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At least 361 records · Page 20

Semi-Analytic Reconstruction of Flux in Finite Volume Formulations

Semi-analytic reconstruction uses the analytic solution to a second-order, steady, ordinary differential equation (ODE) to simultaneously evaluate the convective and diffusive flux at all interfaces of a finite volume formulation. The second-order ODE is itself a linearized approximation to the governing first- and second- order partial differential equation conservation laws. Thus, semi-analytic reconstruction defines a family of formulations for finite volume interface fluxes using analytic solutions to approximating equations. Limiters are not applied in a conventional sense; rather, diffusivity is adjusted in the vicinity of changes in sign of eigenvalues in order to achieve a sufficiently small cell Reynolds number in the analytic formulation across critical points. Several approaches for application of semi-analytic reconstruction for the solution of one-dimensional scalar equations are introduced. Results are compared with exact analytic solutions to Burger s Equation as well as a conventional, upwind discretization using Roe s method. One approach, the end-point wave speed (EPWS) approximation, is further developed for more complex applications. One-dimensional vector equations are tested on a quasi one-dimensional nozzle application. The EPWS algorithm has a more compact difference stencil than Roe s algorithm but reconstruction time is approximately a factor of four larger than for Roe. Though both are second-order accurate schemes, Roe s method approaches a grid converged solution with fewer grid points. Reconstruction of flux in the context of multi-dimensional, vector conservation laws including effects of thermochemical nonequilibrium in the Navier-Stokes equations is developed.

Gnoffo, Peter A.↗

A formulation of stability for spacecraft formations

A formulation of stability for a set of spacecraft in formation flight is presented. First, a formation is defined in a precise mathematical form in terms of control interactions. Then, stability is formulated based on input-to-output stability with respect to a partitioning of the formation dynamics. This formulation of stability is shown to be useful in characterizing disturbance propagation in the formation as a function of the partition interconnection topology, and also in analyzing the robustness of sensing, communication, and control topologies. Stability results are presented for hierarchical, cyclic, and disturbance attenuating formations.

formation flyer↗

A New Formulation of Equivalent Effective Stratospheric Chlorine (EESC)

Equivalent effective stratospheric chlorine (EESC) is a convenient parameter to quantify the effects of halogens (chlorine and bromine) on ozone depletion in the stratosphere. We show and discuss a new formulation of EESC that now includes the effects of age-of-air dependent fractional release values and an age-of-air spectrum. This new formulation provides quantitative estimates of EESC that can be directly related to inorganic chlorine and bromine throughout the stratosphere. Using this EESC formulation, we estimate that human-produced ozone depleting substances will recover to 1980 levels in 2041 in the midlatitudes, and 2067 over Antarctica. These recovery dates are based upon the assumption that the international agreements for regulating ozone-depleting substances are adhered to. In addition to recovery dates, we also estimate the uncertainties in the estimated time of recovery. The midlatitude recovery of 2041 has a 95% confidence uncertainty from 2028 to 2049, while the 2067 Antarctic recovery has a 95% confidence uncertainty from 2056 to 2078. The principal uncertainties are from the estimated mean age-of-air, and the assumption that the mean age-of-air and fractional release values are time independent. Using other model estimates of age decrease due to climate change, we estimate that midlatitude recovery may be accelerated from 2041 to 2031.

Newman, P. A.↗

Application of p-Multigrid to Discontinuous Galerkin Formulations of the Poisson Equation

We investigate p-multigrid as a solution method for several different discontinuous Galerkin (DG) formulations of the Poisson equation. Different combinations of relaxation schemes and basis sets have been combined with the DG formulations to find the best performing combination. The damping factors of the schemes have been determined using Fourier analysis for both one and two-dimensional problems. One important finding is that when using DG formulations, the standard approach of forming the coarse p matrices separately for each level of multigrid is often unstable. To ensure stability the coarse p matrices must be constructed from the fine grid matrices using algebraic multigrid techniques. Of the relaxation schemes, we find that the combination of Jacobi relaxation with the spectral element basis is fairly effective. The results using this combination are p sensitive in both one and two dimensions, but reasonable convergence rates can still be achieved for moderate values of p and isotropic meshes. A competitive alternative is a block Gauss-Seidel relaxation. This actually out performs a more expensive line relaxation when the mesh is isotropic. When the mesh becomes highly anisotropic, the implicit line method and the Gauss-Seidel implicit line method are the only effective schemes. Adding the Gauss-Seidel terms to the implicit line method gives a significant improvement over the line relaxation method.

