Daniel M. Sussman

Making the cut: lattice kirigami rules.

In this Letter we explore and develop a simple set of rules that apply to cutting, pasting, and folding honeycomb lattices. We consider origami-like structures that are extrinsically flat away from zero-dimensional sources of Gaussian curvature and one-dimensional sources of mean curvature, and our cutting and pasting rules maintain the intrinsic bond lengths on both the lattice and its dual lattice. We find that a small set of rules is allowed providing a framework for exploring and building kirigami—folding, cutting, and pasting the edges of paper.

Algorithmic lattice kirigami: A route to pluripotent materials

Significance How can flat surfaces be transformed into useful three-dimensional structures? Recent research on origami techniques has led to algorithmic solutions to the inverse design problem of prescribing a set of folds to form a desired target surface. The fold patterns generated are often very complex and so require a convoluted series of deformations from the flat to the folded state, making it difficult to implement these designs in self-assembling systems. We propose a design paradigm that employs lattice-based kirigami elements, combining the folding of origami with cutting and regluing techniques. We demonstrate that this leads to a pluripotent design in which a single kirigami pattern can be robustly manipulated into a variety of three-dimensional shapes. We use a regular arrangement of kirigami elements to demonstrate an inverse design paradigm for folding a flat surface into complex target configurations. We first present a scheme using arrays of disclination defect pairs on the dual to the honeycomb lattice; by arranging these defect pairs properly with respect to each other and choosing an appropriate fold pattern a target stepped surface can be designed. We then present a more general method that specifies a fixed lattice of kirigami cuts to be performed on a flat sheet. This single pluripotent lattice of cuts permits a wide variety of target surfaces to be programmed into the sheet by varying the folding directions.

Topological boundary modes in jammed matter

Granular matter at the jamming transition is poised on the brink of mechanical stability, and hence it is possible that these random systems have topologically protected surface phonons. Studying two model systems for jammed matter, we find states that exhibit distinct mechanical topological classes, protected surface modes, and ubiquitous Weyl points. The detailed statistics of the boundary modes shed surprising light on the properties of the jamming critical point and help inform a common theoretical description of the detailed features of the transition.

Entangled polymer chain melts: Orientation and deformation dependent tube confinement and interchain entanglement elasticity

The phenomenological reptation-tube model is based on a single chain perspective and was originally proposed to explain the remarkable viscoelastic properties of dense entangled polymer liquids. However, simulations over the last two decades have revealed a fundamental tension in the model: it assumes that bonded, single-chain backbone stresses are the sole polymer contribution to the slowly relaxing component of stress storage and elasticity, but mounting evidence suggests that at the local level of forces it is interchain contributions that dominate, as in simple liquids. Here we show that based on a chain model constructed at the level of self-consistently determined primitive paths, an explicit force-level treatment of the correlated intermolecular contributions to stress that arise from chain uncrossability can essentially quantitatively predict the entanglement plateau modulus associated with the soft rubbery response of polymer liquids. Analogies to transient localization and elasticity in glass-forming liquids are identified. Predictions for the effect of macroscopic deformation and anisotropic orientational order on the tube diameter are also made. Based on the interchain stress perspective the theory reproduces some aspects of the rheological response to shear and extensional deformations associated with the single chain tube model.

Communication: Effects of stress on the tube confinement potential and dynamics of topologically entangled rod fluids

A microscopic theory for the effect of applied stress on the transverse topological confinement potential and slow dynamics of heavily entangled rigid rods is presented. The confining entanglement force localizing a polymer in a tube is predicted to have a finite strength. As a consequence, three regimes of terminal relaxation behavior are predicted with increasing stress: accelerated reptation due to tube widening (dilation), relaxation via deformation-assisted activated transverse barrier hopping, and complete destruction of the lateral tube constraints corresponding to microscopic yielding or a disentanglement transition.

Additive lattice kirigami

We generalize lattice kirigami by adding material inside cuts and rejoining material across new families of cuts in a sheet. Kirigami uses bending, folding, cutting, and pasting to create complex three-dimensional (3D) structures from a flat sheet. In the case of lattice kirigami, this cutting and rejoining introduces defects into an underlying 2D lattice in the form of points of nonzero Gaussian curvature. A set of simple rules was previously used to generate a wide variety of stepped structures; we now pare back these rules to their minimum. This allows us to describe a set of techniques that unify a wide variety of cut-and-paste actions under the rubric of lattice kirigami, including adding new material and rejoining material across arbitrary cuts in the sheet. We also explore the use of more complex lattices and the different structures that consequently arise. Regardless of the choice of lattice, creating complex structures may require multiple overlapping kirigami cuts, where subsequent cuts are not performed on a locally flat lattice. Our additive kirigami method describes such cuts, providing a simple methodology and a set of techniques to build a huge variety of complex 3D shapes.

