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We present large-scale molecular dynamics simulations for a coarse-grained model of polymer melts in equilibrium. From detailed Rouse mode analysis we show that the time-dependent relaxation of the autocorrelation function (ACF) of modes…

软凝聚态物质 · 物理学 2017-04-26 Hsiao-Ping Hsu , Kurt Kremer

In order to address the selection mechanism that is responsible for the unique lamellar orientation observed in block copolymers under oscillatory shears, we use a constitutive law for the dissipative part of the stress tensor that respects…

软凝聚态物质 · 物理学 2009-11-11 Zhi-Feng Huang , Jorge Vinals

We present theoretical predictions of granular flow in a conical hopper based on a continuum theory employing a recently-developed constitutive model with microstructure evolution by Sun and Sundaresan [1]. The model is developed for strain…

软凝聚态物质 · 物理学 2012-07-10 Jin Sun , Sankaran Sundaresan

Using molecular dynamics simulations, we study dynamics of a model polymer melt composed of short chains with bead number N=10 in supercooled states. In quiescent conditions, the stress relaxation function $G(t)$ is calculated, which…

软凝聚态物质 · 物理学 2009-11-07 Ryoichi Yamamoto , Akira Onuki

Multi-phase flows encountered in nature or in industry, exhibit non trivial rheological properties, that can be understood better thanks to model materials and appropriate rheometers. Here, we use model unsaturated granular materials:…

软凝聚态物质 · 物理学 2021-06-24 Stephanie Deboeuf , Abdoulaye Fall

Using molecular dynamics simulations, we determine the linear and nonlinear viscoelastic properties of a model polymer melt in the unentangled regime. Several approaches are compared for the computation of linear moduli, including…

材料科学 · 物理学 2007-05-23 Mihail Vladkov , J. -L. Barrat

We revisit a model of semiflexible Gaussian chains proposed by Winkler \textit{et al}, solve the dynamics of the discrete description of the model and derive exact algebraic expressions for some of the most relevant dynamical observables,…

软凝聚态物质 · 物理学 2022-11-02 Andres R. Tejedor , Jaime R. Tejedor , Jorge Ramirez

We derive a thermodynamically consistent framework for incorporating entanglement dynamics into constitutive equations for flowing polymer melts. We use this to combine the convected constraint release (CCR) dynamics of…

软凝聚态物质 · 物理学 2022-12-21 Benjamin E. Dolata , Peter D. Olmsted

We investigate the steady uniform shear flow of a granular gas composed of inelastic and rough Maxwell particles. Exploiting the mean-field character of the model, we derive exact expressions for the collisional production rates of the…

软凝聚态物质 · 物理学 2026-02-27 Andrés Santos , Gilberto M. Kremer

We show theoretically that an initially homogeneous planar Couette flow of a concentrated polymeric fluid is linearly unstable to the growth of two-dimensional (2D) perturbations, within two widely used constitutive models: the…

软凝聚态物质 · 物理学 2026-02-23 Theo A. Lewy , Suzanne M. Fielding , Peter D. Olmsted , Rich R. Kerswell

Slow and dense granular flows often exhibit narrow shear bands, making them ill-suited for a continuum description. However, smooth granular flows have been shown to occur in specific geometries such as linear shear in the absence of…

软凝聚态物质 · 物理学 2009-11-11 Martin Depken , Martin van Hecke , Wim van Saarloos

Constitutive and closure models play important roles in computational mechanics and computational physics in general. Classical constitutive models for solid and fluid materials are typically local, algebraic equations or flow rules…

流体动力学 · 物理学 2021-06-16 Xu-Hui Zhou , Jiequn Han , Heng Xiao

A three-dimensional mesoscopic viscoplasticity model for simulating rate-dependent plasticity and creep in unidirectional thermoplastic composites is presented. The constitutive model is a transversely isotropic extension of an isotropic…

计算工程、金融与科学 · 计算机科学 2025-10-01 P. Hofman , D. Kovačević , F. P. van der Meer , L. J. Sluys

We here present two simplified models aimed at describing the long-term, irregular behaviours observed in the rheological response of certain complex fluids, such as periodic oscillations or chaotic-like variations. Both models exploit the…

凝聚态物理 · 物理学 2009-11-10 A. Aradian , M. E. Cates

We consider concentration dependence of rheological properties of associative telechelic polymer solutions. Experimental results for model telechelic polymer solutions show rather strong concentration dependence of rheological properties.…

软凝聚态物质 · 物理学 2015-06-11 Takashi Uneyama , Shinya Suzuki , Hiroshi Watanabe

The shear rheology of dense colloidal and granular suspensions is strongly nonlinear, as these materials exhibit shear-thinning and shear-thickening, depending on multiple physical parameters. We numerically study the rheology of a simple…

软凝聚态物质 · 物理学 2014-07-31 Takeshi Kawasaki , Atsushi Ikeda , Ludovic Berthier

The slip phenomena in thin polymer films confined by either flat or periodically corrugated surfaces are investigated by molecular dynamics and continuum simulations. For atomically flat surfaces and weak wall-fluid interactions, the shear…

软凝聚态物质 · 物理学 2008-10-15 Anoosheh Niavarani , Nikolai V. Priezjev

We investigate the non-equilibrium dynamics of an isolated polymer in a stationary elongational flow. We compute the relaxation time to the steady-state configuration as a function of the Weissenberg number. A strong increase of the…

可精确求解与可积系统 · 物理学 2007-05-23 D. Vincenzi , E. Bodenschatz

The viscous flow of polymer chains in dense melts is dominated by topological constraints whenever the single chain contour length, N, becomes larger than the characteristic scale Ne, defining comprehensively the macroscopic rheological…

软凝聚态物质 · 物理学 2023-07-19 Mattia Alberto Ubertini , Angelo Rosa

Shear flow of dense, non-Brownian suspensions is simulated using the discrete element method, taking particle contact and hydrodynamic lubrication into account. The resulting flow regimes are mapped in the parametric space of solid volume…

软凝聚态物质 · 物理学 2015-01-06 Christopher Ness , Jin Sun