Nonequilibrium stretching dynamics of dilute and entangled linear polymers in extensional flow

We propose an extension of the FENE-CR model for dilute polymer solutions [M.D. Chilcott, J.M. Rallison, Creeping flow of dilute polymer solutions past cylinders and spheres, J. Non-Newtonian Fluid Mech. 29 (1988) 382–432] and the Rouse-CCR tube model for linear entangled polymers [A.E. Likhtman, R.S. Graham, Simple constitutive equation for linear polymer melts derived from molecular theory: Rolie–Poly equation, J. Non-Newtonian Fluid Mech. 114 (2003) 1–12], to describe the nonequilibrium stretching dynamics of polymer chains in strong extensional flows. The resulting models, designed to capture the progressive changes in the average internal structure (kinked state) of the polymer chain, include an ‘effective’ maximum contour length that depends on local flow dynamics. The rheological behavior of the modified models is compared with various results already published in the literature for entangled polystyrene solutions, and for the Kramers chain model (dilute polymer solutions). It is shown that the FENE-CR model with an ‘effective’ maximum contour length is able to describe correctly the hysteretic behavior in stress versus birefringence in start-up of uniaxial extensional flow and subsequent relaxation also observed and computed by Doyle et al. [P.S. Doyle, E.S.G. Shaqfeh, G.H. McKinley, S.H. Spiegelberg, Relaxation of dilute polymer solutions following extensional flow, J. Non-Newtonian Fluid Mech. 76 (1998) 79–110] and Li and Larson [L. Li, R.G. Larson, Excluded volume effects on the birefringence and stress of dilute polymer solutions in extensional flow, Rheol. Acta 39 (2000) 419–427] using Brownian dynamics simulations of bead–spring model. The Rolie–Poly model with an ‘effective’ maximum contour length exhibits a less pronounced hysteretic behavior in stress versus birefringence in start-up of uniaxial extensional flow and subsequent relaxation.     

Direct simulation of flexible fibers

A numerical simulation of multiple flexible fibers in suspension in Newtonian simple shear flow is presented. The method used is similar to those of previous recent simulation works by Fan et al. [J. Non-Newtonian Fluid Mech. 74 (1998) 113] and Yamane et al. [J. Non-Newtonian Fluid Mech. 54 (1994) 405], however, the method has been modified to allow a small amount of bending and torsion in the fibers. A restoring moment acts to straighten the fibers as they interact in the flow.It is demonstrated that this simulation can be used to extract basic rheological information about the suspension including fiber orientations and suspension viscosity. The viscosity of semi-concentrated to concentrated flexible fiber suspensions are shown to increase by a magnitude of the order 7–10% greater than the equivalent rigid fiber suspension tested. This is in qualitative agreement with previous experimental work by Goto et al. [Rheologica Acta 25 (1986) 119] and Blakeney [J. Colloid Interface Sci. 22 (1966) 324]. The implication is that any constitutive relation involving particulate suspensions described by orientation vectors may quantitatively underestimate suspension viscosity, particularly for fibers of large aspect ratio, or low Young’s modulus, whereby the tendency to flex is greater [Rheologica Acta 25 (1986) 119]. If particulate deformation were accounted for (by whatever means) in the existing constitutive relationship, predictions of bulk suspension parameters such as viscosity should be noticeably improved. A method is developed to modify an existing rigid-fiber viscosity to an equivalent flexible fiber viscosity, hence improving viscosity prediction ability.     

A model of high speed penetration into ductile targets

A model developed by Mileiko et al. [J. Appl. Mech. Tech. Phys. 5 (1981) 711–713; Theor. Appl. Fracture Mech. 21 (1994) 9–16] describing a high speed penetration of an impactor into a ductile target is generalized.     

