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Twisting and bending deformations are crucial to the biological functions of microfilaments such as DNA molecules. Although continuum-rod models have emerged as efficient tools to describe the nonlinear dynamics of these deformations, a…

Computational Physics · Physics 2015-03-13 Adam R. Hinkle , Sachin Goyal , Harish J. Palanthandalam-Madapusi

Long length-scale structural deformations of DNA play a central role in many biological processes including gene expression. The elastic rod model, which uses a continuum approximation, has emerged as a viable tool to model deformations of…

Computational Physics · Physics 2010-02-08 Harish J. Palanthandalam-Madapusi , Sachin Goyal

It is well known that the structural deformations (stressed states) of DNA molecule play a crucial role in its biological functions including gene expression. For instance, looping in DNA (often mediated by protein binding) is a crucial…

Biological Physics · Physics 2007-05-23 Sachin Goyal , Noel C. Perkins

We propose a method to accurately and efficiently identify the constitutive behavior of complex materials through full-field observations. We formulate the problem of inferring constitutive relations from experiments as an indirect inverse…

Materials Science · Physics 2024-12-05 Andrew Akerson , Aakila Rajan , Kaushik Bhattacharya

We propose a hybrid neural network (NN) and PDE approach for learning generalizable PDE dynamics from motion observations. Many NN approaches learn an end-to-end model that implicitly models both the governing PDE and constitutive models…

Machine Learning · Computer Science 2023-06-19 Pingchuan Ma , Peter Yichen Chen , Bolei Deng , Joshua B. Tenenbaum , Tao Du , Chuang Gan , Wojciech Matusik

Accurately modeling the mechanical behavior of materials is crucial for numerous engineering applications. The quality of these models depends directly on the accuracy of the constitutive law that defines the stress-strain relation.…

Materials Science · Physics 2025-03-18 Zhichao Han , Mohit Pundir , Olga Fink , David S. Kammer

Subject of this paper is the derivation of a new constitutive law in terms of the logarithm of the conformation tensor that can be used as a full substitute for the 2D governing equations of the Oldroyd-B, Giesekus and other models. One of…

Numerical Analysis · Mathematics 2014-12-12 Philipp Knechtges , Marek Behr , Stefanie Elgeti

Data-driven models based on deep learning algorithms intend to overcome the limitations of traditional constitutive modelling by directly learning from data. However, the need for extensive data that collate the full state of the material…

Materials Science · Physics 2023-12-27 Filippo Masi , Itai Einav

Classically, the mechanical response of materials is described through constitutive models, often in the form of constrained ordinary differential equations. These models have a very limited number of parameters, yet, they are extremely…

Machine Learning · Computer Science 2022-09-27 Ehsan Haghighat , Sahar Abouali , Reza Vaziri

We present a new approach for predictive modeling and its uncertainty quantification for mechanical systems, where coarse-grained models such as constitutive relations are derived directly from observation data. We explore the use of a…

Numerical Analysis · Mathematics 2020-06-24 Daniel Z. Huang , Kailai Xu , Charbel Farhat , Eric Darve

Constitutive laws relate fluid stress to deformation and underpin predictions of non-Newtonian behavior in industrial and biological fluids. Standard characterization relies on measurements in idealized flows that often miss physics…

Inferring the mechanical properties of soft tissues from measured deformations is a fundamental challenge in elastography. A rarely examined assumption underlying existing approaches is that the assumed constitutive law correctly describes…

Machine Learning · Statistics 2026-04-15 Vincent C. Scholz , P. S. Koutsourelakis

We examine the conformations of a model for a short segment of closed DNA. The molecule is represented as a cylindrically symmetric elastic rod with a constraint corresponding to a specification of the linking number. We obtain analytic…

Soft Condensed Matter · Physics 2009-10-31 Boris Fain , Joseph Rudnick

We study DNA self-assembly and DNA computation using a coarse-grained DNA model within the directional dynamic bonding framework {[}C. Svaneborg, Comp. Phys. Comm. 183, 1793 (2012){]}. In our model, a single nucleotide or domain is…

Soft Condensed Matter · Physics 2012-06-13 Carsten Svaneborg , Harold Fellermann , Steen Rasmussen

This work outlines a Lattice Boltzmann Method (LBM) for geometrically and constitutively nonlinear solid mechanics to simulate large deformations under dynamic loading conditions. The method utilizes the moment chain approach, where the…

Computational Engineering, Finance, and Science · Computer Science 2025-07-02 Henning Müller , Erik Faust , Alexander Schlüter , Ralf Müller

A high fidelity model is developed for an elastic string pendulum, one end of which is attached to a rigid body while the other end is attached to an inertially fixed reel mechanism which allows the unstretched length of the string to be…

Dynamical Systems · Mathematics 2009-09-14 Taeyoung Lee , Melvin Leok , N. Harris McClamroch

In material science, models are derived to predict emergent material properties (e.g. elasticity, strength, conductivity) and their relations to processing conditions. A major drawback is the calibration of model parameters that depend on…

Neural and Evolutionary Computing · Computer Science 2021-11-22 Gabriel Kronberger , Evgeniya Kabliman , Johannes Kronsteiner , Michael Kommenda

We use a coarse-grained molecular model to study the self-assembly process of complexes of cationic and neutral lipids with DNA molecules ("lipoplexes") - a promising nonviral carrier of DNA for gene therapy. We identify the resulting…

Soft Condensed Matter · Physics 2011-05-31 Oded Farago , Niels Grønbech-Jensen

DNA condensation by multivalent cations plays a crucial role in genome packaging in viruses and sperm heads, and has been extensively studied using single-molecule experimental methods. In those experiments, the values of the critical…

Soft Condensed Matter · Physics 2015-04-13 Ruggero Cortini , Bertrand R. Caré , Jean-Marc Victor , Maria Barbi

A novel data-driven constitutive modeling approach is proposed, which combines the physics-informed nature of modeling based on continuum thermodynamics with the benefits of machine learning. This approach is demonstrated on…

Computational Engineering, Finance, and Science · Computer Science 2023-04-28 Kshitiz Upadhyay , Jan N. Fuhg , Nikolaos Bouklas , K. T. Ramesh
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