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Understanding the geometry and topology of configuration or conformational spaces of molecules has relevant applications in chemistry and biology such as the proteins folding problem, drug design and the structure activity relationship…

定量方法 · 定量生物学 2019-07-19 Ingrid Membrillo-Solis , Mariam Pirashvili , Lee Steinberg , Jacek Brodzki , Jeremy G. Frey

Convex geometries are closure systems satisfying the anti-exchange axiom. Every finite convex geometry can be embedded into a convex geometry of finitely many points in an n-dimensional space equipped with a convex hull operator, by the…

组合数学 · 数学 2016-09-02 Kira Adaricheva , Madina Bolat

An equidistant polytope is a special equidistant set in the space $\mathbb{R}^n$ all of whose boundary points have equal distances from two finite systems of points. Since one of the finite systems of the given points is required to be in…

度量几何 · 数学 2021-12-16 Csaba Vincze , Márk Oláh , Letícia Lengyel

Equilibration of polymer melts containing highly entangled long polymer chains in confinement or with free surfaces is a challenge for computer simulations. We approach this problem by first studying polymer melts based on the soft-sphere…

软凝聚态物质 · 物理学 2020-10-14 Hsiao-Ping Hsu , Kurt Kremer

The bending energy of any freely deformable closed surface is quadratic in its curvature. In the absence of constraints, it will be minimized when the surface adopts the form of a round sphere. If the surface is confined within a…

数学物理 · 物理学 2013-03-19 Jemal Guven , José Antonio Santiago , Pablo Vázquez-Montejo

We describe a method for modeling the geometry of porous materials. The approach enables the independent selection of crucial parameters, including porosity, pore size distribution, pore shape, and connectivity. Consequently, it can…

材料科学 · 物理学 2024-04-19 Felix Buchele , Patric Müller , Michael Blank , Thorsten Pöschel

Using group theory arguments, we demonstrate that, unlike in homogeneous media, no symmetric vortices of arbitrary order can be generated in two-dimensional (2D) nonlinear systems possessing a discrete-point symmetry. The only condition…

斑图形成与孤子 · 物理学 2009-11-10 Albert Ferrando , Mario Zacares , Miguel-Angel Garcia-March

Liquid foams have been observed to behave like immersed granular materials in at least one respect: deformation tends to raise their liquid contents, a phenomenon called dilatancy. We present a geometrical interpretation thereof in foams…

软凝聚态物质 · 物理学 2009-09-29 Pierre Rognon , François Molino , Cyprien Gay

We consider the class $S^m_\perp(\Omega)$ of $m$-dimensional surfaces in $\bar{\Omega} \subset {\mathbb R}^n$ which intersect $S = \partial \Omega$ orthogonally along the boundary. A piece of an affine $m$-plane in $S^m_\perp(\Omega)$ is…

微分几何 · 数学 2024-07-22 Ernst Kuwert , Marius Müller

We study the problem of decomposing a volume bounded by a smooth surface into a collection of Voronoi cells. Unlike the dual problem of conforming Delaunay meshing, a principled solution to this problem for generic smooth surfaces remained…

This article gives necessary and sufficient conditions for a relation to be the containment relation between the facets and vertices of a polytope. Also given here, are a set of matrices parameterizing the linear moduli space and another…

组合数学 · 数学 2014-12-02 Michael Gene Dobbins

The desirable properties when constructing collections of subspaces often include the algebraic constraint that the projections onto the subspaces yield a resolution of the identity like the projections onto lines spanned by vectors of an…

泛函分析 · 数学 2021-06-02 Emily J. King

We consider a nonrelativistic quantum particle constrained to a curved layer of constant width built over a non-compact surface embedded in $R^3$. We suppose that the latter is endowed with the geodesic polar coordinates and that the layer…

数学物理 · 物理学 2009-11-07 Pierre Duclos , Pavel Exner , David Krejcirik

We report experiments on the dynamics of vibrated particles constrained in a two-dimensional vertical container, motivated by the following question: how to get the most out of a given external vibration to maximize internal disorder (e.g.…

软凝聚态物质 · 物理学 2022-09-07 René Zuñiga , Germán Varas , Stéphane Job

This paper considers an extension of origami geometry to the case of "folding" a three dimensional (3D) space along a plane. First, all possible incidence constraints between given points, lines and planes are analyzed by using the geometry…

历史与综述 · 数学 2018-09-18 Jorge C. Lucero

Equilibrium solutions are believed to structure the pathways for ergodic trajectories in a dynamical system. However, equilibria are atypical for systems with continuous symmetries, i.e. for systems with homogeneous spatial dimensions,…

流体动力学 · 物理学 2017-05-04 Ashley P. Willis , Kimberly Y. Short , Predrag Cvitanović

We describe the geometry of foams squeezed between two solid plates (2D GG foams) in two main asymptotic regimes: fully dry floor tiles and dry pancakes. We predict an abrupt transition between both regimes, with a substantial change in the…

软凝聚态物质 · 物理学 2009-02-16 Pierre Rognon , François Molino , Cyprien Gay

We study the Voronoi and void statistics of super-homogeneous (or hyperuniform) point patterns in which the infinite-wavelength density fluctuations vanish. Super-homogeneous or hyperuniform point patterns arise in one-component plasmas,…

统计力学 · 物理学 2016-08-31 Andrea Gabrielli , Salvatore Torquato

A fluid in a pore can form diverse heterogeneous structures. We combine a capillary description with the cubic-plus-association equation of state to study the thermodynamic stability of droplets, bubbles and films of water at 358 K in a…

计算物理 · 物理学 2019-09-04 Magnus Aa. Gjennestad , Øivind Wilhelmsen

We investigate the equilibrium of a fluid in contact with a solid boundary through a density-functional theory. Depending on the conditions, the fluid can be in one phase, gas or liquid, or two phases, while the wall induces an external…

流体动力学 · 物理学 2012-02-06 Antonio Pereira , Serafim Kalliadasis