It is widely recognised that the development and optimisation of industrial processes such as extrusion or injection moulding significantly benefit from accurate polymer processing simulations. Such simulations can lead to enormous cost savings, time to market and product improvements. The development of suitable constitutive models and a robust numerical algorithm are required for successful application of such tool to these processes. Appropriate material characterisation is also imperative to select the constitutive model parameters. Despite the importance and maturity of the polymer processing industry, the constitutive modelling of the rheological behaviour of long chain branched polymers presents still fascinating questions that need some answers. A breakthrough in this area was the design of a constitutive equation based on molecular arguments and known as the pom-pom model. The key feature of this model is the presence of separate relaxation times for the orientation and stretch mechanisms. The pompom model has been proved to be very accurate for the modelling of long chain branched polymers in rheometrical flows. Although very promising, this model suffers from numerical and rheological defects that hinder its use in complex flow simulations. To overcome these issues, the Double Convected pom-pom (DCPP) model is proposed. Its predictive capabilities are first analysed in various rheometrical flows including reverse multi-step shear strain and large amplitude oscillatory shear experiments. For complex flow simulation, the DCPP model is implemented in the commercial package POLYFLOW.Model predictions are compared to experimental birefringence data in planar contraction flows. In all cases, a satisfactory agreement is found between numerical simulation and experiments, demonstrating the potential of this model for the simulation of polymer processing operations. The simulations are then extended to three-dimensional geometries. The influence of non-perfectly two-dimensional flows on birefringence data is analysed. It is shown that the impact of these imperfections is strongly dependent on the flow rate. Is is commonly believed that increasing the geometry aspect ratio tends to decrease three-dimensional influence. It is demonstrated that this is verified only if the zero-order fringe does not disappear at any time during the experiment. Finally, a pragmatic approach is introduced to reformulate constitutive equations to explicitly express them in terms of orientation and stretch variables. This procedure is applied to the Phan-Thien Tanner and Giesekus models and both modelsare compared to the DCPP model. Comparing the models in this form, highlights their differences, and allows one to adopt the best features of each. This almost naturally leads to a proposal of a number of modifications to each of these models. The modified models are then assessed in rheometrical flows by comparing model predictions to experimental data. Significant improvements are demonstrated for in particular the Modified Giesekus model and the Modified DCPP: both models perform remarkably well in a range of non-linear rheometric flows, and are therefore promising candidates for predicting industrial flow problems.

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A recently developed crystal-mechanics-based constitutive model for polycrystalline shape-memory alloys (Thamburaja and Anand [1]) is shown to quantitatively predict the in-plane anisotropy of superelastic sheet Ti-Ni to reasonable accord. / Singapore-MIT Alliance (SMA)

In this paper, we study the nonlocal linear bending behavior of functionally graded beams subjected to distributed loads. A finite element formulation for an improved first-order shear deformation theory for beams with five independent variables is proposed. The formulation takes into consideration 3D constitutive equations. Eringen's nonlocal differential model is used to rewrite the nonlocal stress resultants in terms of displacements. The finite element formulation is derived by means of the principle of virtual work. High-order nodal-spectral interpolation functions were utilized to approximate the field variables, which minimizes the locking problem. Numerical results and comparisons of the present formulation with those found in the literature for typical benchmark problems involving nonlocal beams are found to be satisfactory and show the validity of the developed finite element model.