A method for calculating rheological and morphological properties of constant-volume polymer blend models in inhomogeneous shear fields

We show how to formulate two-point boundary-value problems in order to compute fully-developed laminar channel and tube flow profiles for viscoelastic fluid models. The formulation is applied to Couette and pressure-driven flows separately, or a combination of both. The application of this methodology is illustrated analytically for the Upper-Convected Maxwell Model, and it is applied computationally for the Phan-Thien/Tanner and Giesekus Models. Numerical solutions exist for the last two models [J.Y. Yoo, H.C. Choi, On the steady simple shear flows of the one-mode Giesekus fluid, Rheol. Acta 28 (1989) 13–24; P.J. Oliveira, F.T. Pinho, Analytical solution for fully developed channel and pipe flow of Phan-Thien–Tanner fluids, J. Fluid Mech. 387 (1999) 271–280; M.A. Alves, F.T. Pinho, P.J. Oliveira, Study of steady pipe and channel flows of a single-mode Phan-Thien–Tanner fluid, J. Non-Newtonian Fluid Mech. 101 (2001) 55–76], allowing verification of the computational technique. Subsequently, the computational algorithm is applied to the constant-volume polymer blend models of Maffettone and Minale [P.L. Maffettone, M. Minale, Equation of change for ellipsoidal drops in viscous flow, J. Non-Newtonian Fluid Mech. 84 (1999) 105–106 (Erratum), J. Non-Newtonian Fluid Mech. 78 (1998) 227–241] and Dressler and Edwards [M. Dressler, B.J. Edwards, The influence of matrix viscoelasticity on the rheology of polymer blends, Rheol. Acta 43 (2004) 257–282; M. Dressler, B.J. Edwards, Rheology of polymer blends with matrix-phase viscoelasticity and a narrow droplet size distribution, J. Non-Newtonian Fluid Mech. 120 (2004) 189–205]. Rheological and morphological properties of the model blends are thus obtained as functions of the spatial position within the channel, applied pressure drop, and shear rate at the wall.     

Elastic fields of 2D and 3D misfit particles in an infinite medium

In micromechanics, accurate quantification of the elastic field (stress, strain, and displacement) caused by the presence of an inclusion in an infinite body is desired for both the particle and matrix materials. Ideally, the solution should be applicable to any particle geometry or shape and for any distribution of misfit along the interface (i.e. misfit profile). This work presents a dislocation-based numerical method, that is an extension to earlier work in this journal [Lerma, J.D., Khraishi, T., Shen, Y.L., Wirth, B.D., 2003. The elastic fields of misfit cylindrical particles: a dislocation-based numerical approach. Mech. Res. Commun. 30, 325–334], for determining the elastic fields of volume misfit particles with arbitrary misfit distribution or particle shape.     

Numerical modelling of the plasticity induced during diffusive transformation. An ensemble averaging approach for the case of random arrays of nuclei

The grounds of a numerical modelling of the mechanical consequences of diffusive phase transformation in solids have been established by Leblond [Leblond, J.B., Mottet, G., Devaux, J.C., 1986. A theoretical and numerical approach to the plastic behavior of steels during phase transformations I: derivation of general relations, J. Mech. Phys. Solids 34 (4) 395–409] and Ganghoffer [Ganghoffer, J.F., Denis, S., Gautier, E., Simon, A., Sjöström, S., 1993. Finite element calculation of the micromechanics of a diffusional transformation, Eur. J. Mech. A Solids 12 (1) 21–32]: this modelling resorts to the FE method to evaluate the stress and strain fields which ensure the mechanical equilibrium between a diffusionaly growing phase and its parent phase. It has been the subject of a thorough analysis in [Barbe, F., Quey, R., Taleb, L., 2007. Numerical modelling of the plasticity induced during diffusive transformation. Case of a cubic array of nuclei, Eur. J. Mech. A Solids 26, 611–625] which has evidenced the main limit underlying this modelling with regard to physics, relative to the fact that nuclei are implicitly positioned according to a periodic array. The present work proposes, in details, an extension to the case of nuclei instantaneously appearing at random positions in a quasi infinite homogeneous medium. It constitutes a fundamental step towards a numerical modelling explicitly taking into account the crystalline plasticity and the morphology of the transforming medium.     

