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At least 811 records · Page 45

Mimetic Theory for Cell-Centered Lagrangian Finite Volume Formulation on General Unstructured Grids

A finite volume cell-centered Lagrangian scheme for solving large deformation problems is constructed based on the hypo-elastic model and using the mimetic theory. Rigorous analysis in the context of gas and solid dynamics, and arbitrary polygonal meshes, is presented to demonstrate the ability of cell-centered schemes in mimicking the continuum properties and principles at the discrete level. A new mimetic formulation based gradient evaluation technique and physics-based, frame independent and symmetry preserving slope limiters are proposed. Furthermore, a physically consistent dissipation model is employed which is both robust and inexpensive to implement. The cell-centered scheme along with these additional new features are applied to solve solids undergoing elasto-plastic deformation.

42 ENGINEERING↗

Glass Ceramic Formulation Data Package

A glass ceramic waste form is being developed for treatment of secondary waste streams generated by aqueous reprocessing of commercial used nuclear fuel (Crum et al. 2012b). The waste stream contains a mixture of transition metals, alkali, alkaline earths, and lanthanides, several of which exceed the solubility limits of a single phase borosilicate glass (Crum et al. 2009; Caurant et al. 2007). A multi-phase glass ceramic waste form allows incorporation of insoluble components of the waste by designed crystallization into durable heat tolerant phases. The glass ceramic formulation and processing targets the formation of the following three stable crystalline phases: (1) powellite (XMoO 4 ) where X can be (Ca, Sr, Ba, and/or Ln), (2) oxyapatite Y x, Z (10-x) Si 6 O 26 where Y is alkaline earth, Z is Ln, and (3) lanthanide borosilicate (Ln 5 BSi 2 O 13 ). These three phases incorporate the waste components that are above the solubility limit of a single-phase borosilicate glass. The glass ceramic is designed to be a single phase melt, just like a borosilicate glass, and then crystallize upon slow cooling to form the targeted phases. The slow cooling schedule is based on the centerline cooling profile of a 2 foot diameter canister such as the Hanford High-Level Waste canister. Up to this point, crucible testing has been used for glass ceramic development, with cold crucible induction melter (CCIM) targeted as the ultimate processing technology for the waste form. Idaho National Laboratory (INL) will conduct a scaled CCIM test in FY2012 with a glass ceramic to demonstrate the processing behavior. This Data Package documents the laboratory studies of the glass ceramic composition to support the CCIM test. Pacific Northwest National Laboratory (PNNL) measured melt viscosity, electrical conductivity, and crystallization behavior upon cooling to identify a processing window (temperature range) for melter operation and cooling profiles necessary to crystallize the targeted phases in the waste form.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The Hamiltonian Structure and Euler-Poincare Formulation of the Valsov-Maxwell and Gyrokinetic System

We present a new variational principle for the gyrokinetic system, similar to the Maxwell-Vlasov action presented in Ref. 1. The variational principle is in the Eulerian frame and based on constrained variations of the phase space fluid velocity and particle distribution function. Using a Legendre transform, we explicitly derive the field theoretic Hamiltonian structure of the system. This is carried out with the Dirac theory of constraints, which is used to construct meaningful brackets from those obtained directly from Euler-Poincare theory. Possible applications of these formulations include continuum geometric integration techniques, large-eddy simulation models and Casimir type stability methods.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Melter Testing of New High Bismuth HLW Formulations

The primary objective of the work described was to test two glasses formulated for a high bismuth waste stream on the DM100 melter system. Testing was designed to determine processing characteristics and production rates, assess the tendency for foaming, and confirm glass properties. The glass compositions tested were previously developed to maintain high waste loadings and processing rates while suppressing the foaming observed in previous tests

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Glass Formulation Development and Testing for DWPF High AI 2 O 3 HLW Sludges (Final report)

