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We derive a collisionless kinetic theory for an ensemble of molecules undergoing nonholonomic rolling dynamics. We demonstrate that the existence of nonholonomic constraints leads to problems in generalizing the standard methods of…

Chaotic Dynamics · Physics 2013-02-26 Darryl D. Holm , Vakhtang Putkaradze , Cesare Tronci

The continuum dislocation dynamics framework for mesoscale plasticity is intended to capture the dislocation density evolution and the deformation of crystals when subjected to mechanical loading. It does so by solving a set of transport…

Materials Science · Physics 2021-02-24 Vignesh Vivekanandan , Peng Lin , Grethe Winther , Anter El-Azab

We present the detailed analysis of the diffusive transport of spatially inhomogeneous fluid mixtures and the interplay between structural and dynamical properties varying on the atomic scale. The present treatment is based on different…

Mesoscale and Nanoscale Physics · Physics 2011-05-19 Umberto Marini Bettolo Marconi , Simone Melchionna

This study explores the use of fractional calculus as a possible tool to model wave propagation in complex, heterogeneous media. We illustrate the methodology by focusing on elastic wave propagation in a one-dimensional periodic rod. The…

Classical Physics · Physics 2018-12-05 John Hollkamp , Mihir Sen , Fabio Semperlotti

A thermodynamically consistent particle-based model for fluid dynamics with continuous velocities and a non-ideal equation of state is presented. Excluded volume interactions are modeled by means of biased stochastic multiparticle…

Soft Condensed Matter · Physics 2009-11-11 Thomas Ihle , Erkan Tuzel , Daniel M. Kroll

We introduce a variational multiscale closure modeling strategy for the numerical stabilization of proper orthogonal decomposition reduced-order models of convection-dominated equations. As a first step, the new model is analyzed and tested…

Numerical Analysis · Mathematics 2015-03-19 Traian iliescu , Zhu Wang

Electronic nearsightedness is one of the fundamental principles governing the behavior of condensed matter and supporting its description in terms of local entities such as chemical bonds. Locality also underlies the tremendous success of…

Computational Physics · Physics 2020-09-01 Andrea Grisafi , Jigyasa Nigam , Michele Ceriotti

This study presents the application of variable-order (VO) fractional calculus to the modeling of nonlocal solids. The reformulation of nonlocal fractional-order continuum mechanic framework, by means of VO kinematics, enables a unique…

Numerical Analysis · Mathematics 2020-09-01 Mehdi Jokar , Sansit Patnaik , Fabio Semperlotti

We present an adaptive reduced-order model for the efficient time-resolved simulation of fluid-structure interaction problems with complex and non-linear deformations. The model is based on repeated linearizations of the structural balance…

Fluid Dynamics · Physics 2020-04-13 Ali Thari , Vito Pasquariello , Niels Aage , Stefan Hickel

To obtain the probability distribution of 2D crack patterns in mesoscopic regions of a disordered solid, the formalism of Paper I requires that a functional form associating the crack patterns (or states) to their formation energy be…

Statistical Mechanics · Physics 2009-11-07 Renaud Toussaint , Steven R. Pride

We consider a linearly thermoelastic composite medium,which consists of a homogeneous matrix containing a statistically inhomogeneous random set of inclusions, when the concentration of the inclusions is a function of the coordinates…

Materials Science · Physics 2009-12-22 Valeriy A. Buryachenko

Using the density functional formalism we derive expression for the distortion free energy for systems with continuous broken symmetry and use it to derive expression for the elastic constants of smectic phases in which director is tilted…

Soft Condensed Matter · Physics 2009-11-07 Yashwant Singh , Jokhan Ram

The nonequilibrium thermodynamics of interacting quantum many-body systems is investigated within the framework of thermal time-dependent density functional theory using a generalized linear-response formulation for the full quantum work…

Quantum Physics · Physics 2025-12-23 Antonio Palamara , Francesco Plastina , Antonello Sindona , Irene D'Amico

Two approaches to incorporate heterogeneity in discrete models are compared. In the first, standard approach, the heterogeneity is dictated by geometrical structure of the discrete system. In the second approach, the heterogeneity is…

Computational Engineering, Finance, and Science · Computer Science 2025-06-26 Jan Raisinger , Qiwei Zhang , John E. Bolander , Jan Eliáš

Cell-cell adhesion plays a vital role in the development and maintenance of multicellular organisms. One of its functions is regulation of cell migration, such as occurs, e.g. during embryogenesis or in cancer. In this work, we develop a…

Tissues and Organs · Quantitative Biology 2024-03-08 Anna Zhigun , Mabel Lizzy Rajendran

There has been increasing experimental evidence of non-affine elastic deformation mechanisms in biological soft tissues. These observations call for novel constitutive models which are able to describe the dominant underlying…

Computational Physics · Physics 2021-03-04 Sebastian Skatulla , Carlo Sansour , Georges Limbert

In this paper, a statistical physical derivation of thermodynamically consistent fluid mechanical equations is presented for non-isothermal viscous molecular fluids. The coarse-graining process is based on (i) the adiabatic expansion of the…

Statistical Mechanics · Physics 2024-04-18 Gyula I. Tóth

In order to increase the efficiency of the computer simulation of biological molecules, it is very common to impose holonomic constraints on the fastest degrees of freedom; normally bond lengths, but also possibly bond angles. However, as…

Chemical Physics · Physics 2011-12-19 Pablo Echenique , Claudio N. Cavasotto , Pablo García-Risueño

A novel, concurrent multiscale approach to meso/macroscale plasticity is demonstrated. It utilizes a carefully designed coupling of a partial differential equation (pde) based theory of dislocation mediated crystal plasticity with…

Computational Engineering, Finance, and Science · Computer Science 2020-07-15 Sabyasachi Chatterjee , Giacomo Po , Xiaohan Zhang , Amit Acharya , Nasr Ghoniem

Modeling important engineering problems related to flow-induced damage (in the context of hydraulic fracturing among others) depends critically on characterizing the interaction of porous media and interstitial fluid flow. This work…

Numerical Analysis · Mathematics 2012-06-27 Daniel Z. Turner
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