Dynamics of viscoelastic liquid filaments: Low capillary number flows

Many applications of viscoelastic free surface flows requiring formation of drops from small nozzles, e.g., ink-jet printing, micro-arraying, and atomization, involve predominantly extensional deformations of liquid filaments. The capillary number, which represents the ratio of viscous to surface tension forces, is small in such processes when drops of water-like liquids are formed. The dynamics of extensional deformations of viscoelastic liquids that are weakly strain hardening, i.e., liquids for which the growth in the extensional viscosity is small and bounded, are here modeled by the Giesekus, FENE-P, and FENE-CR constitutive relations and studied at low capillary numbers using full 2D numerical computations. A new computational algorithm using the general conformation tensor based constitutive equation [M. Pasquali, L.E. Scriven, Theoretical modeling of microstructured liquids: a simple thermodynamic approach, J. Non-Newtonian Fluid Mech. 120 (2004) 101–135] to compute the time dependent viscoelastic free surface flows is presented. DEVSS-TG/SUPG mixed finite element method [M. Pasquali, L.E. Scriven, Free surface flows of polymer solutions with models based on conformation tensor, J. Non-Newtonian Fluid Mech. 108 (2002) 363–409] is used for the spatial discretization and a fully implicit second-order predictor–corrector scheme is used for the time integration. Inertia, capillarity, and viscoelasticity are incorporated in the computations and the free surface shapes are computed along with all the other field variables in a fully coupled way. Among the three models, Giesekus filaments show the most drastic thinning in the low capillary number regime. The dependence of the transient Trouton ratio on the capillary number in the Giesekus model is demonstrated. The elastic unloading near the end plates is investigated using both kinematic [M. Yao, G.H. McKinley, B. Debbaut, Extensional deformation, stress relaxation and necking failure of viscoelastic filaments, J. Non-Newtonian Fluid Mech. 79 (1998) 469–501] and energy analyses. The magnitude of elastic unloading, which increases with growing elasticity, is shown to be the largest for Giesekus filaments, thereby suggesting that necking and elastic unloading are related.     

A deformation theory of strain gradient crystal plasticity that accounts for geometrically necessary dislocations

We propose a deformation theory of strain gradient crystal plasticity that accounts for the density of geometrically necessary dislocations by including, as an independent kinematic variable, Nye's dislocation density tensor [1953. Acta Metallurgica 1, 153-162]. This is accomplished in the same fashion as proposed by Gurtin and co-workers (see, for instance, Gurtin and Needleman [2005. J. Mech. Phys. Solids 53, 1-31]) in the context of a flow theory of crystal plasticity, by introducing the so-called defect energy. Moreover, in order to better describe the strengthening accompanied by diminishing size, we propose that the classical part of the plastic potential may be dependent on both the plastic slip vector and its gradient; for single crystals, this also makes it easier to deal with the “higher-order” boundary conditions. We develop both the kinematic formulation and its static dual and apply the theory to the simple shear of a constrained strip (example already exploited in Shu et al. [2001. J. Mech. Phys. Solids 49, 1361-1395], Bittencourt et al. [2003. J. Mech. Phys. Solids 51, 281-310], Niordson and Hutchinson [2003. Euro J. Mech. Phys. Solids 22, 771-778], Evers et al. [2004. J. Mech. Phys. Solids 52, 2379-2401], and Anand et al. [2005. J. Mech. Phys. Solids 53, 1789-1826]) to investigate what sort of behaviour the new model predicts. The availability of the total potential energy functional and its static dual allows us to easily solve this simple boundary value problem by resorting to the Ritz method.     

A conventional theory of mechanism-based strain gradient plasticity

There exist two frameworks of strain gradient plasticity theories to model size effects observed at the micron and sub-micron scales in experiments. The first framework involves the higher-order stress and therefore requires extra boundary conditions, such as the theory of mechanism-based strain gradient (MSG) plasticity [J Mech Phys Solids 47 (1999) 1239; J Mech Phys Solids 48 (2000) 99; J Mater Res 15 (2000) 1786] established from the Taylor dislocation model. The other framework does not involve the higher-order stress, and the strain gradient effect come into play via the incremental plastic moduli. A conventional theory of mechanism-based strain gradient plasticity is established in this paper. It is also based on the Taylor dislocation model, but it does not involve the higher-order stress and therefore falls into the second strain gradient plasticity framework that preserves the structure of conventional plasticity theories. The plastic strain gradient appears only in the constitutive model, and the equilibrium equations and boundary conditions are the same as the conventional continuum theories. It is shown that the difference between this theory and the higher-order MSG plasticity theory based on the same dislocation model is only significant within a thin boundary layer of the solid.     