Plastic packaging waste currently forms a significant part of municipal solid waste and as such is causing increasing environmental concerns. Such packaging is largely non-biodegradable and is particularly difficult to recycle or to reuse due largely to its complex compositions. Apart from limited recycling of some easily identifiable packaging wastes that can be separated economically, such as bottles, most packaging waste ends up in landfill sites. In recent years, in an attempt to address this problem in plastic packaging, the development of packaging materials from renewable plant resources has received increasing attention and a wide range of bioplastic materials based on starch are now available. Environmentally these bioplastic materials also reduce reliance on oil resources and have the advantage that they are biodegradable and can be composted upon disposal to reduce the environmental impact. Many food packaging containers are produced by thermoforming processes in which thin sheets are inflated under pressure into moulds to produce the required thin -wall structures. Hitherto these thin sheets have almost exclusively been made of oilbased polymers and it is for these that computational models of thermoforming processes have been developed. Recently, in the context of bioplastics, commercial thermoplastic starch sheet materials have been developed. The behaviour of such materials is influenced both by temperature and, because of the inherent hydrophilic characteristics of the materials, by moisture content. Both of these aspects affect the behaviour of bioplastic sheets during the thermoforming process. This thesis describes experimental work and work on the computational modelling of thermoforming processes for thermoplastic starch sheets using a commercially available material. The experimental work has been carried in order to characterise the deformation behaviour of the material with regard to different temperature, moisture contents and strain rates. Thermoforming of the material was performed and samples produced were used for comparison and verification of the computational modelling of the thermoforming process. In the first attempt to model the thermoforming process, a hyperelastic constitutive equation was established to approximate the material behaviour taking account of the combined effects of temperature and moisture content and a simple ii membrane model with constrained deformation was used to model an axisymmetric case of thermoforming. Simulations with this model showed that moisture content mostly affects the pressure required to push the sheet into the mould while moisture variation during thermoforming has little effect on the final thickness distribution of the product. Considerable discrepancies were found in the thickness distribution between the predictions from the model and the experimental measurements. Further attempts were made to take account of the elasto-plastic behaviour of the material and a more complex three-dimensional FE model was developed using ANSYS/LS-DYNA. Based on the findings in the simpler modelling work, no attempt was made to incorporate the moisture content effect on material behaviour but the material parameters for the elasto-plastic constitutive equation were obtained from high speed tensile tests so that moisture variation during thermoforming could be minimised and neglected. The predictions from this model have led to significant improvements in prediction of the thickness distribution which has become much closer to the experimental measurements in comparison with the hyperelastic model. This work provides some important insights into thermoforming of thermoplastic starch materials: a) Deformation behaviour of such materials depends strongly on the moisture content and the temperature, both of which affect behaviour during thermoforming processes, including the preheating stage; b) moisture variation during the thermoforming process has a significant effect on the pressure required for the deformation. This also leads to variation of moisture content distribution in the final product, which in turn affects the material properties such as ductility or impact strength at different positions in the thermoformed structure; c) thermoforming of thermoplastic starch materials can be simulated more accurately by an elasto-plastic model and the LS-DYNA algorithm in comparison with a hyperelastic membrane model. This work has provided useful information on thermoforming of thermoplastic starch materials with particular reference to the design of thermoforming tools and to the careful control of processing conditions including preheating. It has also laid a solid foundation for future work on how the moisture variation impacts on the formation of defects such as incomplete forming due to material hardening and fracture due to loss of ductility.

In metal powder compaction, density non-uniformity due to friction can be a source of flaws. Currently in industry, uniform density distribution is achieved by the optimization of punch motions through trial and error. This method is both costly and time consuming. Over the last decade, the finite element (FE) method has received significant attention as an alternative to the trial and error method; however, there is still lack of an accurate and robust material model for the simulation of metal powder compaction. In this study, Cam-clay and Drucker-Prager cap (DPC) material models were implemented into the commercial FE software ABAQUS/Explicit using the user-subroutine VUMAT. The Cam-clay model was shown to be appropriate for simple geometries. The DPC model is a pressure-dependent, non-smooth, multi-yield surface material model with a high curvature in the cap yield surface. This high curvature tends to result in instability issues; a sub-increment technique was implemented to address this instability problem. The DPC model also shows instability problems at the intersection of the yield surfaces; this problem was solved using the corner region in DPC material models for soils. The computational efficiency of the DPC material model was improved using a novel technique to solve the constitutive equations. In a case study it was shown that the numerical technique leads to a 30% decrease in computational cost, while degrading the accuracy of the analysis by only 0.4%. The forward Euler method was shown to be accurate in the integration of the constitutive equations using an error control scheme. Experimental tests were conducted where cylindrical-shaped parts were compacted from Distaloy AE iron based powder to a final density of 7.0 g/cm3. To measure local density, metallography and image processing was used. The FE results were compared to experimental results and it was shown that the FE analysis predicted local relative density within 2% of the actual experimental density. / Thesis (Ph.D, Mechanical and Materials Engineering) -- Queen's University, 2010-09-23 12:15:27.371

