SEARCH · Engineering Papers

Results for “Variable Geometry”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,765 records · Page 98

All sources NASA NTRS DOE OSTI

NASA NTRS2003

Using Plate Finite Elements for Modeling Fillets in Design, Optimization, and Dynamic Analysis

A methodology has been developed that allows the use of plate elements instead of numerically inefficient solid elements for modeling structures with 90 degree fillets. The technique uses plate bridges with pseudo Young's modulus (Eb) and thickness (tb) values placed between the tangent points of the fillets. These parameters are obtained by solving two nonlinear simultaneous equations in terms of the independent variables rlt and twallt. These equations are generated by equating the rotation at the tangent point of a bridge system with that of a fillet, where both rotations are derived using beam theory. Accurate surface fits of the solutions are also presented to provide the user with closed-form equations for the parameters. The methodology was verified on the subcomponent level and with a representative filleted structure, where the technique yielded a plate model exhibiting a level of accuracy better than or equal to a high-fidelity solid model and with a 90-percent reduction in the number of DOFs. The application of this method for parametric design studies, optimization, and dynamic analysis should prove extremely beneficial for the finite element practitioner. Although the method does not attempt to produce accurate stresses in the filleted region, it can also be used to obtain stresses elsewhere in the structure for preliminary analysis. A future avenue of study is to extend the theory developed here to other fillet geometries, including fillet angles other than 90 and multifaceted intersections.

Brown, A. M.↗

NASA NTRS2005

Issues and Methods Concerning the Evaluation of Hypersingular and Near-Hypersingular Integrals in BEM Formulations

It is known that higher order modeling of the sources and the geometry in Boundary Element Modeling (BEM) formulations is essential to highly efficient computational electromagnetics. However, in order to achieve the benefits of hIgher order basis and geometry modeling, the singular and near-singular terms arising in BEM formulations must be integrated accurately. In particular, the accurate integration of near-singular terms, which occur when observation points are near but not on source regions of the scattering object, has been considered one of the remaining limitations on the computational efficiency of integral equation methods. The method of singularity subtraction has been used extensively for the evaluation of singular and near-singular terms. Piecewise integration of the source terms in this manner, while manageable for bases of constant and linear orders, becomes unwieldy and prone to error for bases of higher order. Furthermore, we find that the singularity subtraction method is not conducive to object-oriented programming practices, particularly in the context of multiple operators. To extend the capabilities, accuracy, and maintainability of general-purpose codes, the subtraction method is being replaced in favor of the purely numerical quadrature schemes. These schemes employ singularity cancellation methods in which a change of variables is chosen such that the Jacobian of the transformation cancels the singularity. An example of the sin,oularity cancellation approach is the Duffy method, which has two major drawbacks: 1) In the resulting integrand, it produces an angular variation about the singular point that becomes nearly-singular for observation points close to an edge of the parent element, and 2) it appears not to work well when applied to nearly-singular integrals. Recently, the authors have introduced the transformation u(x(prime))= sinh (exp -1) x(prime)/Square root of ((y prime (exp 2))+ z(exp 2) for integrating functions of the form I = Integral of (lambda(r(prime))((e(exp -jkR))/(4 pi R) d D where A (r (prime)) is a vector or scalar basis function and R = Square root of( (x(prime)(exp2) + (y(prime)(exp2) + z(exp 2)) is the distance between source and observation points. This scheme has all of the advantages of the Duffy method while avoiding the disadvantages listed above. In this presentation we will survey similar approaches for handling singular and near-singular terms for kernels with 1/R(exp 2) type behavior, addressing potential pitfalls and offering techniques to efficiently handle special cases.