Theory of correlated two-particle activated glassy dynamics: General formulation and heterogeneous structural relaxation in hard sphere fluids

We generalize the nonlinear Langevin equation theory of activated single particle dynamics to describe the correlated motion of two tagged spherical particles in a glass- or gel-forming fluid as a function of their initial separation. The theory is built on the concept of a two-dimensional dynamic free energy surface which quantifies the forces on two particles moving in a cooperative manner. For the hard sphere fluid, above a threshold volume fraction we generically find two relaxation channels corresponding largely, but not exclusively, to a center-of-mass-like displacement and a radial separation of the two tagged particles. The entropic barriers and mean first passage times are computed and found to systematically vary with volume fraction and initial particle separation; both oscillate as a function of the latter in a manner related to the equilibrium pair correlation function. A dynamic correlation length is estimated as the length scale beyond which the two-particle activated dynamics becomes uncorrelated in space and time, and is found to modestly grow with increasing mean relaxation time. The theory is also applied to a simplified model of cage escape, the elementary step of structural relaxation. Predictions for characteristic relaxation times, translation-relaxation decoupling, and stretched-exponential decay of time correlation functions are obtained. A novel mechanism for understanding why strong decoupling emerges in the activated regime, but stretched nonexponential time correlation functions do not change shape as the mean relaxation time grows, is presented and favorably compared with experiment. The theory may serve as a starting point for constructing a predictive model of multiple correlated caging and hopping (forward and backward) events of a pair of tagged particles.

cellGPU: Massively parallel simulations of dynamic vertex models

Abstract Vertex models represent confluent tissue by polygonal or polyhedral tilings of space, with the individual cells interacting via force laws that depend on both the geometry of the cells and the topology of the tessellation. This dependence on the connectivity of the cellular network introduces several complications to performing molecular-dynamics-like simulations of vertex models, and in particular makes parallelizing the simulations difficult. cellGPU addresses this difficulty and lays the foundation for massively parallelized, GPU-based simulations of these models. This article discusses its implementation for a pair of two-dimensional models, and compares the typical performance that can be expected between running cellGPU entirely on the CPU versus its performance when running on a range of commercial and server-grade graphics cards. By implementing the calculation of topological changes and forces on cells in a highly parallelizable fashion, cellGPU enables researchers to simulate time- and length-scales previously inaccessible via existing single-threaded CPU implementations. Program summary Program Title: cellGPU Program Files doi: http://dx.doi.org/10.17632/6j2cj29t3r.1 Licensing provisions: MIT Programming language: CUDA/C++ Nature of problem: Simulations of off-lattice “vertex models” of cells, in which the interaction forces depend on both the geometry and the topology of the cellular aggregate. Solution method: Highly parallelized GPU-accelerated dynamical simulations in which the force calculations and the topological features can be handled on either the CPU or GPU. Additional comments: The code is hosted at https://gitlab.com/dmsussman/cellGPU , with documentation additionally maintained at http://dmsussman.gitlab.io/cellGPUdocumentation

Spatial distribution of entanglements in thin free-standing films.

We simulate entangled linear polymers in free-standing thin film geometries where the confining dimension is on the same scale as or smaller than the bulk chain dimensions. We compare both film-averaged and layer-resolved, spatially inhomogeneous measures of the polymer structure and entanglement network with theoretical models. We find that these properties are controlled by the ratio of both chain- and entanglement-strand length scales to the film thickness. While the film-averaged entanglement properties can be accurately predicted, we identify outstanding challenges in understanding the spatially resolved character of the heterogeneities in the entanglement network, particularly when the scale of both the entanglement strand and the chain end-to-end vector is comparable to or smaller than the film thickness.

Geometry of the cholesteric phase

We propose a construction of a cholesteric pitch axis for an arbitrary nematic director field as an eigenvalue problem. Our definition leads to a Frenet-Serret description of an orthonormal triad determined by this axis, the director, and the mutually perpendicular direction. With this tool, we are able to compare defect structures in cholesterics, biaxial nematics, and smectics. Though they all have similar ground state manifolds, the defect structures are different and cannot, in general, be translated from one phase to the other.