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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

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 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

Structural defects are ubiquitous in condensed matter, and not always a nuisance. For example, they underlie phenomena such as Anderson localization and hyperuniformity, and they are now being exploited to engineer novel materials. Here, we…

We use inverse methods of statistical mechanics to explore trade-offs associated with designing interactions to stabilize self-assembled structures against changes in density or temperature. Specifically, we find isotropic,convex-repulsive…

Soft Condensed Matter · Physics 2018-01-10 William D. Piñeros , Michael Baldea , Thomas M. Truskett

Using large deviation theory and principles of stochastic optimal control, we show that rare molecular dynamics trajectories conditioned on assembling a specific target structure encode a set of interactions and external forces that lead to…

Soft Condensed Matter · Physics 2021-01-14 Avishek Das , David T. Limmer

The design space for a self-assembled multicomponent objects ranges from a solution in which every building block is unique to one with the minimum number of distinct building blocks that unambiguously define the target structure. Using a…

Soft Condensed Matter · Physics 2023-03-13 Joakim Bohlin , Andrew J. Turberfield , Ard A. Louis , Petr Šulc

The self-assembly of anisotropic building blocks into complex spatial architectures is an important design strategy in material science but the mechanisms by which the anisotropic interactions influence the early-stage growth and formation…

Soft Condensed Matter · Physics 2026-05-05 Dillip Kumar Mohapatra , Teun W. J. Verouden , Janne-Mieke Meijer

One of the fundamental goals of nanotechnology is to exploit selective and directional interactions between molecules to design particles that self-assemble into desired structures, from capsids, to nano-clusters, to fully formed crystals…

Soft Condensed Matter · Physics 2020-09-16 Flavio Romano , John Russo , Lukáš Kroc , Petr Šulc

In equilibrium self-assembly, microscopic building blocks spontaneously self-organize into stable structures as dictated by their interaction potentials, which limits the accessible structural features to those that correspond to global…

Soft Condensed Matter · Physics 2026-04-17 Pepijn G. Moerman , Chenghung Chou , Thomas E. Videbæk , W. Benjamin Rogers , Rebecca Schulman

In this letter, we develop a framework to study the mechanical response of athermal amorphous solids via a coupling of mesoscale and microscopic models. Using measurements of coarse grained quantities from simulations of dense disordered…

Soft Condensed Matter · Physics 2021-04-07 Chen Liu , Suman Dutta , Pinaki Chaudhuri , Kirsten Martens

Auxetic materials are characterized by a negative Poisson's ratio, $\mathrm{\nu}$. As the Poisson's ratio becomes negative and approaches the lower isotropic mechanical limit of $\mathrm{\nu = -1}$, materials show enhanced resistance to…

Soft Condensed Matter · Physics 2023-11-08 Daniel R. Reid , Nidhi Pashine , Alec S. Bowen , Sidney R. Nagel , Juan J. de Pablo

Controlling the topology of structures self-assembled from a set of heterogeneous building blocks is highly desirable for many applications, but is poorly understood theoretically. Here we show that the thermodynamic theory of self-assembly…

Soft Condensed Matter · Physics 2021-03-04 Andrei A. Klishin , Michael P. Brenner

Peridynamics provides a versatile tool for fracture modelling in materials where fracture pathways cannot be predicted beforehand, but must be envisaged as an emergent features of the deformation process. One class of materials where this…

Materials Science · Physics 2025-12-18 Shucheta Shegufta , Michael Zaiser

Modern experimental methods enable the creation of self-assembly building blocks with tunable interactions, but optimally exploiting this tunability for the self-assembly of desired structures remains an important challenge. Many studies of…

Soft Condensed Matter · Physics 2025-07-10 Maximilian C. Hübl , Carl P. Goodrich

A challenge of molecular self-assembly is to understand how to design particles that self-assemble into a desired structure and not any of a potentially large number of undesired structures. Here we use simulation to show that a strategy of…

Statistical Mechanics · Physics 2017-02-27 Stephen Whitelam

Functional soft materials, comprising colloidal and molecular building blocks that self-organize into complex structures as a result of their tunable interactions, enable a wide array of technological applications. Inverse methods provide…

Soft Condensed Matter · Physics 2020-04-13 Zachary M. Sherman , Michael P. Howard , Beth A. Lindquist , Ryan B. Jadrich , Thomas M. Truskett

The goal of inverse self-assembly is to design inter-particle interactions capable of assembling the units into a desired target structure. The effective assembly of complex structures often requires the use of multiple components, each new…

Soft Condensed Matter · Physics 2023-11-08 Camilla Beneduce , Francesco Sciortino , Petr Sulc , John Russo

In this study, a new alternative model algorithm has been proposed for assembling amorphous structures, unifying the bosonic paradigm applicable at low temperatures with crystalline models relevant at room and higher temperatures. Physical…

Materials Science · Physics 2026-02-02 A. Berezner , M. Rybakov , M. Sidlyar , V. Fedorov

The main result of this work is a homogenization theorem via variational convergence for elastic materials with stiff checkerboard-type heterogeneities under the assumptions of physical growth and non-self-interpenetration. While the…

Analysis of PDEs · Mathematics 2023-03-29 Wolf-Patrick Düll , Dominik Engl , Carolin Kreisbeck