The principal objective of the work described in this Final Report is to develop and identify glass frit compositions for a specified DWPF high-aluminum based sludge waste stream that maximizes waste loading while maintaining high production rate for the waste composition provided by ORP/SRS. This was accomplished through a combination of crucible-scale, vertical gradient furnace, and confirmation tests on the DM100 melter system. The DM100-BL unit was selected for these tests. The DM100-BL was used for previous tests on HLW glass compositions that were used to support subsequent tests on the HLW Pilot Melter. It was also used to process compositions with waste loadings limited by aluminum, bismuth, and chromium, to investigate the volatility of cesium and technetium during the vitrification of an HLW AZ-102 composition, to process glass formulations at compositional and property extremes, and to investigate crystal settling on a composition that exhibited one percent crystals at 963°C (i.e., close to the WTP limit).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Melt Processed Crystalline Ceramic Waste Forms for Advanced Nuclear Fuel Cycles: CRP T21027 1813: Processing technologies for high level waste, formulation of matrices and characterization of waste forms, Task 17208 (Final Report)

A multi-phase ceramic waste form is being developed at the Savannah River National Laboratory (SRNL) for treatment of secondary waste streams generated by reprocessing commercial spent nuclear. The envisioned waste stream contains a mixture of transition, alkali, alkaline earth, and lanthanide metals. Ceramic waste forms are tailored (engineered) to incorporate waste components as part of their crystal structure based on knowledge from naturally found minerals containing radioactive and non-radioactive species similar to the radionuclides of concern in wastes from fuel reprocessing. The ability to tailor ceramics to mimic naturally occurring crystals substantiates the long term stability of such crystals (ceramics) over geologic timescales of interest for nuclear waste immobilization [1]. A durable multi-phase ceramic waste form tailored to incorporate all the waste components has the potential to broaden the available disposal options and thus minimize the storage and disposal costs associated with aqueous reprocessing. This report summarizes results from three years of work on the IAEA Coordinated Research Project on “Processing technologies for high level waste, formulation of matrices and characterization of waste forms” (T21027), and specific task “Melt Processed Crystalline Ceramic Waste Forms for Advanced Nuclear Fuel Cycles” (17208).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Melt Processed Crystalline Ceramic Waste Forms for Advanced Nuclear Fuel Cycles CRP T21027 1813: Processing technologies for high level waste, formulation of matrices and characterization of waste forms, Task 17208 (Final Report)

A multi-phase ceramic waste form is being developed at the Savannah River National Laboratory (SRNL) for treatment of secondary waste streams generated by reprocessing commercial spent nuclear. The envisioned waste stream contains a mixture of transition, alkali, alkaline earth, and lanthanide metals. Ceramic waste forms are tailored (engineered) to incorporate waste components as part of their crystal structure based on knowledge from naturally found minerals containing radioactive and non-radioactive species similar to the radionuclides of concern in wastes from fuel reprocessing. The ability to tailor ceramics to mimic naturally occurring crystals substantiates the long term stability of such crystals (ceramics) over geologic timescales of interest for nuclear waste immobilization. A durable multi-phase ceramic waste form tailored to incorporate all the waste components has the potential to broaden the available disposal options and thus minimize the storage and disposal costs associated with aqueous reprocessing. This report summarizes results from three years of work on the IAEA Coordinated Research Project on “Processing technologies for high level waste, formulation of matrices and characterization of waste forms” (T21027), and specific task “Melt Processed Crystalline Ceramic Waste Forms for Advanced Nuclear Fuel Cycles” (17208).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

End-Member Formulation of Solid Solutions and Reactive Transport

A model for incorporating solid solutions into reactive transport equations is presented based on an end-member representation. Reactive transport equations are solved directly for the composition and bulk concentration of the solid solution. Reactions of a solid solution with an aqueous solution are formulated in terms of an overall stoichiometric reaction corresponding to a time-varying composition and exchange reactions, equivalent to reaction end-members. Reaction rates are treated kinetically using a transition state rate law for the overall reaction and a pseudo-kinetic rate law for exchange reactions. The composition of the solid solution at the onset of precipitation is assumed to correspond to the least soluble composition, equivalent to the composition at equilibrium. The stoichiometric saturation determines if the solid solution is super-saturated with respect to the aqueous solution. The method is implemented for a simple prototype batch reactor using Mathematica for a binary solid solution. Finally, the sensitivity of the results on the kinetic rate constant for a binary solid solution is investigated for reaction of an initially stoichiometric solid phase with an undersaturated aqueous solution.

