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We investigate the dynamics of the collapse of a single copolymer chain, when the solvent quality is suddenly quenched from good to poor. We employ Brownian dynamics simulations of a bead-spring chain model and incorporate fluctuating…

软凝聚态物质 · 物理学 2020-07-03 Tri Thanh Pham , Burkhard Duenweg , J. Ravi Prakash

Slow (logarithmic) relaxation from a highly excited state is studied in a Hamiltonian system with many degrees of freedom. The relaxation time is shown to increase as the exponential of the square root of the energy of excitation, in…

凝聚态物理 · 物理学 2007-05-23 Naoko Nakagawa , Kunihiko Kaneko

Dynamics of a discrete polymer in time-dependent external potentials is studied with the master equation approach. We consider both stochastic and deterministic switching mechanisms for the potential states and give the essential equations…

统计力学 · 物理学 2008-06-25 Janne Kauttonen , Juha Merikoski , Otto Pulkkinen

The hydrogen phase diagram has a number of unusual features which are generally well reproduced by density functional calculations. Unfortunately, these calculations fail to provide good physical insights into why those features occur. In…

材料科学 · 物理学 2020-10-28 Hongxiang Zong , Heather Wiebe , Graeme J. Ackland

Spatial heterogeneity in the elastic properties of soft random solids is investigated via a two-pronged approach. First, a nonlocal phenomenological model for the elastic free energy is examined. This features a quenched random kernel,…

无序系统与神经网络 · 物理学 2011-12-06 Xiaoming Mao , Paul M. Goldbart , Xiangjun Xing , Annette Zippelius

We discuss the spatiotemporal behavior of local density and its relation to dynamical heterogeneity in a highly supercooled liquid by using molecular dynamics simulations of a binary mixture with different particle sizes in two dimensions.…

软凝聚态物质 · 物理学 2015-03-20 Hayato Shiba , Takeshi Kawasaki

We study the Rolie-Poly model for entangled polymers, using a singular perturbation analysis for the limit of large relaxation time. In this limit, it is shown that the model displays the characteristic features of thixotropic yield stress…

流体动力学 · 物理学 2017-05-15 Yuriko Renardy , Michael Renardy

We present Monte Carlo simulation results on the equilibrium relaxation dynamics in the two dimensional lattice Coulomb gas, where finite fraction $f$ of the lattice sites are occupied by positive charges. In the case of high order rational…

统计力学 · 物理学 2009-11-07 Sung Jong Lee , Bongsoo Kim , Jong-Rim Lee

We use the ``isoconfigurational ensemble'' [Phys. Rev. Lett. {\bf 93}, 135701 (2004)] to analyze both dynamical and structural properties in simulations of a glass forming molecular liquid. We show that spatially correlated clusters of low…

材料科学 · 物理学 2009-11-11 Gurpreet S. Matharoo , M. S. Gulam Razul , Peter H. Poole

In models of Pt 111 and Pt 100 surfaces in water, motions of molecules in the first hydration layer are spatially and temporally correlated. To interpret these collective motions, we apply quantitative measures of dynamic heterogeneity that…

材料科学 · 物理学 2015-06-15 Adam P. Willard , David T. Limmer , Paul A. Madden , David Chandler

Star polymers can exhibit a heterogeneous dynamical behavior due to their internal structure. In this work we employ atomistic molecular dynamics simulations to study translational motion in non-entangled polystyrene and poly(ethylene…

软凝聚态物质 · 物理学 2021-02-03 Petra Bačová , Eirini Gkolfi , Laurence G. D. Hawke , Vagelis Harmandaris

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…

计算工程、金融与科学 · 计算机科学 2025-06-26 Jan Raisinger , Qiwei Zhang , John E. Bolander , Jan Eliáš

The control of relaxation-type systems of ordinary differential equations is investigated using the Hamilton-Jacobi-Bellman equation. First, we recast the model as a singularly perturbed dynamics which we embed in a family of controlled…

最优化与控制 · 数学 2024-04-23 Michael Herty , Hicham Kouhkouh

Dynamical heterogeneities have been introduced in the context of the glass transition of molecular liquids and the lengthscale associated with them has been argued to be at the origin of the observed quasi-universal behaviour of glassy…

软凝聚态物质 · 物理学 2015-03-17 Olivier Dauchot , Douglas J. Durian , Martin van Hecke

Heterogeneity is classified in five categories---topologic, geometric, kinematic, static, and constitutive---and the first four categories are investigated in a numerical DEM simulation of biaxial compression. The simulation experiments…

软凝聚态物质 · 物理学 2019-01-23 Matthew R. Kuhn

Using a well defined soft model glass in the framework of Molecular Dynamics simulations, the inherent structures are probed by means of a recently developed deformation protocol that aims to capture the Dynamical Heterogeneities (DH), as…

无序系统与神经网络 · 物理学 2013-02-15 F. Leonforte

Dynamical heterogeneity is a signature phenomenon of deeply supercooled liquids and glasses. Here, we demonstrate that the spatiotemporal correlations between local relaxation events that underpin it are the result of local relaxation…

软凝聚态物质 · 物理学 2024-12-05 Rahul N. Chacko

The degenerate Cahn-Hilliard equation is a standard model to describe living tissues. It takes into account cell populations undergoing short-range attraction and long-range repulsion effects. In this framework, we consider the usual…

偏微分方程分析 · 数学 2022-04-28 Benoît Perthame , Alexandre Poulain

We explore the long-time dynamics of a system of identical charged particles trapped on a closed helix. This system has recently been found to exhibit an unconventional deformation of the linear spectrum when tuning the helix radius. Here…

经典物理 · 物理学 2015-10-07 A. V. Zampetaki , J. Stockhofe , P. Schmelcher

A hierarchical (triple scale) simulation methodology is presented for the prediction of the dynamical and rheological properties of high molecular weight entangled polymer melts. The methodology consists of atomistic, moderately…