Fink, P. W.↗

DOE OSTI2020

Single-ion magnetism in the extended solid-state: insights from X-ray absorption and emission spectroscopy

Large single-ion magnetic anisotropy is observed in lithium nitride doped with iron. The iron sites are two-coordinate, putting iron doped lithium nitride amongst a growing number of two coordinate transition metal single-ion magnets (SIMs). Uniquely, the relaxation times to magnetisation reversal are over two orders of magnitude longer in iron doped lithium nitride than other 3d-metal SIMs, and comparable with high-performance lanthanide-based SIMs. To understand the origin of these enhanced magnetic properties a detailed characterisation of electronic structure is presented. Access to dopant electronic structure calls for atomic specific techniques, hence a combination of detailed single-crystal X-ray absorption and emission spectroscopies are applied. Together K-edge, L 2,3 -edge and Kβ X-ray spectroscopies probe local geometry and electronic structure, identifying iron doped lithium nitride to be a prototype, solid-state SIM, clean of stoichiometric vacancies where Fe lattice sites are geometrically equivalent. Extended X-ray absorption fine structure and angular dependent single-crystal X-ray absorption near edge spectroscopy measurements determine Fe I dopant ions to be linearly coordinated, occupying a D 6h symmetry pocket. The dopant engages in strong 3dπ-bonding, resulting in an exceptionally short Fe–N bond length (1.873(7) Å) and rigorous linearity. It is proposed that this structure protects dopant sites from Renner–Teller vibronic coupling and pseudo Jahn–Teller distortions, enhancing magnetic properties with respect to molecular-based linear complexes. The Fe ligand field is quantified by L 2,3 -edge XAS from which the energy reduction of 3d z 2 due to strong 4s mixing is deduced. Quantification of magnetic anisotropy barriers in low concentration dopant sites is inhibited by many established methods, including far-infrared and neutron scattering. We deduce variable temperature L 3 -edge XAS can be applied to quantify the J = 7/2 magnetic anisotropy barrier, 34.80 meV (~280 cm –1 ), that corresponds with Orbach relaxation via the first excited, M J = ±5/2 doublet. The results demonstrate that dopant sites within solid-state host lattices could offer a viable alternative to rare-earth bulk magnets and high-performance SIMs, where the host matrix can be tailored to impose high symmetry and control lattice induced relaxation effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2013

Error Budget for a Calibration Demonstration System for the Reflected Solar Instrument for the Climate Absolute Radiance and Refractivity Observatory

A goal of the Climate Absolute Radiance and Refractivity Observatory (CLARREO) mission is to observe highaccuracy, long-term climate change trends over decadal time scales. The key to such a goal is to improving the accuracy of SI traceable absolute calibration across infrared and reflected solar wavelengths allowing climate change to be separated from the limit of natural variability. The advances required to reach on-orbit absolute accuracy to allow climate change observations to survive data gaps exist at NIST in the laboratory, but still need demonstration that the advances can move successfully from to NASA and/or instrument vendor capabilities for spaceborne instruments. The current work describes the radiometric calibration error budget for the Solar, Lunar for Absolute Reflectance Imaging Spectroradiometer (SOLARIS) which is the calibration demonstration system (CDS) for the reflected solar portion of CLARREO. The goal of the CDS is to allow the testing and evaluation of calibration approaches, alternate design and/or implementation approaches and components for the CLARREO mission. SOLARIS also provides a test-bed for detector technologies, non-linearity determination and uncertainties, and application of future technology developments and suggested spacecraft instrument design modifications. The resulting SI-traceable error budget for reflectance retrieval using solar irradiance as a reference and methods for laboratory-based, absolute calibration suitable for climatequality data collections is given. Key components in the error budget are geometry differences between the solar and earth views, knowledge of attenuator behavior when viewing the sun, and sensor behavior such as detector linearity and noise behavior. Methods for demonstrating this error budget are also presented.

radiometric calibration↗

NASA NTRS2012

A New and General Formulation of the Parametric HFGMC Micromechanical Method for Three-Dimensional Multi-Phase Composites

