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Related papers: Programmable patchy particles for materials design

200 papers

The hallmark feature of polymorphic systems is their ability to assemble into many possible structures at the same thermodynamic state. Designer polymorphic materials can in principle be engineered via programmable self-assembly, but the…

Soft Condensed Matter · Physics 2025-05-23 Fan Chen , William M. Jacobs

Designing physical artifacts that serve a purpose - such as tools and other functional structures - is central to engineering as well as everyday human behavior. Though automating design has tremendous promise, general-purpose methods do…

Shortcut engineering consists of a class of approaches to rapidly manipulate physical systems by means of specially designed external controls. In this Letter, we apply these approaches to run-and-tumble particles, which are designed to…

Statistical Mechanics · Physics 2023-04-13 Adam G. Frim , Michael R. DeWeese

Porous materials are relevant for a broad range of technologies from catalysis and filtration, to tissue engineering and lightweight structures. Controlling the porosity of these materials over multiple length scales often leads to enticing…

Soft Condensed Matter · Physics 2021-08-10 Nicole Kleger , Clara Minas , Patrick Bosshard , Iacopo Mattich , Kunal Masania , André R. Studart

In this paper, we describe the unification and extension of multiple kinematic theories on the advection of colloidal particles through periodic obstacle lattices of arbitrary geometry and infinitesimally small obstacle size. We focus…

Computational Physics · Physics 2020-03-25 Arnaldo Rodriguez-Gonzalez , Jason P. Gleghorn , Brian J. Kirby

Open structures can display a number of unusual properties, including a negative Poisson's ratio, negative thermal expansion, and holographic elasticity, and have many interesting applications in engineering. However, it is a grand…

Soft Condensed Matter · Physics 2015-10-14 D. Zeb Rocklin , Xiaoming Mao

We study the ordered equilibrium structures of patchy particles where the patches are located on the surface of the colloid such that they form a regular tetrahedron. Using optimization techniques based on ideas of evolutionary algorithms…

Soft Condensed Matter · Physics 2015-06-05 G. Doppelbauer , E. G. Noya , E. Bianchi , G. Kahl

Modeling folding surfaces with nonzero thickness is of practical interest for mechanical engineering. There are many existing approaches that account for material thickness in folding applications. We propose a new systematic and broadly…

Computational Geometry · Computer Science 2016-01-22 Jason S. Ku , Erik D. Demaine

Particles with directional interactions are promising building blocks for new functional materials and may serve as models for biological structures. Mutually attractive nanoparticles that are deformable due to flexible surface groups, for…

Soft Condensed Matter · Physics 2016-07-19 Chris H. J. Evers , Jurriaan A. Luiken , Peter G. Bolhuis , Willem K. Kegel

We envision programmable matter as a system of nano-scale agents (called particles) with very limited computational capabilities that move and compute collectively to achieve a desired goal. We use the geometric amoebot model as our…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-08-15 Joshua J. Daymude , Robert Gmyr , Kristian Hinnenthal , Irina Kostitsyna , Christian Scheideler , Andréa W. Richa

We report on a lattice based algorithm, completely vectorized for molecular dynamics simulations. Its algorithmic complexity is of the order $O(N)$, where $N$ is the number of particles. The algorithm works very effectively when the…

comp-gas · Physics 2019-06-05 V. Buchholtz , T. Pöschel

Soft stretchable materials are key for arising technologies such as stretchable electronics or batteries, smart textiles, biomedical devices, tissue engineering and soft robotics. Recent attempts to design such materials, via e.g.…

Advances in scaling down heterostructures and having an improved interface quality together with atomically-thin two-dimensional materials suggest a novel approach to systematically design materials. A given material can be transformed…

Materials Science · Physics 2018-05-22 Igor Zutic , Alex Matos-Abiague , Benedikt Scharf , Hanan Dery , Kirill Belashchenko

An emerging theme across many domains of science and engineering is materials that change shape, often dramatically. Determining their structure involves solving a shape optimization problem where a given energy functional is minimized with…

We study the structural and thermodynamic properties of patchy particle liquids, with a special focus on the role of "color", i.e. specific interactions between individual patches. A possible experimental realization of such "chromatic"…

Soft Condensed Matter · Physics 2015-07-22 Oleg A. Vasilyev , Boris A. Klumov , Alexei V. Tkachenko

With the development of low order scaling methods for performing Kohn-Sham Density Functional Theory, it is now possible to perform fully quantum mechanical calculations of systems containing tens of thousands of atoms. However, with an…

Chemical Physics · Physics 2020-04-03 William Dawson , Stephan Mohr , Laura E. Ratcliff , Takahito Nakajima , Luigi Genovese

Building structures with hierarchical order through the self-assembly of smaller blocks is not only a prerogative of nature, but also a strategy to design artificial materials with tailored functions. We explore in simulation the…

Soft Condensed Matter · Physics 2020-02-17 Santi Prestipino , Domenico Gazzillo , Gianmarco Munaò , Dino Costa

In this article, a novel explicit approach for designing complex thin-walled structures based on the Moving Morphable Component (MMC) method is proposed, which provides a unified framework to systematically address various design issues,…

Graphics · Computer Science 2023-10-24 Wendong Huo , Chang Liu , Yunpu Liu , Zongliang Du , Weisheng Zhang , Xu Guo

Mutually repelling particles form spontaneously ordered clusters when forced into confinement. The clusters may adopt similar spatial arrangements even if the underlying particle interactions are contrastingly different. Here we demonstrate…

Soft Condensed Matter · Physics 2026-02-13 P. D. S. de Lima , R. De La Cour , K. Gaff , J. M. de Araújo , S. J. Cox , M. S. Ferreira , S. Hutzler

Flexibility governs the many properties of materials and is crucial for the function of proteins and biopolymers. However, how the self-assembly of flexibly bonded particles can lead to larger structures with global reconfigurability is…

Soft Condensed Matter · Physics 2024-06-28 Yogesh Shelke , Daniel J. G. Pearce , Daniela J. Kraft