Principle Of Maximum Dissipation Research Articles

Thermodynamically consistent concurrent material and structure optimization of elastoplastic multiphase hierarchical systems.

The concept of concurrent material and structure optimization aims at alleviating the computational discovery of optimum microstructure configurations in multiphase hierarchical systems, whose macroscale behavior is governed by their microstructure composition that can evolve over multiple length scales from a few micrometers to centimeters. It is based on the split of the multiscale optimization problem into two nested sub-problems, one at the macroscale (structure) and the other at the microscales (material). In this paper, we establish a novel formulation of concurrent material and structure optimization for multiphase hierarchical systems with elastoplastic constituents at the material scales. Exploiting the thermomechanical foundations of elastoplasticity, we reformulate the material optimization problem based on the maximum plastic dissipation principle such that it assumes the format of an elastoplastic constitutive law and can be efficiently solved via modified return mapping algorithms. We integrate continuum micromechanics based estimates of the stiffness and the yield criterion into the formulation, which opens the door to a computationally feasible treatment of the material optimization problem. To demonstrate the accuracy and robustness of our framework, we define new benchmark tests with several material scales that, for the first time, become computationally feasible. We argue that our formulation naturally extends to multiscale optimization under further path-dependent effects such as viscoplasticity or multiscale fracture and damage.

Functional convergence in slow-growing microbial communities arises from thermodynamic constraints.

The dynamics of microbial communities is complex, determined by competition for metabolic substrates and cross-feeding of byproducts. Species in the community grow by harvesting energy from chemical reactions that transform substrates to products. In many anoxic environments, these reactions are close to thermodynamic equilibrium and growth is slow. To understand the community structure in these energy-limited environments, we developed a microbial community consumer-resource model incorporating energetic and thermodynamic constraints on an interconnected metabolic network. The central element of the model is product inhibition, meaning that microbial growth may be limited not only by depletion of metabolic substrates but also by accumulation of products. We demonstrate that these additional constraints on microbial growth cause a convergence in the structure and function of the community metabolic network-independent of species composition and biochemical details-providing a possible explanation for convergence of community function despite taxonomic variation observed in many natural and industrial environments. Furthermore, we discovered that the structure of community metabolic network is governed by the thermodynamic principle of maximum free energy dissipation. Our results predict the decrease of functional convergence in faster growing communities, which we validate by analyzing experimental data from anaerobic digesters. Overall, the work demonstrates how universal thermodynamic principles may constrain community metabolism and explain observed functional convergence in microbial communities.

A bounding surface viscoplastic damage model for time-dependent rock deformation

A novel bounding surface viscoplastic damage (BS-VPD) framework is proposed in this study for capturing the time-dependent rock deformation driven by subcritical cracking. Our constitutive creep model has been established via imposing effective control over stress-state evolution with respect to the characteristic surfaces while enforcing strictly the thermodynamic constraint. In particular, a new viscoplastic flow rule is first developed by upscaling the microscopic subcritical cracking towards macroscopic creep characterization based on the bounding surface concept. A continuum damage criterion has then been deduced from the maximum dissipation principle for capturing realistically the strain hardening and damage softening during sustained creep loading. By further completing the model with a novel strategy for regulating the interactive surface evolution, we have thus reproduced successfully the progressive transition from stable subcritical cracking characteristic of decelerating creep into unstable propagation during accelerating rupture. In addition, a hierarchical procedure has also been formulated in this study to facilitate straightforward calibration via conventional laboratory testing, and the applicability of our BS-VPD model is then verified against constant strain-rate and creep tests of brittle rocks representing distinct lithologies (i.e., granite, sandstone, and gneiss). The close agreement between model simulation and experimental measurement suggests that the proposed BS-VPD framework is able to capture faithfully the trimodal creep behaviour of brittle rocks across primary, secondary, and tertiary regimes.