The recent two-dimensional (2-D) parametric formulation of the high fidelity generalized method of cells (HFGMC) reported by the authors is generalized for the micromechanical analysis of three-dimensional (3-D) multiphase composites with periodic microstructure. Arbitrary hexahedral subcell geometry is developed to discretize a triply periodic repeating unit-cell (RUC). Linear parametric-geometric mapping is employed to transform the arbitrary hexahedral subcell shapes from the physical space to an auxiliary orthogonal shape, where a complete quadratic displacement expansion is performed. Previously in the 2-D case, additional three equations are needed in the form of average moments of equilibrium as a result of the inclusion of the bilinear terms. However, the present 3-D parametric HFGMC formulation eliminates the need for such additional equations. This is achieved by expressing the coefficients of the full quadratic polynomial expansion of the subcell in terms of the side or face average-displacement vectors. The 2-D parametric and orthogonal HFGMC are special cases of the present 3-D formulation. The continuity of displacements and tractions, as well as the equilibrium equations, are imposed in the average (integral) sense as in the original HFGMC formulation. Each of the six sides (faces) of a subcell has an independent average displacement micro-variable vector which forms an energy-conjugate pair with the transformed average-traction vector. This allows generating symmetric stiffness matrices along with internal resisting vectors for the subcells which enhances the computational efficiency. The established new parametric 3-D HFGMC equations are formulated and solution implementations are addressed. Several applications for triply periodic 3-D composites are presented to demonstrate the general capability and varsity of the present parametric HFGMC method for refined micromechanical analysis by generating the spatial distributions of local stress fields. These applications include triply periodic composites with inclusions in the form of a cavity, spherical inclusion, ellipsoidal inclusion, discontinuous aligned short fiber. A 3-D repeating unit-cell for foam material composite is simulated.

Haj-Ali, Rami↗

NASA NTRS1948

Theoretical symmetric span loading at subsonic speeds for wings having arbitrary plan form

A method is shown by which the symmetric span loading for a certain class of wings can be simply found. The geometry of these wings is limited only to the extent that they must have symmetry about the root chord, must have a straight quarter-chord line over the semispan, and must have no discontinuities in twist. A procedure is shown for finding the lift-curve slope, pitching moment, center of lift, and induced drag from the span load distribution. A method of accounting for the effects of Mach number and for changes in section lift-curve slope is also given. Charts are presented which give directly the characteristics of many wings. Other charts are presented which reduce the problem of finding the symmetric loading on all wings falling within the prescribed limits to the solution of not more than four simultaneous equations. The loadings and wing characteristics predicted by the theory are compared to those given by other theories and by experiment. It is concluded that the results given by the subject theory are satisfactory. The theory is applied to a number of wings to exhibit the effects of such variables as sweep, aspect ratio, taper, and twist. The results are compared and conclusions drawn as to the relative effects of these variables.

Deyoung, John↗

NASA NTRS1993

UV spectral variability in the Herbig Ae star HR 5999. 11: The accretion interpretation

We report recent IUE high- and low-dispersion observations with the IUE long wavelength camera (LWP) and short wavelength camera (SWP) of the Herbig Ae star HR 5999. We have found a dramatic change in the structure of the Mg II h and k lines (2795.5, 2802.7 A) along with some continuum flux excesses especially at the short end of the SWP camera. LWP high dispersion observations of HR 5999 obtained between 1979 and 1990, at times of comparatively low UV continuum fluxes, exhibit P Cygni type m profiles in the Mg II resonance doublet. In contrast, observations made from September 1990 through March 16-18, 1992, with high W continuum fluxes, present Mg II lines with reverse P Cygni profiles indicative of some active episodic accretion. Accreting gas can also be detected in the additional red wings of the various Fe II and Mn II absorption lines, with velocities up to +300-350 km/s (September 1990). By September 10, 1992 the Mg II profile had returned to the type III P Cygni profile similar to those from earlier spectra. The correlation between the presence of large column densities of accreting gas and the continuum light variations supports suggestions by several authors that HR 5999 is surrounded by an optically thick, viscously heated accretion disk. Detection of accreting gas in the line of sight to HR 5999 permits us to place constraints on our viewing geometry for this system. A discussion is included comparing the spectral and physical similarities between HR 5999 and the more evolved proto-planetary candidate system, beta Pictoris.

