Energy elastic effects and the concept of temperature in flowing polymeric liquids

The incorporation of energy elastic effects in the modeling of flowing polymeric liquids is discussed. Since conformational energetic effects are determined by structural features much smaller than the end-to-end vector of the polymer chains, commonly employed single conformation tensor models are insufficient to describe energy elastic effects. The need for a local structural variable is substantiated by studying a microscopic toy model with energetic effects in the setting of a generalized canonical ensemble. In order to examine the dynamics of flowing polymeric liquids with energy elastic effects, a thermodynamically admissible set of evolution equations is presented that accounts for the evolution of the microstructure in terms of a slow tensor, as well as a fast, local scalar variable. It is demonstrated that the temperature used in the definition of the heat flux is directly related to the Lagrange multiplier of the microscopic energy in the generalized canonical partition function. The temperature equation is discussed with respect to, first, the dependence of the heat capacity on the polymer conformation and, second, the possibility to measure experimentally the effects of the conformational energ

What is behind the plastic strain rate?

The plastic strain rate plays a central role in macroscopic models on elasto-viscoplasticity. In order to discuss the concept behind this quantity, we propose, first, a kinetic toy model to describe the dynamics of sliding layers representative of plastic deformation of single crystalline metals. The dynamic variable is given by the distribution function of relative strains between adjacent layers, and the plastic strain rate emerges as the average hopping rate between energy wells. We demonstrate the behavior of this model under different deformations and how it captures the elastic-to-plastic transition. Second, the kinetic toy model is reduced to a closed evolution equation for the average of the relative strain, allowing us to make a direct link to macroscopic theories. It is shown that the constitutive relation for the plastic strain rate does not only depend on the stress, but also on the macroscopic applied deformation rate, contrary to common practic

Lie groups in nonequilibrium thermodynamics: Geometric structure behind viscoplasticity

Poisson brackets provide the mathematical structure required to identify the reversible contribution to dynamic phenomena in nonequilibrium thermodynamics. This mathematical structure is deeply linked to Lie groups and their Lie algebras. From the characterization of all the Lie groups associated with a given Lie algebra as quotients of a universal covering group, we obtain a natural classification of rheological models based on the concept of discrete reference states and, in particular, we find a clear-cut and deep distinction between viscoplasticity and viscoelasticity. The abstract ideas are illustrated by a naive toy model of crystal viscoplasticity, but similar kinetic models are also used for modeling the viscoplastic behavior of glasses. We discuss some implications for coarse graining and statistical mechanics.Comment: 11 pages, 1 figure, accepted for publication in J. Non-Newtonian Fluid Mech. Keywords: Elastic-viscoplastic materials, Nonequilibrium thermodynamics, GENERIC, Lie groups, Reference state

Generation of Porous Particle Structures using the Void Expansion Method

The newly developed "void expansion method" allows for an efficient generation of porous packings of spherical particles over a wide range of volume fractions using the discrete element method. Particles are randomly placed under addition of much smaller "void-particles". Then, the void-particle radius is increased repeatedly, thereby rearranging the structural particles until formation of a dense particle packing. The structural particles' mean coordination number was used to characterize the evolving microstructures. At some void radius, a transition from an initially low to a higher mean coordination number is found, which was used to characterize the influence of the various simulation parameters. For structural and void-particle stiffnesses of the same order of magnitude, the transition is found at constant total volume fraction slightly below the random close packing limit. For decreasing void-particle stiffness the transition is shifted towards a smaller void-particle radius and becomes smoother.Comment: 9 pages, 8 figure

International AIDS Society global scientific strategy: towards an HIV cure 2016

Antiretroviral therapy is not curative. Given the challenges in providing lifelong therapy to a global population of more than 35 million people living with HIV, there is intense interest in developing a cure for HIV infection. The International AIDS Society convened a group of international experts to develop a scientific strategy for research towards an HIV cure. This Perspective summarizes the group's strategy

Gauge conditions on the "square root" of the conformation tensor in rheological models

Symmetric positive-definite conformation-tensors are ubiquitous in models of viscoelasticity. In this paper, the multiplicative decomposition of the conformation tensor is revisited. The nonuniqueness in this decomposition is exploited (i) to ensure stationarity of the decomposed dynamics whenever the conformation tensor is stationary, and (ii) to impose gauge conditions (cf. symmetric square root, or Cholesky decomposition) in the dynamics, for both deterministic and stochastic settings. The general procedure developed in this paper is exemplified on the upper-convected Maxwell model, and a (typically) increased numerical accuracy of the modified dynamics is found

Gauge conditions on the “square root” of the conformation tensor in rheological models

Symmetric positive-definite conformation-tensors are ubiquitous in models of viscoelasticity. In this paper, the multiplicative decomposition of the conformation tensor is revisited. The nonuniqueness in this decomposition is exploited (i) to ensure stationarity of the decomposed dynamics whenever the conformation tensor is stationary, and (ii) to impose gauge conditions (cf. symmetric square root, or Cholesky decomposition) in the dynamics, for both deterministic and stochastic settings. The general procedure developed in this paper is exemplified on the upper-convected Maxwell model, and a (typically) increased numerical accuracy of the modified dynamics is found.ISSN:0377-0257ISSN:1873-263

Energy elastic effects and the concept of temperature in flowing polymeric liquids

ISSN:0035-4511ISSN:1435-152