Prediction of failure of hybrid composites with ultra-thin carbon/epoxy layers using the Coupled Criterion

Composites are rapidly increasing in an extensive range of structural applications, but further growth is limited by their lack of ductility. Fiber hybridization is a promising strategy to toughen composite materials. The coupled criterion of the finite fracture mechanics is applied here to describe the sequential damage mechanisms that occur in a hybrid composite under tension. The studied specimens are made of an unidirectional thin layer reinforced with long carbon fibers, embedded between two unidirectional layers reinforced with glass fibers. The first damage is usually translaminar cracking of the carbon/epoxy layer, which can be followed by different mechanisms depending on the stacking lay-up: failure of the glass/epoxy layer, delamination of the interface between carbon/epoxy and glass/epoxy layer, or fragmentation of the carbon/epoxy layer. Once the first translaminar crack has appeared into the carbon/epoxy layer, it impinges on the interface and the crack tips undergo a strong singularity, which plays an important role in predicting the mechanisms that follow. The competition between the different mechanisms is studied here by the novelty of including the principle of maximum dissipation into the Coupled Criterion. The predictions obtained by this approach show a good agreement with the experimental and computational results found in the literature.

Energetic variational approach for prediction of thermal electrokinetics in charging and discharging processes of electrical double layer capacitors

This work proposes a new variational, thermodynamically consistent model to predict thermal electrokinetics in electric double layer capacitors (EDLCs) by using an energetic variational approach. The least action principle and maximum dissipation principle from the non-equilibrium thermodynamics are employed to develop modified Nernst–Planck equations for non-isothermal ion transport with temperature inhomogeneity. Laws of thermodynamics are employed to derive a temperature evolution equation with heat sources due to thermal pressure and electrostatic interactions. Numerical simulations successfully predict temperature oscillation in the charging–discharging processes of EDLCs, indicating that the developed model is able to capture reversible and irreversible heat generations. The impact of ionic sizes and scan rate of surface potential on ion transport, heat generation, and charge current is systematically assessed in cyclic voltammetry simulations. It is found that the thermal electrokinetics in EDLCs cannot follow the surface potential with fast scan rates, showing delayed dynamics with hysteresis diagrams. Our work thus provides a useful tool for physics-based prediction of thermal electrokinetics in EDLCs.

A curve shortening equation with time-dependent mobility related to grain boundary motions

A curve shortening equation related to the evolution of grain boundaries is presented. This equation is derived from the grain boundary energy by applying the maximum dissipation principle. Gradient estimates and large time asymptotic behavior of solutions are considered. In the proof of these results, one key ingredient is a new weighted monotonicity formula that incorporates a time-dependent mobility.

Thermodynamically consistent nonlinear viscoplastic formulation with exact solution for the linear case and well-conditioned recovery of the inviscid one

In this work, a consistent viscoplasticity formulation is derived from thermodynamical principles and employing the concept of continuum elastic corrector rate. The proposed model is developed based on the principle of maximum viscoplastic dissipation for determining the flow direction. The model uses both the equivalent viscoplastic strain and its rate as state variables. Power balance and energy balance give, respectively, separate evolution equations for the equivalent viscoplastic strain rate and the viscoplastic strain, the former written in terms of inviscid rates. Several key points distinguish our formulation from other proposals. First, the viscoplastic strain rate (instead of a yield function) consistently distinguishes conservative from dissipative behaviours during reverse loading; and the discrete implicit integration algorithm is an immediate discretization of the continuum theory based on the mentioned principles considered as separate equations. Second, the inviscid solution is recovered in a well-conditioned manner by simply setting the viscosity to zero. Indeed, inviscid plasticity, viscoelasticity and viscoplasticity are particular cases of our formulation and integration algorithm, and are recovered just by setting the corresponding parameters to zero (viscosity or yield stress). Third, the linear viscoplasticity solution is obtained in an exact manner for proportional loading cases, independently of the time step employed. Four, general nonlinear models (Perzyna, Norton, etc) may be immediately incorporated as particular cases both in the theory and the computational implementation.