Comparison of a quasi-Newtonian fluid with a viscoelastic fluid in planar contraction flow

The flow of a 5.0 wt.% solution of polyisobutylene in tetradecane through a planar 4 : 1 contraction exhibiting a shear thinning viscosity is simulated using the flow-type sensitive quasi-Newtonian fluid model. The shear viscosity is fitted by the Giesekus model, which, with the chosen parameters, leads to an extension thickening elongational viscosity. The stress and velocity fields of the numerical simulations are compared with the experimental results of Quinzani et al. [J. Non-Newtonian Fluid Mech. 52 (1994) 1–36] and the numerical results of the viscoelastic simulation using the Giesekus model of Azaiez et al. [J. Non-Newtonian Fluid Mech. 62 (1996) 253–277]. It can be shown that the quasi-Newtonian fluid qualitatively predicts the essential features of the flow in the vicinity of the contraction.     

A fictitious domain/distributed Lagrange multiplier method for the particulate flow of Oldroyd-B fluids: A positive definiteness preserving approach

In this article we present a numerical method for simulating the sedimentation of circular particles in a two-dimensional channel filled with an Oldroyd-B fluid. We have combined a fictitious domain/distributed Lagrange multiplier method with a factorization approach from Lozinski and Owens [J. Non-Newtonian Fluid Mech. 112 (2003) 161] via an operator splitting technique. The new scheme preserves the positive definiteness of the conformation tensor at the discrete level. The method is validated by performing a convergence study which shows that the results are independent of the mesh and time step sizes. Our results show that when the elasticity number (E) is less than a critical value (which depends upon the blockage ratio), two particles will sediment in the channel-like particles in Newtonian fluids; when the elasticity number is greater than the critical value, chains are formed for the case of two particles sedimenting in an Oldroyd-B fluid and the center line is aligned with the falling direction. These results agree with those presented in [P.Y. Huang, H.H. Hu, and D.D. Joseph, J. Fluid Mech. 362 (1998) 297]. For the cases of three and six particles, when the elasticity number is greater than a critical value and the viscoelastic Mach number is less than one, chains are also formed and move to the center of the channel.     

Implicit finite element formulations for multi-phase transformation in high carbon steel

An anomalous plastic deformation observed during the phase transformation of steels was implemented into the finite element modeling. The constitutive equations for the transformation plasticity originally proposed by Greenwood and Johnson [Greenwood, G.W., Johnson, R.H., 1965. The deformation of metals under small stresses during phase transformation. Proc. Roy. Soc. A 283, 403] and further extended by Leblond et al. [Leblond, J.B., Mottet, G., Devaux, J.C., 1986a. A theoretical and numerical approach to the plastic behavior of steels during phase transformations, I. Derivation of general relations. J. Mech. Phys. Solids 34, 395–409; Leblond, J.B., Mottet, G., Devaux, J.C., 1986b. A theoretical and numerical approach to the plastic behavior of steels during phase transformations, II. Study of classical plasticity for ideal-plastic phases. J. Mech. Phys. Solids 34, 411–432; Leblond, J.B., Devaux, J., Devaux, J.C., 1989a. Mathematical modeling of transformation plasticity in steels, I: case of ideal-plastic phases. Int. J. Plasticity 5, 511–572; Leblond, J.B., 1989b. Mathematical modeling of transformation plasticity in steels, II: coupling with strain hardening phenomena. Int. J. Plasticity 5, 573–591] were modified to consider the thermo-mechanical response of generalized multi-phase steel during phase transformations from austenite at high temperature. An implicit numerical solution procedure to calculate the plastic deformation of each constituent phase was newly proposed and implemented into the general purpose implicit finite element program via user material subroutine. The new algorithms include efficient calculation of consistent tangent modulus for the transformation plasticity and application of general anisotropic yield functions without limitation to the isotropic yield function. Besides the thermo-elastic–plastic constitutive equations, non-isothermal transformation kinetics was characterized by the Johnson–Mehl–Avrami–Kolmogorov (JMAK) equation and additivity relationship for the diffusional transformation, while the model proposed by Koistinen and Marburger was used for the diffusionless transformation. Numerical verifications for the continuous cooling experiments under various loading conditions were conducted to demonstrate the applicability of the developed numerical algorithms to the high carbon steel SK5.     