Perez, M. R.↗

NASA NTRSDate not supplied

Aerodynamic Design Optimization for Natural Laminar Flow Airfoils

Natural laminar flow technology is a passive laminar flow control (LFC) strategy that seeks to delay the onset of boundary-layer transition (BLT) through shape optimization to reduce the drag of the aerodynamic vehicle. Adjoint-based design optimization for LFC is proposed in an integrated multidisciplinary framework, which includes the computational fluid dynamics (CFD), geometry and grid deformation, and linear stability analysis (LSA) for transition prediction. In particular, the BLT location is predicted using the dual N-factor method that is based on a linear stability theory (LST) eigenvalue problem. The dual N-factor criterion accounts for the amplification of planar Tollmien-Schlichting (TS) and stationary crossflow (CF) boundary-layer instabilities to predict the transition location in three-dimensional boundary-layer flows. The adjoint-based shape optimization procedure is based on an iteratively coupled CFD and LSA methodology to converge the transition location and flow solutions, as well as to calculate the sensitivities of the aerodynamic metrics of interest with respect to the flow and shape design parameters. The RAE 2822 airfoil at 0 and 30 degrees yaw angles, an angle of attack of 0.72 degrees, and subsonic conditions (M∞ = 0.19, Rec = 5.6 × 106 ) are used as baseline configurations for design optimization. The angle of attack and the vertical displacement of free-form-deformation control points are used as design variables to reduce the drag coefficient while reaching a specified lift coefficient. The optimized unswept airfoil designs achieve a 30% drag reduction accompanied by a downstream shift of the transition locations over both suction and pressure sides of the airfoil. The initial design iterations for the swept case also show a favorable trend in the drag reduction with transition delay over both sides.

Transition↗

NASA NTRS2011

Turbulence Modeling for Shock Wave/Turbulent Boundary Layer Interactions

Accurate aerodynamic computational predictions are essential for the safety of space vehicles, but these computations are of limited accuracy when large pressure gradients are present in the flow. The goal of the current project is to improve the state of compressible turbulence modeling for high speed flows with shock wave / turbulent boundary layer interactions (SWTBLI). Emphasis will be placed on models that can accurately predict the separated region caused by the SWTBLI. These flows are classified as nonequilibrium boundary layers because of the very large and variable adverse pressure gradients caused by the shock waves. The lag model was designed to model these nonequilibrium flows by incorporating history effects. Standard one- and two-equation models (Spalart Allmaras and SST) and the lag model will be run and compared to a new lag model. This new model, the Reynolds stress tensor lag model (lagRST), will be assessed against multiple wind tunnel tests and correlations. The basis of the lag and lagRST models are to preserve the accuracy of the standard turbulence models in equilibrium turbulence, when the Reynolds stresses are linearly related to the mean strain rates, but create a lag between mean strain rate effects and turbulence when nonequilibrium effects become important, such as in large pressure gradients. The affect this lag has on the results for SWBLI and massively separated flows will be determined. These computations will be done with a modified version of the OVERFLOW code. This code solves the RANS equations on overset grids. It was used for this study for its ability to input very complex geometries into the flow solver, such as the Space Shuttle in the full stack configuration. The model was successfully implemented within two versions of the OVERFLOW code. Results show a substantial improvement over the baseline models for transonic separated flows. The results are mixed for the SWBLI assessed. Separation predictions are not as good as the baseline models, but the over prediction of the peak heat flux downstream of the reattachment shock that plagues many models is reduced.

Lillard, Randolph P.↗

NASA NTRS1994

The NASA Langley 8-foot Transonic Pressure Tunnel calibration

The NASA Langley 8-Foot Transonic Pressure Tunnel is a continuous-flow, variable-pressure wind tunnel with control capability to independently vary Mach number, stagnation pressure, stagnation temperature, and humidity. The top and bottom walls of the test section are axially slotted to permit continuous variation of the test section Mach number from 0.2 to 1.2, the slot-width contour provides a gradient-free test section 50 in. long for Mach numbers equal to or greater than 1.0 and 100 in. long for Mach numbers less than 1.0. The stagnation pressure may be varied from 0.25 to 2.0 atm. The tunnel test section has been recalibrated to determine the relationship between the free-stream Mach number and the test chamber reference Mach number. The hardware was the same as that of an earlier calibration in 1972 but the pressure measurement instrumentation available for the recalibration was about an order of magnitude more precise. The principal result of the recalibration was a slightly different schedule of reentry flap settings for Mach numbers from 0.80 to 1.05 than that determined during the 1972 calibration. Detailed tunnel contraction geometry, test section geometry, and limited test section wall boundary layer data are presented.