Helenbrook, B. T.↗

An Improved Formulation for Calorimetric Emittance Testing of Spacecraft Thermal Control Coatings

Spacecraft often really heavily on passive thermal control to maintain operating temperature. An important parameter in the spacecraft heat balance equation is the emittance of thermal control coatings as a function of coating temperature. One method for determining the emittance of spacecraft thermal control from elevated temperature to cryogenic temperatures relies on a calorimetric technique. The fundamental equation governing this test method can be found in numerous places in the literature and although it generally provides reasonable results, its formulation is based on a conceptual flaw that only becomes apparent when the sample temperature approaches the wall temperature during testing. This paper investigates the cause for this error and develops the correct formulation for calorimetric emittance testing. Experimental data will also be presented that illustrates the difference between the two formulations and the resulting difference in the calculated emittance.

Kauder, Lonny R.↗

Broadband Noise Prediction When Turbulence Simulation Is Available - Derivation of Formulation 2B and Its Statistical Analysis

We show that a simple modification of Formulation 1 of Farassat results in a new analytic expression that is highly suitable for broadband noise prediction when extensive turbulence simulation is available. This result satisfies all the stringent requirements, such as permitting the use of the exact geometry and kinematics of the moving body, that we have set as our goal in the derivation of useful acoustic formulas for the prediction of rotating blade and airframe noise. We also derive a simple analytic expression for the autocorrelation of the acoustic pressure that is valid in the near and far fields. Our analysis is based on the time integral of the acoustic pressure that can easily be obtained at any resolution for any observer time interval and digitally analyzed for broadband noise prediction. We have named this result as Formulation 2B of Farassat. One significant consequence of Formulation 2B is the derivation of the acoustic velocity potential for the thickness and loading terms of the Ffowcs Williams-Hawkings (FW-H) equation. This will greatly enhance the usefulness of the Fast Scattering Code (FSC) by providing a high fidelity boundary condition input for scattering predictions.

Farassat, Fereidoun↗

JPL's Foundry Furnace: Web-Based Concurrent Engineering for Formulation

The Jet Propulsion Laboratory’s Innovation Foundry is an enterprise tasked with shepherding space mission concepts through the formulation lifecycle. It oversees a number of “virtual teams” for the various stages of formulation. Among these is Team X, which has had considerable success over its more than 20-year history. In a Team X study, domain experts (including engineers devoted to the various spacecraft subsystems) work concurrently and collaboratively over several days to arrive at a feasible point design with a reasonable cost estimate. They use a set of linked Excel workbooks, each developed and approved by a responsible “line organization” within JPL. This toolset has served Team X well over the years, and has evolved since its inception. At the same time, the Innovation Foundry’s portfolio of formulation teams has expanded, and so has the scope of the design challenges they face. The A-Team runs workshop-like architecture studies to focus science investigations, generate mission concepts, assess feasibility, and explore trade spaces. Team Xc performs rapid point design in the style of Team X, but for CubeSats and small spacecraft, using a different toolset. Proposal teams further mature concepts to the point where they can be proposed. Recognizing the importance of trade space modeling combined with new IT services for providing and integrating data, JPL is developing the Foundry Furnace web-based software infrastructure. It will support A-Team, Team Xc, and Team X, providing study management, a catalog of hardware components, a library of re-usable analyses, and a design environment. It is a modernization of JPL’s concurrent engineering infrastructure, embracing the core concepts of Model-Based Systems Engineering, and built with modern software design philosophies.