The coupled effects of plastic strain gradient and thermal softening on the dynamic growth of voids

This paper examines the combined effects of temperature, strain gradient and inertia on the growth of voids in ductile fracture. A dislocation-based gradient plasticity theory [J. Mech. Phys. Solids 47 (1999) 1239, J. Mech. Phys. Solids 48 (2000) 99] is applied, and temperature effects are incorporated. Since a strong size-dependence is introduced into the dynamic growth of voids through gradient plasticity, a cut-off size is then set by the stress level of the applied loading. Only those voids that are initially larger than the cut-off size can grow rapidly. At the early stages of void growth, the effects of strain gradients greatly increase the stress level. Therefore, thermal softening has a strong effect in lowering the threshold stress for the unstable growth of voids. Once the voids start rapid growth, however, the influence of strain gradients will decrease, and the rate of dynamic void growth predicted by strain gradient plasticity approaches that predicted by classical plasticity theories.     

Frictionless contact of two parallel congruent rigid cylindrical surfaces coated with thin elastic transversely isotropic incompressible layers: an analytic solution

The paper deals with a frictionless contact problem of two parallel rigid cylindrical surfaces, one encased in the other, coated with thin elastic transversely isotropic and incompressible layers. The coatings of the two circular cylinders may differ. A simplifying approximation for the displacement in the coating enables the problem to be formulated using stress and strain averaged through the coating thickness (for the method, see [Matthewson, M.J., 1981. Axi-symmetric contact on thin compliant coatings. J. Mech. Phys. Solids 29, 89–113]). Analytical results are obtained for the contact width and contact stress distribution. Given this contact stress distribution, an asymptotic analytical solution for the displacement in the coating is then obtained. The results are applied to the human ankle joint and generalized for articular cartilage with depth-dependent properties.     

Theoretical modeling of microstructured liquids: a simple thermodynamic approach

A new method is presented for accounting for microstructural features of flowing complex fluids at the level of mesoscopic, or coarse-grained, models by ensuring compatibility with macroscopic and continuum thermodynamics and classical transport phenomena. In this method, the microscopic state of the liquid is described by variables that are local expectation values of microscopic features. The hypothesis of local thermodynamic equilibrium is extended to include information on the microscopic state, i.e., the energy of the liquid is assumed to depend on the entropy, specific volume, and microscopic variables. For compatibility with classical transport phenomena, the microscopic variables are taken to be extensive variables (per unit mass or volume), which obey convection-diffusion-generation equations. Restrictions on the constitutive laws of the diffusive fluxes and generation terms are derived by separating dissipation by transport (caused by gradients in the derivatives of the energy with respect to the state variables) and by relaxation (caused by non-equilibrated microscopic processes like polymer chain stretching and orientation), and by applying isotropy. When applied to unentangled, isothermal, non-diffusing polymer solutions, the equations developed according to the new method recover those developed by the Generalized Bracket [J. Non-Newtonian Fluid Mech. 23 (1987) 271; A.N. Beris, B.J. Edwards, Thermodynamics of Flowing Systems with Internal Microstructure, first ed., Oxford University Press, Oxford, 1994] and by the Matrix Model [J. Rheol. 38 (1994) 769]. Minor differences with published results obtained by the Generalized Bracket are found in the equations describing flow coupled to heat and mass transfer in polymer solutions. The new method is applied to entangled polymer solutions and melts in the general case where the rate of generation of entanglements depends nonlinearly on the rate of strain. A link is drawn between the mesoscopic transport equations of entanglements and conformation and the microscopic equation describing the configurational distribution of polymer segment stretch and orientation. Constraints are derived on the generation terms in the transport equations of entanglements and conformation, and the formula for the elastic stress is generalized to account for reversible formation and destruction of entanglements. A simplified version of the transport equation of conformation is presented which includes many previously published constitutive models, separates flow-induced polymer stretching and orientation, yet is simple enough to be useful for developing large-scale computer codes for modeling coupled fluid flow and transport phenomena in two- and three-dimensional domains with complex shapes and free surfaces.     