Aluminum alloys are a suitable substitution for heavy ferrous alloys in automobile structures. The purpose of this study was to investigate the flow stress behavior of as-cast and homogenized A535 aluminum alloy under various deformation conditions. A hot compression test of A535 alloy was performed in the temperature range of 473-673 K (200-400˚C) and strain rate range of 0.005-5 s-1 using a GleebleTM machine. Experimental data were fitted to Arrhenius-type constitutive equations to find material constants such as n, nʹ, β, A and activation energy (Q). Flow stress curves for as-cast and homogenized A535 alloy were predicted using an extended form of the Arrhenius constitutive equations. The dynamic shock load response of the alloy was studied using a split Hopkinson pressure bar (SHPB) test apparatus. The strain rate used ranged from 1400 s-1 to 2400 s-1 for as-cast and homogenized A535 alloy. The microstructures of the deformed specimens under different deformation conditions were analyzed using optical microscopy (OM) and scanning electron microscopy (SEM). Obtained true stress-true strain curves at elevated temperatures showed that the flow stress of the alloy increased by increasing the strain rate and decreasing the temperature for both as-cast and homogenized specimens. The homogenization heat treatment showed no effect on the mechanical behavior of the A535 alloy under hot deformation conditions. Hot deformation activation energy for both as-cast and homogenized A535 alloy was calculated to be 193 kJ/mol, which is higher than that for self-diffusion of pure aluminum (142 kJ/mol). The calculated stress values were compared with the measured ones and they showed good agreement by the correlation coefficient (R) of 0.997 and the average absolute relative error (AARE) of 6.5 %. The peak stress and the critical strain at the onset of thermal softening increased with strain rate for both the as-cast and homogenized A535 alloy. Homogenization heat treatment affected the high strain-rate deformation of the alloy, by increasing the peak stress and the thermal softening onset strain compared to those obtained for as-cast specimens. Deformed shear bands (DSBs) were formed in both the as-cast and homogenized A535 alloy in the strain rate range of 2000-2400 s-1.

The objectives of this work are to discuss multiscale models that are used to characterize the constitutive relations of the granular composite materials with dual functions. This is accomplished by the use of ab initio methods to obtain the constitutive relations of the structural energetic materials without conducting tests. First, it is necessary to study the quantum many body problem to quantitatively determine the internal energy of the material when subjected to different strain conditions. It is impossible to obtain an exact solution to the quantum many body problem that is modeled by the Schrödinger's equations with the current technology. It is possible to solve these equations approximately by the density functional theory which yields only energies at absolute 0ºK. Thus it becomes necessary to add both the lattice thermal contributions and electron thermal contribution. Then, resulting energy is used to bridge to the continuum level and obtain the constitutive equations. This is the procedure that is used in this work. The issues of the constitutive equations form the focus of this thesis. More specifically, the scope of the thesis is further restricted to analyze the constitutive equations of specific mixtures of nickel, aluminum with PTFE or Teflon as the binder. It is to be noted that the equations of state forms only a part of the complete constitutive relationships. This thesis presents solutions to the following problems: (1) Determination of the thermodynamically complete equation of state of the binder and the energetic material PTFE or Teflon, from ab initio methods based on the density functional theory. (2) Determination of the equations of state of the granular composite or the mixture of nickel, aluminum and PTFE from ab initio methods. (3) Determination of the complete constitutive equation of aluminum, from ab initio methods, under conditions of finite deformations, with principle of objectivity, material symmetry conditions and polyconvexity of the strain energy. All results are compared to test results whenever they are available.

A estimação de parâmetros de equações constitutiva viscoelásticas, tipicamente efetuada através de diferentes tipos de reômetros, pode ser uma tarefa árdua, especialmente no que diz respeito à estimação de parâmetros não lineares. Nas últimas décadas houve grande progresso no desenvolvimento de novas metodologias para caracterização de fluidos viscoelásticos na região de comportamento viscoelástico não linear e na simulação de escoamentos de fluidos viscoelásticos nesta região. Este trabalho tem como objetivo apresentar uma metodologia de estimação de parâmetros reológicos de equações constitutivas viscoelásticas baseada na comparação recursiva entre valores originados em experimentos com a modelagem em fluidodinâmica computacional do escoamento de referência. Esta metodologia apresenta como vantagem a possibilidade de estimar parâmetros a partir de dados originados em escoamentos mais representativos dos processos industriais, resultando em parâmetros com maior potencial de representar adequadamente o comportamento viscoelástico de um dado material nas suas condições típicas de aplicação. Dois estudos de caso foram implementados de forma a testar a metodologia: o escoamento de um fluido newtoniano entre placas paralelas e o escoamento de um fluido viscoelástico na saída do capilar. A estimação da viscosidade newtoniana foi baseada na comparação entre valores analíticos e numéricos para o gradiente de pressão ao longo do escoamento. A estimação do parâmetro não linear da equação constitutiva viscoelástica de Phan-Thien-Tanner (PTT) foi baseada na diferença entre os perfis de diâmetro numéricos com relação aos valores experimentais para o fenômeno de inchamento do filete de fluido ao emergir da saída do capilar, conhecido como inchamento do extrusado. O erro final obtido para o valor estimado da viscosidade newtoniana foi de 9 % com relação ao valor de referência. Para o parâmetro não linear do modelo PTT o erro para o valor estimado foi de 0,75 % com relação ao valor de referência obtido pela técnica de reometria rotacional. / The estimation of viscoelastic constitutive equations parameters, typically performed through different types of rheometers, can be an arduous task, especially as regards the estimation of nonlinear parameters. In recent years, there has been great progress in developing new methods for the characterization of viscoelastic fluids beyond the linear region and in the simulation of viscoelastic fluid flows in general. This work aims to present a methodology for estimation of rheological parameters of viscoelastic constitutive equations. The methodology is based on recursive comparison between experimentally measured fields with numerically computed ones by a computational fluid dynamics (CFD) model. This methodology has the advantage of estimating parameters through data coming from more representative flows of industrial processes, resulting in parameters with higher potential to represent the viscoelastic behavior of a given material under its typical conditions of application. Two case studies have been used to test this methodology: a steady state shear flow between two parallel plates of a Newtonian fluid and a viscoelastic fluid flow in a capillary. The estimation of Newtonian viscosity was based on the comparison between analytical and numerical values for the pressure gradient along the flow. The estimation of the nonlinear parameter of the viscoelastic constitutive equation Phan-Thien-Tanner was based on the difference between the experimental and numerical diameter profiles of the swelling of the fluid emerging from the capillary opening, known as extrudate swell. The final error obtained for the estimated value of Newtonian viscosity was 9 % compared to the reference value. For nonlinear parameter of PTT model, the error of the estimated value was 0.75 % compared to the reference value obtained through rotational rheometer technique.

