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We give evidence of a clear structural signature of the glass transition, in terms of a static correlation length with the same dependence on the system size which is typical of critical phenomena. Our approach is to introduce an external,…

Statistical Mechanics · Physics 2010-06-25 Majid Mosayebi , Emanuela Del Gado , Patrick Ilg , Hans Christian Ottinger

Crystal structure prediction algorithms have become powerful tools for materials discovery in recent years, however, they are usually limited to relatively small systems. The main challenge is that the number of local minima grows…

Materials Science · Physics 2022-02-09 Hao Gao , Junjie Wang , Yu Han , Jian Sun

In a linear chord diagram a short chord joins adjacent vertices while a bubble is a region devoid of short chords. We define a bridge to be a chord joining a vertex interior to a bubble to one exterior to it. Building on earlier work, we…

Combinatorics · Mathematics 2024-09-02 Donovan Young

Symmetry is an implicit objective in structural form-finding that often reconciles efficiency and aesthetics. This paper identifies the symmetry of polyhedral diagrams in three-dimensional graphic statics (3DGS) as point groups and…

Computational Geometry · Computer Science 2026-04-29 Yefan Zhi , Yao Lu , Masoud Akbarzadeh

The breakup dynamics of viscous liquid bridges on solid surfaces is studied experimentally. It is found that the dynamics bears similarities to the breakup of free liquid bridges in the viscous regime. Nevertheless, the dynamics is…

Fluid Dynamics · Physics 2024-08-06 Salar Farokhi , Peyman Rostami , Günter K. Auernhammer , Steffen Hardt

Predicting and characterizing the crystal structure of materials is a key problem in materials research and development. It is typically addressed with highly accurate quantum mechanical computations on a small set of candidate structures,…

Materials Science · Physics 2009-11-10 Stefano Curtarolo , Dane Morgan , Kristin Persson , John Rodgers , Gerbrand Ceder

The Procrustes distance is used to quantify the similarity or dissimilarity of (3-dimensional) shapes, and extensively used in biological morphometrics. Typically each (normalized) shape is represented by N landmark points, chosen to be…

Differential Geometry · Mathematics 2011-06-28 Yaron Lipman Reema Al-Aifari Ingrid Daubechies

The determination of exponentially stable equilibria and their basin of attraction for a dynamical system given by a general autonomous ordinary differential equation can be achieved by means of a contraction metric. A contraction metric is…

Dynamical Systems · Mathematics 2019-09-24 Peter Giesl , Sigurdur Hafstein , Iman Mehrabinezhad

We determine the set of all genus g bridge numbers of many iterated torus knots, listing these numbers in a sequence called the bridge spectrum. In addition, we prove a structural lemma about the decomposition of a strongly irreducible…

Geometric Topology · Mathematics 2013-02-01 Alexander Zupan

A periodic lattice in Euclidean 3-space is the infinite set of all integer linear combinations of basis vectors. Any lattice can be generated by infinitely many different bases. This ambiguity was only partially resolved, but standard…

Metric Geometry · Mathematics 2022-01-26 Vitaliy Kurlin

The theory of tunnel number 1 knots detailed in our previous paper, The tree of knot tunnels, provides a non-negative integer invariant called the depth of the tunnel. We give various results related to the depth invariant. Noting that it…

Geometric Topology · Mathematics 2007-08-28 Sangbum Cho , Darryl McCullough

We investigate the rupture of invariant tubes in a class of nonautonomous dynamical systems arising from time-dependent Ermakov-type equations. Starting from an exactly tube-integrable reference system, we analyze a time-dependent invariant…

Dynamical Systems · Mathematics 2026-01-19 Johannes Hagel

Periodic frameworks with crystallographic symmetry are investigated from the perspective of a general deformation theory of periodic bar-and-joint structures in $R^d$. It is shown that natural parametrizations provide affine section…

Metric Geometry · Mathematics 2011-10-24 Ciprian S. Borcea , Ileana Streinu

Porous structures are intricate solid materials with numerous small pores, extensively used in fields like medicine, chemical engineering, and aerospace. However, the design of such structures using computer-aided tools is a time-consuming…

Graphics · Computer Science 2024-02-20 Gao Depeng , Gao Yang , Lin Hongwei

Sparse parametric models are of great interest in statistical learning and are often analyzed by means of regularized estimators. Pathwise methods allow to efficiently compute the full solution path for penalized estimators, for any…

Machine Learning · Statistics 2024-12-06 Alessandro De Gregorio , Francesco Iafrate

Let $X$ be an infinite, locally finite, connected, quasi-transitive graph without loops or multiple edges. A graph height function on $X$ is a map adapted to the graph structure, assigning to every vertex an integer, called height. Bridges…

Combinatorics · Mathematics 2019-07-05 Christian Lindorfer

Generative models for crystalline materials often rely on equivariant graph neural networks, which capture geometric structure well but are costly to train and slow to sample. We present Crystalite, a lightweight diffusion Transformer for…

Machine Learning · Computer Science 2026-04-03 Tin Hadži Veljković , Joshua Rosenthal , Ivor Lončarić , Jan-Willem van de Meent

To extend rational materials design and discovery into the space of metastable polymorphs, rapid and reliable assessment of their lifetimes is essential. Motivated by the early work of Buerger (1951), here we investigate the routes to…

Materials Science · Physics 2018-04-04 Vladan Stevanovic , Ryan Trottier , Felix Therrien , Charles Musgrave , Aaron Holder , Peter Graf

Due to the subtle balance of intermolecular interactions that govern structure-property relations, predicting the stability of crystal structures formed from molecular building blocks is a highly non-trivial scientific problem. A…

Chemical Physics · Physics 2022-12-26 Rose K. Cersonsky , Maria Pakhnova , Edgar A. Engel , Michele Ceriotti

Motivated by applications to crystalline materials, we generalize the merge tree and the related barcode of a filtered complex to the periodic setting in Euclidean space. They are invariant under isometries, changing bases, and indeed…

Algebraic Topology · Mathematics 2024-08-30 Herbert Edelsbrunner , Teresa Heiss