Publications

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Stress Birth and Death: Disruptive Computational Mechanics and Novel Diagnostics for Fluid-to-Solid Transitions

Rao, Rekha R.; McConnell, Joshua T.; Grillet, Anne M.; McMaster, Anthony M.; Cleaves, Helen L.; Roberts, Christine C.; Ortiz, Weston O.; Secor, Robert S.; Newell, Pania N.; Dey, Bikash D.; Rogers, Simon R.; Donley, Gavin D.; Kamani, Krutarth K.; Griebler, Jimmy G.

Many materials of interest to Sandia transition from fluid to solid or have regions of both phases coexisting simultaneously. Currently there are, unfortunately, no material models that can accurately predict this material response. This is relevant to applications that "birth stress" related to geoscience, nuclear safety, manufacturing, energy production and bioscience. Accurately capturing solidification and residual stress enables fully predictive simulations of the evolving front shape or final product. Accurately resolving flow of proppants or blood could reduce environmental impact or lead to better treatments for heart attacks, thrombosis, or aneurism. We will address a science question in this proposal: When does residual stress develop during the critical transition from liquid to solid and how does it affect material deformation? Our hypothesis is that these early phases of stress development are critical to predictive simulation of material performance, net shape, and aging. In this project, we use advanced constitutive models with yield stress to represent both fluid and solid behavior simultaneously. The report provides an abbreviated description of the results from our LDRD "Stress Birth and Death: Disruptive Computational Mechanics and Novel Diagnostics for Fluid-to-Solid Transitions," since we have written four papers that document the work in detail and which we reference. We give highlights of the work and describe the gravitationally driven flow visualization experiment on a model yield stress fluid, Carbopol, at various concentrations and flow rates. We were able to collapse the data on a single master curve by showing it was self-similar. We also describe the Carbopol rheology and the constitutive equations of interest including the Bingham-Carreau-Yasuda model, the Saramito model, and the HB-Saramito model including parameter estimation for the shear and oscillatory rheology. We present several computational models including the 3D moving mesh simulations of both the Saramito models and Bingham-Carreau-Yasuda (BCY) model. We also show results from the BCY model using a 3D level set method and two different ways of handling reduced order Hele-Shaw modeling for generalized Newtonian fluids. We present some first ever two-dimensional results for the modified Jeffries Kamani-Donley-Rogers constitutive equation developed during this project. We include some recent results with a successful Saramito-level set coupling that allows us to tackle problems with complex geometries like mold filling in a thin gap with an obstacle, without the need for remeshing or remapping. We report on some experiments for curing systems where fluorescent particles are used to track material flow. These experiments were carried out in an oven on Sylgard 184 as a model polymerizing system. We conclude the report with a summary of accomplishments and some thoughts on follow-on work.

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Credible, Automated Meshing of Images (CAMI)

Roberts, Scott A.; Donohoe, Brendan D.; Martinez, Carianne M.; Krygier, Michael K.; Hernandez-Sanchez, Bernadette A.; Foster, Collin W.; Collins, Lincoln; Greene, Benjamin G.; Noble, David R.; Norris, Chance A.; Potter, Kevin M.; Roberts, Christine C.; Neal, Kyle D.; Bernard, Sylvain R.; Schroeder, Benjamin B.; Trembacki, Bradley L.; LaBonte, Tyler L.; Sharma, Krish S.; Ganter, Tyler G.; Jones, Jessica E.; Smith, Matthew D.

Abstract not provided.

Thermal conductivity measurements and modeling of ceramic fiber insulation materials

International Journal of Heat and Mass Transfer

Headley, Alexander H.; Hileman, Michael B.; Robbins, Aron R.; Piekos, Edward S.; Stirrup, Emily K.; Roberts, Christine C.

Ceramic fiber insulation materials are used in numerous applications (e.g. aerospace, fire protection, and military) for their stability and performance in extreme environments. However, the thermal properties of these materials have not been thoroughly characterized for many of the conditions that they will be exposed to, such as high temperatures, pressures, and alternate gaseous atmospheres. The resulting uncertainty in the material properties can complicate the design of systems using these materials. In this study, the thermal conductivity of two ceramic fiber insulations, Fiberfrax T-30LR laminate and 970-H paper, was measured as a function of atmospheric temperature and compression in an air environment using the transient plane source technique. Furthermore, a model is introduced to account for changes in thermal conductivity with temperature, compression, and ambient gas. The model was tuned to the collected experimental data and results are compared. The tuned model is also compared to published data sets taken in argon, helium, and hydrogen environments and agreement is discussed.

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Manufacturing Induced Residual Stress Development and Deformation in PMDI-10 Structural Foam

Rao, Rekha R.; Long, Kevin N.; Roberts, Christine C.; Soehnel, Melissa M.; Johnson, Kyle J.

In this report, we investigate how manufacturing conditions result in the warpage of moderate density PMDI polyurethane foam (12-50 lb/ft 3 ) when they are released from a mold. We have developed a multiphysics modeling framework to simulate the manufacturing process including resin injection, foaming and mold filling, gelation of the matrix, elevated cure, vitrification, cool down, and demolding. We have implemented this framework within the Sierra Mechanics Finite Element Code Suite. We couple Aria for flow, energy conservation, and foaming/curing kinetics with Adagio for the nonlinear viscoelastic solid response in a multi-staged simulation process flow. We calibrate a model for the PMDI-10S (10 lb/ft 3 free rise foam) through a suite of characterization data presented here to calibrate the solid cure behavior of the foam. The model is then used and compared to a benchmark experiment, the manufacturing and warpage over 1 year of a 10 cm by 10 cm by 2.5 cm foam "staple'. This component features both slender and thick regions that warp considerably differently over time. Qualitative agreement between the model and the experiment is achieved but quantitative accuracy is not. 2

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The kinetics of polyurethane structural foam formation: Foaming and polymerization

AIChE Journal

Rao, Rekha R.; Mondy, L.A.; Long, Kevin N.; Celina, Mathias C.; Wyatt, Nicholas B.; Roberts, Christine C.; Soehnel, Melissa M.; Brunini, Victor B.

Kinetic models have been developed to understand the manufacturing of polymeric foams, which evolve from low viscosity Newtonian liquids, to bubbly liquids, finally producing solid foam. Closed-form kinetics are formulated and parameterized for PMDI-10, a fast curing polyurethane, including polymerization and foaming. PMDI-10 is chemically blown, where water and isocyanate react to form carbon dioxide. The isocyanate reacts with polyol in a competing reaction, producing polymer. Our approach is unique, although it builds on our previous work and the polymerization literature. This kinetic model follows a simplified mathematical formalism that decouples foaming and curing, including an evolving glass transition temperature to represent vitrification. This approach is based on IR, DSC, and volume evolution data, where we observed that the isocyanate is always in excess and does not affect the kinetics. The kinetics are suitable for implementation into a computational fluid dynamics framework, which will be explored in subsequent articles. © 2017 American Institute of Chemical Engineers AIChE J, 63: 2945–2957, 2017.

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Results 1–50 of 111
Results 1–50 of 111