On the estimation of the curvatures and bending rigidity of membrane networks via a local maximum-entropy approach

DOI10.1016/J.JCP.2011.09.017zbMATH Open1238.92008DBLPjournals/jcphy/FraternaliLM12arXiv1105.3076OpenAlexW2109829450WikidataQ57950321 ScholiaQ57950321MaRDI QIDQ418980FDOQ418980

Authors: Fernando Fraternali, C. D. Lorenz, G. Marcelli 

Publication date: 30 May 2012

Published in: Journal of Computational Physics (Search for Journal in Brave)

Abstract: We present a meshfree method for the curvature estimation of membrane networks based on the Local Maximum Entropy approach recently presented in (Arroyo and Ortiz, 2006). A continuum regularization of the network is carried out by balancing the maximization of the information entropy corresponding to the nodal data, with the minimization of the total width of the shape functions. The accuracy and convergence properties of the given curvature prediction procedure are assessed through numerical applications to benchmark problems, which include coarse grained molecular dynamics simulations of the fluctuations of red blood cell membranes (Marcelli et al., 2005; Hale et al., 2009). We also provide an energetic discrete-to-continuum approach to the prediction of the zero-temperature bending rigidity of membrane networks, which is based on the integration of the local curvature estimates. The Local Maximum Entropy approach is easily applicable to the continuum regularization of fluctuating membranes, and the prediction of membrane and bending elasticities of molecular dynamics models.

Full work available at URL: https://arxiv.org/abs/1105.3076

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zbMATH Keywords

principal curvaturesbending rigiditymaximum information entropyminimum widthred blood cell membrane

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Probabilistic models, generic numerical methods in probability and statistics (65C20) Measures of information, entropy (94A17) Biophysics (92C05)

Cites Work

• Information Theory and Statistical Mechanics
• On the Cauchy—Born Rule
• Title not available (Why is that?)
• Localmaximum-entropy approximation schemes: a seamless bridge between finite elements and meshfree methods
• Simulating the deformation of vesicle membranes under elastic bending energy in three dimensions
• Optimal transportation meshfree approximation schemes for fluid and plastic flows
• A dynamical theory of structures solids. I Basic developments
• Optimality of the Delaunay triangulation in \(\mathbb{R}^ d\)
• Smooth, second order, non-negative meshfree approximants selected by maximum entropy

Cited In (4)

• Universal formulae for the limiting elastic energy of membrane networks
• On the mechanical modeling of the extreme softening/stiffening response of axially loaded tensegrity prisms
• Derivatives of maximum-entropy basis functions on the boundary: theory and computations
• On the optimal prediction of the stress field associated with discrete element models

Uses Software

• DL_POLY

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