97 MATHEMATICS AND COMPUTING↗

Lubricant Formulations to Enhance Engine Efficiency in Modern Internal Combustion Engines

The research program presented aimed to investigate, develop, and demonstrate low-friction, environmentally-friendly and commercially-feasible lubricant formulations that would significantly improve the mechanical efficiency of modern engines without incurring increased wear, emissions or deterioration of the emission-aftertreatment system.

33 ADVANCED PROPULSION SYSTEMS↗

Bench Scale Study of Coating Formulations for Abatement of Mercury Vapor and Recovery of Mercury Spills

A sealant formulation has been developed that effectively mitigates human exposure to elemental mercury vapor evolving from spilled mercury. The sealant may be dispensed using a fogging methodology (for industrial settings) or a common spray bottle (for home or school settings). In parallel, the potential for Hg recovery using strippable coatings was evaluated. Four liquid coatings were evaluated: one fogging fixative (FX2) developed at INL for the containment of surface and airborne contamination and three commercially available strippable decontamination gels (Carboset 441, Encor 449, and Stripcoat TLC Free). Bench scale mercury vapor abatement tests were conducted in an enclosure using FX2 with the addition of a mercury absorbent and a mercury reactant. Testing with FX2 showed the reactant contributed significantly to reducing the rate of mercury evaporation. The reactant had a minimal impact on the mercury evaporation rate for the strippable coatings. The potential of strippable coatings to remove/recover mercury was inferred from the adhesive and cohesive performance of sprayable dilutions of the coatings applied to porous and non-porous surfaces. Testing provided the following results: • Mercury vapor concentration was reduced by a factor of 40 using the reactant enhanced FX2 solution, as well as with dilutions of Carboset and Encor. Dilute Stripcoat was less effective at reducing Hg evaporation. • A 100× reduction in Hg evaporation rate was achieved using a coating of FX + the Hg reactant (a.k.a. FX Hg), compared to uncoated Hg. • A 2× reduction in the Hg vapor accumulation rate was achieved using FX Hg, compared to the strippable coatings. • Strippability and adhesion tests show that dilutions of Carboset and Stripcoat can be stripped from a variety of indoor surfaces. Dilute Encor was not strippable. Results suggest FX Hg and dilute Carboset will likely reduce Hg vapor concentrations, in an indoor setting, to a level at or below the Occupational Safety and Health Administration 8-hour human exposure limit (0.1 mg/m3). FX Hg dispensed via fogging would increase worker safety during remediation and demolition of industrial facilities with high levels of elemental mercury contamination. When applied via spray bottle, FX Hg may provide a safe and convenient method for the mitigation of Hg vapor in residential or commercial settings (e.g., offices, homes, schools). This approach would be most beneficial where recovery of the spilled Hg is impractical. A sprayed then stripped application of dilute Carboset may provide a safe and convenient method for recovery of small Hg spills in residential and commercial settings. Further testing is required to determine if liquid Hg sufficiently adheres to the strippable coating to be recovered in this way. If it can be dispensed as a fog, dilute Carboset could be employed to recover Hg contamination in industrial settings. Testing of the foggability of dilute Carboset is required to assess this potential.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Regularized Finite Element Formulations for Shear Band Instabilities in Metals

In my research I have addressed several fundamental issues of dynamic fracture: 1. established the role of heat conduction as a natural regularizing mechanism in shearband problems (i.e. using the correct physics for this problem), 2. developed a unified model to incorporate fracture through a modified phase field formulation, 3. developed stability analysis tools to determine the onset of localization, 4. developed discretization methods and solvers to solve this problem (on parallel computers) that lead to mesh insensitive results and fast convergence. For such difficult problems, the physics and numerics are strongly coupled. To accurately model the physics, one must develop reliable numerics but reliable numerics depends on correct description of the physics. To this end, we have already made significant progress in the field showing that a fully-coupled implicit solution with heat conduction is the key to obtain reliable results for shear bands (see the next sections for more details). This research fits well within the mission of DOE ASCR program on all aspects: from governing equations to discretization to solvers to parallel computers to applications problems. It also relies on the computational tools developed through the SciDAC institutes FASTMath and SDAV, such as PETSc (and SLEPc), ParaView, Trilinos and Masquite.