Brooks, Cuyler W., Jr.↗

DOE OSTI2018

Process Development and Optimization of a Direct Cast U-6Nb 250 mm Hemispherical Component

Direct Casting is the process of casting a near-net shape part of U-6wt%Nb in a multi-zone VIM furnace for subsequent heat treatment and machining in to a final component. This report describes work to further develop a sound technical basis and best practices for mold design and process parameters for the Direct Casting of U-6Nb components with a hemispherical geometry. Specifically, process parameters and mold design are examined in detail for producing a 250 mm diameter hemisphere component. The goal is to efficiently produce a sound casting with a minimum of microporosity and uniform niobium composition. Prior work had tried unsuccessfully to cast this shape in a large single-coil vacuum induction melting (VIM) furnace. These castings had unacceptable levels microporosity and niobium segregation. In this work, this same part was cast in a multi-zone VIM and a sound casting was obtained. Beyond simply casting a sound part, this work aimed to optimize the hot-top design, metal pouring temperature, and mold pole temperature. Sound castings where produced using both a tapered and step hot-top designs. There were slightly lower porosity levels and about 5% better metal usage with the step hot-top so that design slightly better. With the current mold design, which uses a funnel and filter arrangement, there a large amount of superheat loss in the funnel/filter during mold filling. This temperature loss, and the apparent variability in the filling behavior, lead to casting defects in the pole region of several of the castings. The variability and defects were overcome by moving to a higher mold pole temperature (850°C) and a higher metal pour temperature (1500°C). For future work it is believed that a no-funnel design, with the filter integral to the crucible, will be a better and more robust strategy.

42 ENGINEERING↗

NASA NTRS2013

Weight Assessment for Fuselage Shielding on Aircraft With Open-Rotor Engines and Composite Blade Loss

The Federal Aviation Administration (FAA) has been engaged in discussions with airframe and engine manufacturers concerning regulations that would apply to new technology fuel efficient "openrotor" engines. Existing regulations for the engines and airframe did not envision features of these engines that include eliminating the fan blade containment systems and including two rows of counter-rotating blades. Damage to the airframe from a failed blade could potentially be catastrophic. Therefore the feasibility of using aircraft fuselage shielding was investigated. In order to establish the feasibility of this shielding, a study was conducted to provide an estimate for the fuselage shielding weight required to provide protection from an open-rotor blade loss. This estimate was generated using a two-step procedure. First, a trajectory analysis was performed to determine the blade orientation and velocity at the point of impact with the fuselage. The trajectory analysis also showed that a blade dispersion angle of 3deg bounded the probable dispersion pattern and so was used for the weight estimate. Next, a finite element impact analysis was performed to determine the required shielding thickness to prevent fuselage penetration. The impact analysis was conducted using an FAA-provided composite blade geometry. The fuselage geometry was based on a medium-sized passenger composite airframe. In the analysis, both the blade and fuselage were assumed to be constructed from a T700S/PR520 triaxially-braided composite architecture. Sufficient test data on T700S/PR520 is available to enable reliable analysis, and also demonstrate its good impact resistance properties. This system was also used in modeling the surrogate blade. The estimated additional weight required for fuselage shielding for a wing- mounted counterrotating open-rotor blade is 236 lb per aircraft. This estimate is based on the shielding material serving the dual use of shielding and fuselage structure. If the shielding material is not used for dual purpose, and is only used for shielding, then the additional weight per aircraft is estimated to be 428 lb. This weight estimate is based upon a number of assumptions that would need to be revised when applying this concept to an actual airplane design. For example, the weight savings that will result when there is no fan blade containment system, manufacturing limitations which may increase the weight where variable thicknesses was assumed, engine placement on the wing versus aft fuselage, etc.