Structure-Preserving Numerical Methods for Nonlinear Fokker--Planck Equations with Nonlocal Interactions by an Energetic Variational Approach

In this work, we develop novel structure-preserving numerical schemes for a class of nonlinear Fokker--Planck equations with nonlocal interactions. Such equations can cover many cases of importance, such as porous medium equations with external potentials, optimal transport problems, and aggregation-diffusion models. Based on the energetic variational approach, a trajectory equation is first derived by using the balance between the maximal dissipation principle and the least action principle. By a convex splitting technique, we propose energy dissipating numerical schemes for the trajectory equation. Rigorous numerical analysis reveals that the nonlinear numerical schemes are uniquely solvable, naturally respect mass conservation and positivity at the fully discrete level, and preserve steady states in an admissible convex set, where the discrete Jacobian of flow maps is positive. Under certain assumptions on smoothness and a positive Jacobian, the numerical schemes are shown to be second order accurate in space and first order accurate in time. Extensive numerical simulations are performed to demonstrate several valuable features of the proposed schemes. In addition to the preservation of physical structures, such as positivity, mass conservation, discrete energy dissipation, and steady states, numerical simulations further reveal that our numerical schemes are capable of solving degenerate cases of the Fokker--Planck equations effectively and robustly. It is shown that the developed numerical schemes have convergence order even in degenerate cases with the presence of solutions having compact support and can accurately and robustly compute the waiting time of free boundaries without any oscillation. The limitation of numerical schemes due to a singular Jacobian of the flow map is also discussed.

Boundary conditions at a gel-fluid interface

The maximum dissipation principle is used to derive the boundary conditions at the fluid-gel interface $\mathrm{\ensuremath{\Gamma}}$, finding that a shear flow in pure fluid can entrain fluid in the gel.

On the variational modeling of non-associative plasticity

In this work, the energetic formulation for rate-independent dissipative materials is extended to consider non-associative plasticity models. In associative models, the fulfilment of the principle of maximum dissipation naturally leads to a variational formulation of the evolution problem. This is no longer true for non-associative models, which are generally presented in the literature in a non-variational form. However, recent studies have unveiled the possibility to recover a variational structure in non-associative plasticity by relying on a suitable state-dependent dissipation potential. Here, this idea is further elaborated in the framework of the energetic formulation, providing a systematic variational approach to non-associative plasticity. A clear link between the classical governing equations of non-associative plasticity and the energetic formulation is established, for which a state-dependent dissipation potential is derived from a generalization of the principle of maximum dissipation. The proposed methodology is then applied to recast specific non-associative plasticity models in variational form, highlighting the flexibility of the formulation. The examples include a Drucker-Prager model with combined isotropic-kinematic hardening and a ratcheting plasticity model. Several thermomechanical insights are provided for both examples. Moreover, exploiting the flexibility of the energetic formulation, extensions to gradient plasticity are devised, leading to representative finite element simulations.

Coulomb friction with rolling resistance as a cone complementarity problem

Coulomb friction model with unilateral contact is a basic, but reliable, model to represent the resistance to sliding between solid bodies. It is nowadays well-known that this model can be formulated as a second–order cone complementarity problem, or equivalently, as a variational inequality. In this article, the Coulomb friction model is enriched to take into account the resistance to rolling, also known as rolling friction. Introducing the rolling friction cone, an extended Coulomb's cone, and its dual, a formulation of the Coulomb friction with rolling resistance as a cone complementarity problem is shown to be equivalent to the standard formulation of the Coulomb friction with rolling resistance. Based on this complementarity formulation, the maximum dissipation principle and the bi-potential function are derived. Several iterative numerical methods based on projected fixed point iterations for variational inequalities and block-splitting techniques are given. The efficiency of these methods strongly relies on the computation of the projection onto the rolling friction cone. In this article, an original closed-form formula for the projection on the rolling friction cone is derived. The abilities of the model and the numerical methods are illustrated on the examples of a single sphere sliding and rolling on a plane, and of the evolution of spheres piles under gravity.

Accurate Energetic Constraints for Passive Grasp Stability Analysis

Passive reaction effects in grasp stability analysis occur when the contact forces and joint torques applied by a grasp change in response to external disturbances applied to the grasped object. For example, nonbackdrivable actuators (e.g. highly geared servos) will passively resist external disturbances without an actively applied command; for numerous robot hands using such motors, these effects can be highly beneficial as they increase grasp resistance without requiring active control. We introduce a grasp stability analysis method that can model these effects, and, for a given grasp, distinguish between disturbances that will be passively resisted and those that will not. We find that, in order to achieve this, the grasp model must include accurate energetic constraints. One way to achieve this is to consider the Maximum Dissipation Principle (MDP), a part of the Coulomb friction model that is rarely used in grasp stability analysis. However, the MDP constraints are non-convex, and difficult to solve efficiently. We thus introduce a convex relaxation method, along with an algorithm that successively refines this relaxation locally in order to obtain solutions to arbitrary accuracy efficiently. Our resulting algorithm can determine if a grasp is passively stable, solve for equilibrium contact forces and compute optimal actuator commands for stability. Its implementation is publicly available as part of the open-source GraspIt! simulator.