97 MATHEMATICS AND COMPUTING↗

A Novel Lubricant Formulation Scheme for 2% Fuel Efficiency Improvement. EE0006449_Final Technical Report

Novel lubricant formulations for improving vehicle fuel efficiency by at least 2% without adversely impacting vehicle performance or durability. In particular, this objective is to be achieved through: (1) reducing friction due to asperity rubbing in start-up and low-speed operations, (2) temporarily reducing the lubricant viscosity (temporary shear-thinning) in medium- to high-speed cruise operations, and (3) suppressing oil aeration or foaming responsible for lubrication breakdown in high-speed operations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Stress and tangent update equations for combined time-hardening creep and J 2 plasticity in an implicit hypo-elastic formulation

This work is motivated by the need to analyze the behavior of metallic nuclear fuels which under normal operating conditions build up stresses due to non-homogeneous thermal expansion, fission gas and solid product swelling among other phenomena that are simultaneously relaxed by creep and plastic flow. This report details the stress and tangent update equations for combined J 2 based rate independent plasticity and time-hardening creep effects in a fully implicit hypo-elastic formulation involving two cases: pure creep without plasticity where the yield criterion has not yet been met and the combined effect of both creep and plasticity beyond yield. Closed form expressions for the consistent material tangent to be used in both cases are derived which can be used in implicit codes and is expected to help in obtaining optimal convergence rates.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A general constitutive framework for the combined creep, plasticity and swelling behavior of nuclear fuels in an implicit hypoelastic formulation

This work is motivated by the need to analyze the behavior of nuclear fuels which under normal operating conditions build up stresses due to non-homogeneous thermal expansion, fission gas and solid product swelling among other phenomena that are simultaneously relaxed by creep and plastic flow. This report details the stress and tangent update equations for combined J2 based rate independent plasticity, timehardening creep and fission gas induced swelling e ects in a fully implicit hypo-elastic formulation involving two cases: pure creep without plasticity where the yield criterion has not yet been met and the combined e ect of both creep and plasticity beyond yield. Closed form expressions for the consistent material tangent to be used in both cases are derived which can be used in implicit codes and is expected to help in obtaining optimal convergence rates.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Formulation And Implementation of A 1.75D Streamer Model

Streamers are a type of ionization wave occurring during the early time phase of a gas discharge. They are typically launched when the evolving space charge of an electron avalanche reaches a certain critical level, beyond which the field of the space charge itself is sufficient to drive further evolution of the ionization process. One of the most common ways to model streamers is known as a 1.5D model where the field of a uniformly charged set of discs of chosen radius is evaluated along the cylinder axis. This field drives a one-dimensional kinetic ionization process, which results in the nonlinear evolution of the streamer. This model is efficient, but has the drawback of fixing the radius and requiring it as an input parameter. Previously, we tried to extend the 1.5D model to include evolution of its radius by developing a two-step process of axial and radial expansion but we encountered stability issues with the model that we thought could have been due to decoupling the two steps. In this report we introduce a new formulation of a streamer model that includes radial expansion. The goal is to take radial moments of the starting axisymmetric fluid equations and thereby include the radial evolution of the streamer naturally and self-consistently from the beginning. We first develop the fluid model moments without electron attachment. We review the calculation of the electric fields required for the model and investigate approximations to improve computational efficiency. We discuss the code implementation of the model and finally, we add attachment to allow the treatment of electronegative gases.

42 ENGINEERING↗

Different Ways to Formulate the Statistical Theory of Fission Chains

We describe the statistical theory of fission chains and how different ways of formulating it are mathematically equivalent. When confronted with actual data and the burden of finite statistics, different methods of expressing the theory offer advantages for understanding the underlying source parameters from an information theory standpoint.

97 MATHEMATICS AND COMPUTING↗