When a liquid freezes, a change in the local atomic structure marks the transition to the crystal. When a liquid is cooled to form a glass, however, no noticeable structural change marks the glass transition. Indeed, characteristic features of glassy dynamics that appear below an onset temperature, T 0 , [1-3] are qualitatively captured by mean field theory [4-6], which assumes uniform local structure at all temperatures. Even studies of more realistic systems have found only weak correlations between structure and dynamics [7][8][9][10][11]. This raises the question: is structure important to glassy dynamics in three dimensions? Here, we answer this question affirmatively by using machine learning methods to identify a new field, "softness?" which characterizes local structure and is strongly correlated with rearrangement dynamics. We find that the onset of glassy dynamics at T 0 is marked by the onset of correlations between softness (i.e. structure) and dynamics.Moreover, we use softness to construct a simple model of slow glassy relaxation that is in excellent agreement with our simulation results, showing that a theory of the evolution of softness in time would constitute a theory of glassy dynamics. ‡ Equal contribution.
We simulate and theoretically analyze the properties of entangled polymer melts confined in thin film and cylindrical geometries. Macromolecular-scale conformational changes are observed in our simulations: the average end-to-end vector is reduced normal to the confining surfaces and slightly extended parallel to them, and we find that the orientational distribution of the chain end-to-end vectors is transmitted to the primitive path entanglement strand level. Treating the chains as ideal random walks and the surfaces via a reflecting boundary condition we are able to accurately theoretically predict the anisotropic global and primitive-path level conformational changes. Combining this result with a recently developed microscopic theory for the dependence of the tube diameter on orientational order allows a priori predictions of how the number of entanglements decreases with confinement in a geometry-dependent manner. The theoretical results are in excellent agreement with our simulations.
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.
We formulate and apply a microscopic self-consistent theory for the dynamic transverse confinement field in solutions of zero-excluded-volume rods based solely on topological entanglements. In agreement with the phenomenological tube model, an infinitely deep potential is predicted. However, strong anharmonicities are found to qualitatively soften localization, in quantitative agreement with experiments on heavily entangled biopolymer solutions. Predictions are also made for the effect of rod alignment on the transverse diffusion constant, tube diameter, and confinement force.
Theory and modeling of glass transitions PACS 63.50.Lm -Vibrational states in amorphous solids PACS 61.20.Gy -Theory and models of liquid structure Abstract -In order to understand the mechanisms for glassy dynamics in biological tissues and shed light on those in non-biological materials, we study the low-temperature disordered phase of 2D vertex-like models. Recently it has been noted that vertex models have quite unusual behavior in the zero-temperature limit, with rigidity transitions that are controlled by residual stresses and therefore exhibit very different scaling and phenomenology compared to particulate systems. Here we investigate the finite-temperature phase of two-dimensional Voronoi and Vertex models, and show that they have highly unusual, sub-Arrhenius scaling of dynamics with temperature. We connect the anomalous glassy dynamics to features of the potential energy landscape associated with zero-temperature inherent states.
Vertex models represent confluent tissue by polygonal or polyhedral tilings of space, with the individual cell 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.
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 defects | origami | pluripotent
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