Nonlinear electromechanical coupling in ferroelectric materials: large deformation and hysteresis

Smart materials respond to external stimuli, e.g., electric fields, which enables their use as sensors and actuators. The electromechanical coupling of the direct and converse piezoelectric effects, for instance, is used for both actuation and sensing in diverse engineering applications. The response of ferroelectric materials depends on their state of remanent polarization and the presence of an external electric field. To extend the operational range of sensors and actuators, an accurate understanding of the evolution of the material’s state of polarization is imperative, which requires both physical and geometric nonlinearities to be taken into account. Moreover, polymeric smart materials like PVDF allow significantly larger deformation as compared to conventional piezoelectric ceramics. The electromechanical coupling in piezoelectric materials manifests in ferroelectric and ferroelastic hystereses, which are related to both reversible and irreversible processes. Focusing on the latter, we transfer phenomenological models for domain switching in ferroelectric materials to the geometrically nonlinear regime. For this purpose, we follow related concepts of geometrically nonlinear elastoplasticity, where the concept of a multiplicative decomposition of the deformation gradient plays a key role. Accordingly, an additional deformation path that describes the evolution of the poled state from the unpoled referential configuration is introduced. The constitutive response of the material to mechanical and electrical loads is discussed, and dissipative internal forces that drive the evolution of the remanent polarization are derived within a thermodynamical framework and the principle of maximum dissipation.

A tribological model for geometrically structured anisotropic surfaces in a covariant form

AbstractThis contribution proposes a tribological model within a three‐dimensional contact formulation considering structural anisotropy of the contact interface. A simple elastoplastic constitutive law is adopted for the description of the behavior on the anisotropic contact interface. Starting with the establishment of the thermodynamic framework of the contact problem, the dissipative, irreversible process is described. By applying the principle of maximum dissipation, the evolution equations and the expressions of the tangential contact forces for the cases of sticking and sliding are obtained and, subsequently, formulated in algorithmic form, in order to enable their implementation into finite element codes. The anisotropic behavior is incorporated through the definition of a tensor of anisotropy. The form of this tensor is defined in a general curvilinear coordinate system. The cases of both constant and nonconstant anisotropic tensor are studied. The analytical solution of a numerically computed problem, serves the validation of the proposed model.

Grain Boundary Triple Junction Dynamics: A Continuum Disconnection Model

The microstructure of polycrystalline materials consists of networks of grain boundaries (GBs) and triple junctions (TJs), along which three GBs meet. The evolution of such microstructures may be driven by surface tension (capillarity), applied stresses, or other means that lead to a jump in chemical potential across the GBs. Here, we develop a model for the concurrent evolution of the GB/TJ network based upon the microscopic mechanism of motion; the motion of line defects (disconnections) in the GB that have both dislocation and step character. The evolution involves thermally-activated disconnection formation/annihilation and migration of multiple disconnections modes/types. We propose this crystallography-respecting continuum model for the disconnection mechanism of GB/TJ dynamics derived with a variational approach based on the principle of maximum energy dissipation. The resultant TJ dynamics is reduced to an optimization problem with constraints that account for local microstructure geometry, conservation of Burgers vectors, and thermal-kinetic limitations on disconnection fluxes. We present analysis of and numerical simulations based upon our model to demonstrate the dependence of the GB and TJ mobilities and the TJ drag effect on the disconnection properties, and compare the predictions with molecular dynamics and experimental observations.

Small strain crystal plasticity based on the primal‐dual interior point method

AbstractThe paper presents a novel approach for rate‐independent single crystal plasticity based on the Infeasible Primal‐Dual Interior Point Method in a small strain framework. Therein, the principle of maximum dissipation together with the yield functions on the slip systems in the crystal are considered as the constrained optimization problem. The constraint conditions adapted using slack variables and a Lagrangian is formulated using barrier functions. The equations are linearized and solved using Newton's method. Numerical examples are presented for slip on the individual slip systems in a single crystal under global rotation.