aircraft safety↗

NASA NTRS2001

Coarse Grid Modeling of Turbine Film Cooling Flows Using Volumetric Source Terms

The recent trend in numerical modeling of turbine film cooling flows has been toward higher fidelity grids and more complex geometries. This trend has been enabled by the rapid increase in computing power available to researchers. However, the turbine design community requires fast turnaround time in its design computations, rendering these comprehensive simulations ineffective in the design cycle. The present study describes a methodology for implementing a volumetric source term distribution in a coarse grid calculation that can model the small-scale and three-dimensional effects present in turbine film cooling flows. This model could be implemented in turbine design codes or in multistage turbomachinery codes such as APNASA, where the computational grid size may be larger than the film hole size. Detailed computations of a single row of 35 deg round holes on a flat plate have been obtained for blowing ratios of 0.5, 0.8, and 1.0, and density ratios of 1.0 and 2.0 using a multiblock grid system to resolve the flows on both sides of the plate as well as inside the hole itself. These detailed flow fields were spatially averaged to generate a field of volumetric source terms for each conservative flow variable. Solutions were also obtained using three coarse grids having streamwise and spanwise grid spacings of 3d, 1d, and d/3. These coarse grid solutions used the integrated hole exit mass, momentum, energy, and turbulence quantities from the detailed solutions as volumetric source terms. It is shown that a uniform source term addition over a distance from the wall on the order of the hole diameter is able to predict adiabatic film effectiveness better than a near-wall source term model, while strictly enforcing correct values of integrated boundary layer quantities.

Heidmann, James D.↗

DOE OSTI2020

Holographic Space-Time and Quantum Information

The formalism of Holographic Space-time (HST) is a translation of the principles of Lorentzian geometry into the language of quantum information. Intervals along time-like trajectories, and their associated causal diamonds, completely characterize a Lorentzian geometry. The Bekenstein-Hawking-Gibbons-’t Hooft-Jacobson-Fischler-Susskind-Bousso Covariant Entropy Principle, equates the logarithm of the dimension of the Hilbert space associated with a diamond to one quarter of the area of the diamond’s holographic screen, measured in Planck units. The most convincing argument for this principle is Jacobson’s derivation of Einstein’s equations as the hydrodynamic expression of this entropy law. In that context, the null energy condition (NEC) is seen to be the analog of the local law of entropy increase. The quantum version of Einstein’s relativity principle is a set of constraints on the mutual quantum information shared by causal diamonds along different time-like trajectories. The implementation of this constraint for trajectories in relative motion is the greatest unsolved problem in HST. The other key feature of HST is its claim that, for non-negative cosmological constant or causal diamonds much smaller than the asymptotic radius of curvature for negative c.c., the degrees of freedom localized in the bulk of a diamond are constrained states of variables defined on the holographic screen. This principle gives a simple explanation of otherwise puzzling features of BH entropy formulae, and resolves the firewall problem for black holes in Minkowski space. It motivates a covariant version of the CKN [1] bound on the regime of validity of quantum field theory (QFT) and a detailed picture of the way in which QFT emerges as an approximation to the exact theory

tensor network↗

DOE OSTI2020

Koopman-Based Approach to Nonintrusive Reduced Order Modeling: Application to Aerodynamic Shape Optimization and Uncertainty Propagation

A methodology for nonintrusive projection-based nonlinear model reduction originally presented by Renganathan et al. is further extended here toward parametric systems with a focus on application to aerospace design. Specifically, the method is extended to address static systems with parametric geometry (that deforms the mesh) in addition to parametric freestream boundary conditions. The main idea is to first perform a transformation on the governing equations such that it is lifted to a higher-dimensional but linear underdetermined system. This enables one to extract the system matrices easily as compared to that of the original nonlinear system. The underdetermined system is closed with a set of model-dependent nonlinear constraints upon which the model reduction is finally performed. The methodology is validated on the subsonic and transonic inviscid flows past the NACA0012 and the RAE2822 airfoils with parametrized shapes. The utility of the approach is further demonstrated by applying it to two common problems in aerospace design, namely, derivative-free global optimization and parametric uncertainty quantification with Monte Carlo sampling. Overall, the methodology is shown to achieve accuracy up to 5% and computational speedup of two to three orders of magnitude relative to the full order model. Comparison against another nonintrusive model reduction method revealed that the proposed approach is more robust, accurate, and retains the consistency between the state variables.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1997

