps have recently emerged. Specifically, temporal oscillations of particle interactions have been shown effective at both aims, but…

Soft Condensed Matter · Physics 2024-10-25 Jessica K. Niblo , Jacob R. Swartley , Zhongmin Zhang , Kateri H. DuBay

Motivated by observations of heterogeneous domain structure on the surface of cells, we consider a minimal model to describe the dynamics of phase separation on the surface of a spherical particle. Finite-size effects on the curved particle…

Soft Condensed Matter · Physics 2016-07-13 Matthias C. Bott , Joseph M. Brader

The folding of a polypeptide is an example of the cooperative effects of the amino-acid residues. Of recent interest is how a secondary structure, such as a helix, spontaneously forms during the collapse of a peptide from an initial…

Soft Condensed Matter · Physics 2016-08-31 Josh P. Kemp , Jeff Z. Y. Chen

We introduce a simple "patchy particle" model to study the thermodynamics and dynamics of self-assembly of homomeric protein complexes. Our calculations allow us to rationalize recent results for dihedral complexes. Namely, why evolution of…

Understanding the relationship between colloidal building block shape and self-assembled material structure is important for the development of novel materials by self-assembly. In this regard, colloidal superballs are unique building…

Soft Condensed Matter · Physics 2021-12-16 Sarah N. Schyck , Janne-Mieke Meijer , Lucia Baldauf , Peter Schall , Andrei V. Petukhov , Laura Rossi

We present fast simulation methods for the self-assembly of complex shapes in two dimensions. The shapes are modeled via a general boundary curve and interact via a standard volume term promoting overlap and an interpenetration penalty. To…

Computational Physics · Physics 2023-12-11 Lukas Mayrhofer , Myfanwy E. Evans , Gero Friesecke

Self-assembly of granular particles is of great interest in both applied and basic research. It is commonly observed that when randomly packed into a container, granular particles form disordered structures like glass. As the particles are…

Soft Condensed Matter · Physics 2025-01-20 Reza Amirifar , Kejun Dong , Aibing Yu

We apply Landau theory of crystallization to explain and to classify the capsid structures of small viruses with spherical topology and icosahedral symmetry. We develop an explicit method which predicts the positions of centers of mass for…

Soft Condensed Matter · Physics 2009-11-11 V. L. Lorman , S. B. Rochal

Models of bacterial growth tend to be `irreversible', allowing for the number of bacteria in a colony to increase but not to decrease. By contrast, models of molecular self-assembly are usually `reversible', allowing for addition and…

Statistical Mechanics · Physics 2017-10-18 Katherine Klymko , Juan P. Garrahan , Stephen Whitelam

Self-assembly is a ubiquitous process in synthetic and biological systems, broadly defined as the spontaneous organization of multiple subunits (e.g. macromolecules, particles) into ordered multi-unit structures. The vast majority of…

Soft Condensed Matter · Physics 2023-08-08 Michael F. Hagan , Gregory M. Grason

We consider the self-assembly of composite structures from a group of nanocomponents, each consisting of particles within an $N$-atom system. Self-assembly pathways and rates for nanocomposites are derived via a multiscale analysis of the…

Biological Physics · Physics 2014-01-06 Stephen Pankavich , Peter Ortoleva

Molecular self-assembly on surfaces constitutes a powerful method for creating tailor-made surface structures with dedicated functionalities. Varying the intermolecular interactions allows for tuning the resulting molecular structures in a…

Mesoscale and Nanoscale Physics · Physics 2020-07-24 Christoph Schiel , Maximilian Vogtland , Ralf Bechstein , Angelika Kühnle , Philipp Maass

We use numerical simulations to show how noninteracting hard particles binding to a deformable elastic shell may self-assemble into a variety of linear patterns. This is a result of the nontrivial elastic response to deformations of shells.…

Soft Condensed Matter · Physics 2011-02-25 Andela Šarić , Angelo Cacciuto

Cluster growth in a coagulating system of active particles (such as microswimmers in a solvent) is studied by theory and simulation. In contrast to passive systems, the net velocity of a cluster can have various scalings dependent on the…

Soft Condensed Matter · Physics 2014-03-21 P. Cremer , H. Löwen

The cytoplasm is a heterogeneous mixture containing many types of proteins that self-assemble into a wide variety of complexes. The accuracy and speed of cytoplasmic self-assembly is astonishing because it involves the correct…

Statistical Mechanics · Physics 2025-11-21 Félix Benoist , Pablo Sartori
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