Murphy, Jonathan↗

A Cohesive Element Formulation for Simulation of General Mode I, II and III Delamination

Cohesive element formulations proposed thus far have assumed that Mode II and Mode III fracture processes, and hence traction-separation laws, are identical. However, experimental observations suggest that such an assumption may not hold in general. The approach described herein consists of a cohesive element formulation in which the assumption of identical Mode II and Mode III fracture processes is not required. This assumption is alleviated by estimating the normal to the delamination front based on the gradient of the displacement jumps determined within each element. The estimated normal is used to rotate the cohesive element coordinate system. Determining the displacement jumps in the rotated coordinate system enables the distinction between Mode II sliding, and Mode III tearing. This information is subsequently used to extend a recently proposed cohesive formulation, resulting in an approach that can simulate mixed-mode I/II/III fracture via prescribing piecewise-linear traction-separation laws combined with a 3D mixed-mode fracture criteria.

Delamination↗

A Physics-Based Work-Energy Formulation for Real-Time Trajectory Guidance of A Lunar Lander

Throughout the years, many researchers have calculated and optimized trajectory solutions for lunar landing systems by employing sophisticated mathematical methods, that include: Hamilton’s Principle of Variation, Pontryagin’s maximum principle, and well known convex-optimization techniques among others. Many of these approaches typically require expensive computational resources to achieve convergence in the solution. In an effort to reduce complexity and the computational load required to obtain real-time guidance commands, a simple physics-based work-energy approach has been formulated. This approach is based on the dissipation of the mechanical energy of the vehicle to its final desired energy state required to achieve a safe landing. The rocket engine(s) employed during landing (among other maneuvers) dissipates mechanical energy by both doing work against the velocity vector of the vehicle (thus defining the trajectory path), and by jettisoning mass. Therefore, by solving the energy dissipation problem at every step of the maneuver, a much simpler formulation that naturally and quickly attains convergence is obtained. This formulation is not limited to approach, landing, and divert maneuvers, but in principle it can be employed during de-orbiting, braking burn, ascent, as well as orbit insertion.

Guidance↗

A Physics-Based Work-Energy Formulation for Real-Time Trajectory Guidance of a Lunar Lander

Throughout the years, many researchers have calculated and optimized trajectory solutions for lunar landing systems by employing sophisticated mathematical methods, that include: Hamilton’s Principle of Variation, Pontryagin’s maximum principle, and well known convex-optimization techniques among others. Many of these approaches typically require expensive computational resources to achieve convergence in the solution. In an effort to reduce complexity and the computational load required to obtain real-time guidance commands, a simple physics-based work-energy approach has been formulated. This approach is based on the dissipation of the mechanical energy of the vehicle to its final desired energy state required to achieve a safe landing. The rocket engine(s) employed during landing (among other maneuvers) dissipates mechanical energy by both doing work against the velocity vector of the vehicle (thus defining the trajectory path), and by jettisoning mass. Therefore, by solving the energy dissipation problem at every step of the maneuver, a much simpler formulation that naturally and quickly attains convergence is obtained. This formulation is not limited to approach, landing, and divert maneuvers, but in principle it can be employed during de-orbiting, braking burn, ascent, as well as orbit insertion.

Guidance↗

Advances in Glass Formulations for Hanford High-Alumimum, High-Iron and Enhanced Sulphate Management in HLW Streams - 13000

The current estimates and glass formulation efforts have been conservative in terms of achievable waste loadings. These formulations have been specified to ensure that the glasses are homogenous, contain essentially no crystalline phases, are processable in joule-heated, ceramic-lined melters and meet Hanford Tank Waste Treatment and Immobilization Plant (WTP) Contract terms. The WTP?s overall mission will require the immobilization of tank waste compositions that are dominated by mixtures of aluminum (Al), chromium (Cr), bismuth (Bi), iron (Fe), phosphorous (P), zirconium (Zr), and sulphur (S) compounds as waste-limiting components. Glass compositions for these waste mixtures have been developed based upon previous experience and current glass property models. Recently, DOE has initiated a testing program to develop and characterize HLW glasses with higher waste loadings and higher throughput efficiencies. Results of this work have demonstrated the feasibility of increases in waste loading from about 25 wt% to 33-50 wt% (based on oxide loading) in the glass depending on the waste stream. In view of the importance of aluminum limited waste streams at Hanford (and also Savannah River), the ability to achieve high waste loadings without adversely impacting melt rates has the potential for enormous cost savings from reductions in canister count and the potential for schedule acceleration. Consequently, the potential return on the investment made in the development of these enhancements is extremely favorable. Glass composition development for one of the latest Hanford HLW projected compositions with sulphate concentrations high enough to limit waste loading have been successfully tested and show tolerance for previously unreported tolerance for sulphate. Though a significant increase in waste loading for high-iron wastes has been achieved, the magnitude of the increase is not as substantial as those achieved for high-aluminum, high-chromium, high-bismuth or sulphur. Waste processing rate increases for high-iron streams as a combined effect of higher waste loadings and higher melt rates resulting from new formulations have been achieved.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Superactive cellulase formulation using cellobiohydrolase-1 from Penicillium funiculosum