The Generalized Stochastic Smoluchowski Equation

We study the dynamics of a system of overdamped Brownian particles governed by the generalized stochastic Smoluchowski equation associated with a generalized form of entropy and involving a long-range potential of interaction [P.H. Chavanis, Entropy 17, 3205 (2015)]. We first neglect fluctuations and provide a macroscopic description of the system based on the deterministic mean field Smoluchowski equation. We then take fluctuations into account and provide a mesoscopic description of the system based on the stochastic mean field Smoluchowski equation. We establish the main properties of this equation and derive the Kramers escape rate formula, giving the lifetime of a metastable state, from the theory of instantons. We relate the properties of the generalized stochastic Smoluchowski equation to a principle of maximum dissipation of free energy. We also discuss the connection with the dynamical density functional theory of simple liquids.

Plane-stress constrained multiplicative hyperelasto-plasticity with nonlinear kinematic hardening. Consistent theory based on elastic corrector rates and algorithmic implementation

Small-strain plane-stress projected formulations are typically employed in 2D, plate and thin membrane problems because of their efficiency. However, at large strains, equivalent algorithms have been precluded by the difficulties of kinematics, specially using the multiplicative decomposition and nonlinear kinematic hardening. In this paper, we present a plane-stress constrained formulation for large strain multiplicative hyperelasto-plasticity based on the novel framework which uses elastic strain corrector rates. The proposed plane-stress projected model is consistent with the principle of maximum dissipation as in the 3D/plane-strain case, and it is valid for any stored energy function (e.g. for soft materials). Hyperelasticity-based nonlinear kinematic hardening at large strains, which preserves Masing's rules if desired, is also included in the formulation. The consistent tangent moduli tensor for the plane stress subspace is also derived to provide the asymptotic second order convergence of Newton algorithms during global equilibrium iterations. Some numerical examples are presented in order to evaluate both the congruency with the equivalent 3D formulation and the numerical performance of the proposed plane-stress projected algorithm.

Anisotropy of the effective toughness of layered media

This continues the study of the effective toughness of layered materials started in Hossain et al. (2014) and Hsueh et al. (2018), with a focus on anisotropy. We use the phase-field model and the surfing boundary condition to propagate a crack macroscopically at various angles to the layers. We study two idealized situations, the first where the elastic modulus is uniform while the toughness alternates and a second where the toughness is uniform and the elastic modulus alternates. We find that in the first case of toughness heterogeneity the effective toughness displays ‘anomalous isotropy’ in that it is independent of the propagation direction and equal to that of the tougher material except when the crack propagation is parallel to the layers. In the second case of elastic heterogeneity, we find the behavior more anisotropic and consistent with the toughening effects of stress fluctuation and need for crack renucleation at the compliant-to-stiff interface. In both cases, the effective toughness is not convex in the sense of interfacial energy or Wulff shape reflecting the fact that crack propagation follows a critical path. Further, in both cases the crack path is not straight and consistent with a maximal dissipation principle. Finally, the effective toughness depends on the contrast and pinning, rather than on the extent of crack fluctuation.

A canonical rate-independent model of geometrically linear isotropic gradient plasticity with isotropic hardening and plastic spin accounting for the Burgers vector

In this paper we propose a canonical variational framework for rate-independent phenomenological geometrically linear gradient plasticity with plastic spin. The model combines the additive decomposition of the total distortion into non-symmetric elastic and plastic distortions, with a defect energy contribution taking account of the Burgers vector through a dependence only on the dislocation density tensor Curl(p) giving rise to a non-symmetric nonlocal backstress, and isotropic hardening response only depending on the accumulated equivalent plastic strain. The model is fully isotropic and satisfies linearized gauge-invariance conditions, i.e., only true state-variables appear. The model satisfies also the principle of maximum dissipation which allows to show existence for the weak formulation. For this result, a recently introduced Korn's inequality for incompatible tensor fields is necessary. Uniqueness is shown in the class of strong solutions. For vanishing energetic length scale, the model reduces to classical elasto-plasticity with symmetric plastic strain sym(p) and standard isotropic hardening.