Thin film/substrate systems featuring arbitrary film thickness and misfit strain distributions. Part I: Analysis for obtaining film stress from non-local curvature information

Current methodologies used for the inference of thin film stress through curvature measurements are strictly restricted to stress and curvature states which are assumed to remain uniform over the entire film/substrate system. Recently Huang, Rosakis and co-workers [Huang, Y., Ngo, D., Rosakis, A.J., 2005. Non-uniform, axisymmetric misfit strain: in thin films bonded on plate substrates/substrate systems: the relation between non-uniform film stresses and system curvatures. Acta Mech. Sin. 21, 362–370; Huang, Y., Rosakis A.J., 2005. Extension of Stoney’s Formula to non-uniform temperature distributions in thin film/substrate systems. The case of radial symmetry. J. Mech. Phys. Solids 53, 2483–2500; Ngo, D., Huang, Y., Rosakis, A. J., Feng, X. 2006. Spatially non-uniform, isotropic misfit strain in thin films bonded on plate substrates: the relation between non-uniform film stresses and system curvatures. Thin Solid Films (in press)] established methods for film/substrate system subject to non-uniform misfit strain and temperature changes. The film stresses were found to depend non-locally on system curvatures (i.e., depend on the full-field curvatures). The existing methods, however, all assume uniform film thickness which is often violated in the thin film/substrate system. We extend these methods to arbitrarily non-uniform film thickness for the thin film/substrate system subject to non-uniform misfit strain. Remarkably the stress-curvature relation for uniform film thickness still holds if the film thickness is replaced by its local value at the point where the stress is evaluated. This result has been experimentally validated in Part II of this paper.     

Extension of the static shakedown theorems to softening materials

A generalization of the static shakedown theorems for elastic plastic hardening solids with isotropic [Mech. Res. Commun. 29 (2002) 159] and anisotropic [Acta Mechanica, 2004] damage accounting for the possibility of material softening is proposed.     

Explicit approximations of the indentation modulus of elastically orthotropic solids for conical indenters

The elastic problem of the contact between an axisymmetric indenter and a general anisotropic (21 independent elastic constants) half space has not been solved explicitly in closed form. Implicit methods to determine the indentation modulus originate from the work of Willis [J. Mech. Phys. Solids 14 (1966) 163]; and are now available for conical, parabolic and spherical indenters [Philos. Mag. A 81 (2001) 447; J. Mech. Phys. Solids 51 (2003) 1701]. The particular case of orthotropy has also been investigated [ASME J. Tribol. 115 (1193) 650, 125 (2003) 223]. This paper proposes an explicit solution for the indentation moduli of a transversely isotropic medium and a general orthotropic medium under rigid conical indentation in the three principal material symmetry directions. The half-space Green’s functions are interpolated from their exact extreme values, then integrated and finally simplified. The proposed closed form expressions are in very good agreement with the implicit solution schemes of [Philos. Mag. A 81 (2001) 447; J. Mech. Phys. Solids 51 (2003) 1701].     

Multidimensional stability of martensite twins under regular kinetics

This paper considers phase boundaries governed by regular kinetic relations as first proposed by Abeyaratne and Knowles [1990. On the driving traction acting on a surface of strain discontinuity in a continuum. J. Mech. Phys. Solids 38 (3), 345-360; 1991. Kinetic relations and the propagation of phase boundaries in solids. Arch. Ration. Mech. Anal. 114, 119-154]. It shows that static configurations of hyperelastic materials, in which two different martensitic (monoclinic) states meet along a planar interface, are dynamically stable towards fully three-dimensional perturbations. For that purpose, the reduced stability (or reduced Lopatinski) function associated to the static twin [Freistühler and Plaza, 2007. Normal modes and nonlinear stability behavior of dynamic phase boundaries in elastic materials. Arch. Ration. Mech. Anal. 186 (1), 1-24] is computed numerically. The results show that the interface is weakly stable under Maxwellian kinetics expressing conservation of energy across the boundary, whereas it is uniformly stable with respect to linearly dissipative kinetic rules of Abeyaratne and Knowles type.