Purified cellobiohydrolase I (glycosyl hydrolase family 7 (Cel7A)) enzymes from Penicillium funiculosum demonstrate a high level of specific performance in comparison to other Cel7 family member enzymes when formulated with purified EIcd endoglucanase from A. cellulolyticus and tested on pretreated corn stover. This result is true of the purified native enzyme, as well as recombinantly expressed enzyme, for example, that enzyme expressed in a non-native Aspergillus host. In a specific example, the specific performance of the formulation using purified recombinant Cel7A from Penicillium funiculosum expressed in A. awamori is increased by more than 200% when compared to a formulation using purified Cel7A from Trichoderma reesei.

60 APPLIED LIFE SCIENCES↗

Formulation and method for preparing gels comprising hydrous cerium oxide

Formulations useful for preparing hydrous cerium oxide gels contain a metal salt including cerium, an organic base, and a complexing agent. Methods for preparing gels containing hydrous cerium oxide include heating a formulation to a temperature sufficient to induce gel formation, where the formulation contains a metal salt including cerium, an organic base, and a complexing agent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Formulation and method for preparing gels comprising hydrous hafnium oxide

Formulations useful for preparing hydrous hafnium oxide gels contain a metal salt including hafnium, an acid, an organic base, and a complexing agent. Methods for preparing gels containing hydrous hafnium oxide include heating a formulation to a temperature sufficient to induce gel formation, where the formulation contains a metal salt including hafnium, an acid, an organic base, and a complexing agent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Formulation and method for preparing gels comprising hydrous aluminum oxide

Formulations useful for preparing hydrous aluminum oxide gels contain a metal salt including aluminum, an organic base, and a complexing agent. Methods for preparing gels containing hydrous aluminum oxide include heating a formulation to a temperature sufficient to induce gel formation, where the formulation contains a metal salt including aluminum, an organic base, and a complexing agent.

36 MATERIALS SCIENCE↗

Influence of Ink Formulation and Drying Conditions on Ionomer Distribution in High-Performance Roll-to-Roll-Coated Gas-Diffusion Electrodes

To enable mass production of fuel cell membrane electrode assemblies (MEAs) catalyst layers production will require continuous roll-to-roll (R2R) coating processes. Gas diffusion electrodes (GDEs) are advantageous for mass production because the catalyst layer can be directely coated on the microporous layer of the gas diffusion media without the need for a decal-transfer process. It is known that the water-to-alcohol ratio in the catalyst ink influences the interactions of the ionomer with the catalyst leading to different distributions of ionomer in spray-coated catalyst layers. It is also known that during drying of colloidal mixtures, like fuel cell inks, factors such as drying rate, particle size, and agglomeration influence how the materials distribute themselves throughout the thickness of the dired film. Thus far there have only been limited studies to understand how process conditions such as ink formulation and drying temperature influence the distribution of ionomer and catalyst coated using scalable methods. This understanding is especially important for GDEs since it is known that having a sufficient amount of ionomer at the catalyst layer-membrane interface is critical for high performance. In this study we have focused on determining how the ratio of water to 1-propanol in the catalyst ink ink and drying temperature influence the distribution of ionomer throughout the thickness of the catalyst layer. Using a combination of Kelvin probe and x-ray photoelectron spectroscopy we show that an ionomer-rich surface is promoted by a higher drying rate and a water-rich catalyst ink. In contrast, a 1-propanol catalyst ink leads to a lower concentration of ionomer on the top surface. Using x-ray computed tomography, we are able to characterize the ionomer distribution throughout the thickness of the layer. We find that, in addition to promoting an ionomer-rich top surface, water-rich inks lead to a more homogenous distribution of ionomer, whereas a 1-propanol-rich ink leads to a more irregular distribution. It is found that MEA performance is improved by selecting conditions and ink formulations that promote ionomer enrichment at the top surface to facilitate a good interface with the membrane. MEAs prepared with a 75 wt% water catalyst ink with a 0.9 I/C have equivalent performance to spray-coated GDEs. Critically, these R2R-coated GDEs do not need an additional ionomer overlayer like the spray-coated GDEs do, reducing the number of processing steps in a manufacturing setting. This work shows that with the appropriate selection of materials, ink formulation, and processing conditions gas-diffusion electrodes are a viable pathway for fuel cell manufacturing.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗

Advances in Glass Formulations for Hanford High-Aluminum, High-Iron and Enhanced Sulphate Management in HLW Streams - 13000

The current estimates and glass formulation efforts have been conservative in terms of achievable waste loadings. These formulations have been specified to ensure that the glasses are homogenous, contain essentially no crystalline phases, are processable in joule-heated, ceramic-lined melters and meet Hanford Tank Waste Treatment and Immobilization Plant (WTP) Contract terms. The WTP's overall mission will require the immobilization of tank waste compositions that are dominated by mixtures of aluminum (Al), chromium (Cr), bismuth (Bi), iron (Fe), phosphorous (P), zirconium (Zr), and sulphur (S) compounds as waste-limiting components. Glass compositions for these waste mixtures have been developed based upon previous experience and current glass property models. Recently, DOE has initiated a testing program to develop and characterize HLW glasses with higher waste loadings and higher throughput efficiencies. Results of this work have demonstrated the feasibility of increases in waste loading from about 25 wt% to 33-50 wt% (based on oxide loading) in the glass depending on the waste stream. In view of the importance of aluminum limited waste streams at Hanford (and also Savannah River), the ability to achieve high waste loadings without adversely impacting melt rates has the potential for enormous cost savings from reductions in canister count and the potential for schedule acceleration. Consequently, the potential return on the investment made in the development of these enhancements is extremely favorable. Glass composition development for one of the latest Hanford HLW projected compositions with sulphate concentrations high enough to limit waste loading have been successfully tested and show tolerance for previously unreported tolerance for sulphate. Though a significant increase in waste loading for high-iron wastes has been achieved, the magnitude of the increase is not as substantial as those achieved for high-aluminum, high-chromium, high-bismuth or sulphur. Waste processing rate increases for high-iron streams as a combined effect of higher waste loadings and higher melt rates resulting from new formulations have been achieved. (author)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Implementation of a generalized coherent elastic scattering formulation for thermal neutron scattering analysis - 14487

The scattering interactions of thermal neutrons in matter are classified into inelastic and elastic components. In crystalline materials, coherent elastic scattering represents a dominant form of interaction. Traditionally, the treatment of this interaction in standard computer codes (e.g., the LEAPR module of the NJOY code system) was performed within the cubic approximation and restricted the analyst to a few materials that were hardwired into the code. In general, these restrictions can hinder the production of ENDF style thermal neutron scattering libraries for new materials outside the current portfolio of treated materials. In this work, a general formulation based on the exact theory of coherent elastic scattering was developed. This formulation is capable of processing the crystalline structure of any material. The cubic approximation is relaxed by accounting for the partial forces from asymmetric crystal structures in the calculation. The atom sites approximation is relaxed by utilizing a site-wise Debye-Waller factor. Specifically, the Debye-Waller factor is no longer regarded as a uniform constant across the crystal but treated as a matrix tensor that uses the integral of the partial phonon density of states. Therefore, the calculation of the coherent elastic scattering cross section is executed by applying the matrix-form of the Debye-Waller factor on each reciprocal space point and summing them up. Furthermore, the developed algorithm supports compounds with any number of elements and of any ratio to each other. This general formulation was successfully implemented and contributed to the production of ENDF style thermal neutron scattering libraries for silicon dioxide (α-SiO{sub 2}) and silicon carbide (3C-SiC). The needed input for the analysis was generated using density functional theory (DFT) atomistic simulations and dynamical matrix calculations for both materials. (authors)

42 ENGINEERING↗