A estimação de parâmetros de equações constitutiva viscoelásticas, tipicamente efetuada através de diferentes tipos de reômetros, pode ser uma tarefa árdua, especialmente no que diz respeito à estimação de parâmetros não lineares. Nas últimas décadas houve grande progresso no desenvolvimento de novas metodologias para caracterização de fluidos viscoelásticos na região de comportamento viscoelástico não linear e na simulação de escoamentos de fluidos viscoelásticos nesta região. Este trabalho tem como objetivo apresentar uma metodologia de estimação de parâmetros reológicos de equações constitutivas viscoelásticas baseada na comparação recursiva entre valores originados em experimentos com a modelagem em fluidodinâmica computacional do escoamento de referência. Esta metodologia apresenta como vantagem a possibilidade de estimar parâmetros a partir de dados originados em escoamentos mais representativos dos processos industriais, resultando em parâmetros com maior potencial de representar adequadamente o comportamento viscoelástico de um dado material nas suas condições típicas de aplicação. Dois estudos de caso foram implementados de forma a testar a metodologia: o escoamento de um fluido newtoniano entre placas paralelas e o escoamento de um fluido viscoelástico na saída do capilar. A estimação da viscosidade newtoniana foi baseada na comparação entre valores analíticos e numéricos para o gradiente de pressão ao longo do escoamento. A estimação do parâmetro não linear da equação constitutiva viscoelástica de Phan-Thien-Tanner (PTT) foi baseada na diferença entre os perfis de diâmetro numéricos com relação aos valores experimentais para o fenômeno de inchamento do filete de fluido ao emergir da saída do capilar, conhecido como inchamento do extrusado. O erro final obtido para o valor estimado da viscosidade newtoniana foi de 9 % com relação ao valor de referência. Para o parâmetro não linear do modelo PTT o erro para o valor estimado foi de 0,75 % com relação ao valor de referência obtido pela técnica de reometria rotacional. / The estimation of viscoelastic constitutive equations parameters, typically performed through different types of rheometers, can be an arduous task, especially as regards the estimation of nonlinear parameters. In recent years, there has been great progress in developing new methods for the characterization of viscoelastic fluids beyond the linear region and in the simulation of viscoelastic fluid flows in general. This work aims to present a methodology for estimation of rheological parameters of viscoelastic constitutive equations. The methodology is based on recursive comparison between experimentally measured fields with numerically computed ones by a computational fluid dynamics (CFD) model. This methodology has the advantage of estimating parameters through data coming from more representative flows of industrial processes, resulting in parameters with higher potential to represent the viscoelastic behavior of a given material under its typical conditions of application. Two case studies have been used to test this methodology: a steady state shear flow between two parallel plates of a Newtonian fluid and a viscoelastic fluid flow in a capillary. The estimation of Newtonian viscosity was based on the comparison between analytical and numerical values for the pressure gradient along the flow. The estimation of the nonlinear parameter of the viscoelastic constitutive equation Phan-Thien-Tanner was based on the difference between the experimental and numerical diameter profiles of the swelling of the fluid emerging from the capillary opening, known as extrudate swell. The final error obtained for the estimated value of Newtonian viscosity was 9 % compared to the reference value. For nonlinear parameter of PTT model, the error of the estimated value was 0.75 % compared to the reference value obtained through rotational rheometer technique.