Efficient Gradient-Based Shape Optimization Methodology Using Inviscid/Viscous CFD

The formerly developed preconditioned-biconjugate-gradient (PBCG) solvers for the analysis and the sensitivity equations had resulted in very large error reductions per iteration; quadratic convergence was achieved whenever the solution entered the domain of attraction to the root. Its memory requirement was also lower as compared to a direct inversion solver. However, this memory requirement was high enough to preclude the realistic, high grid-density design of a practical 3D geometry. This limitation served as the impetus to the first-year activity (March 9, 1995 to March 8, 1996). Therefore, the major activity for this period was the development of the low-memory methodology for the discrete-sensitivity-based shape optimization. This was accomplished by solving all the resulting sets of equations using an alternating-direction-implicit (ADI) approach. The results indicated that shape optimization problems which required large numbers of grid points could be resolved with a gradient-based approach. Therefore, to better utilize the computational resources, it was recommended that a number of coarse grid cases, using the PBCG method, should initially be conducted to better define the optimization problem and the design space, and obtain an improved initial shape. Subsequently, a fine grid shape optimization, which necessitates using the ADI method, should be conducted to accurately obtain the final optimized shape. The other activity during this period was the interaction with the members of the Aerodynamic and Aeroacoustic Methods Branch of Langley Research Center during one stage of their investigation to develop an adjoint-variable sensitivity method using the viscous flow equations. This method had algorithmic similarities to the variational sensitivity methods and the control-theory approach. However, unlike the prior studies, it was considered for the three-dimensional, viscous flow equations. The major accomplishment in the second period of this project (March 9, 1996 to March 8, 1997) was the extension of the shape optimization methodology for the Thin-Layer Navier-Stokes equations. Both the Euler-based and the TLNS-based analyses compared with the analyses obtained using the CFL3D code. The sensitivities, again from both levels of the flow equations, also compared very well with the finite-differenced sensitivities. A fairly large set of shape optimization cases were conducted to study a number of issues previously not well understood. The testbed for these cases was the shaping of an arrow wing in Mach 2.4 flow. All the final shapes, obtained either from a coarse-grid-based or a fine-grid-based optimization, using either a Euler-based or a TLNS-based analysis, were all re-analyzed using a fine-grid, TLNS solution for their function evaluations. This allowed for a more fair comparison of their relative merits. From the aerodynamic performance standpoint, the fine-grid TLNS-based optimization produced the best shape, and the fine-grid Euler-based optimization produced the lowest cruise efficiency.

Baysal, Oktay↗

DOE OSTI2020

Versailles Project on Advanced Materials and Standards interlaboratory study on intensity calibration for x-ray photoelectron spectroscopy instruments using low-density polyethylene

We report the results of a Versailles Project on Advanced Materials and Standards interlaboratory study on the intensity scale calibration of x-ray photoelectron spectrometers using low-density polyethylene (LDPE) as an alternative material to gold, silver, and copper. An improved set of LDPE reference spectra, corrected for different instrument geometries using a quartz-monochromated Al Kα x-ray source, was developed using data provided by participants in this study. Using these new reference spectra, a transmission function was calculated for each dataset that participants provided. When compared to a similar calibration procedure using the NPL reference spectra for gold, the LDPE intensity calibration method achieves an absolute offset of ~3.0% and a systematic deviation of ±6.5% on average across all participants. For spectra recorded at high pass energies (≥90 eV), values of absolute offset and systematic deviation are ~5.8% and ±5.7%, respectively, whereas for spectra collected at lower pass energies (<90 eV), values of absolute offset and systematic deviation are ~4.9% and ±8.8%, respectively; low pass energy spectra perform worse than the global average, in terms of systematic deviations, due to diminished count rates and signal-to-noise ratio. Differences in absolute offset are attributed to the surface roughness of the LDPE induced by sample preparation. We further assess the usability of LDPE as a secondary reference material and comment on its performance in the presence of issues such as variable dark noise, x-ray warm up times, inaccuracy at low count rates, and underlying spectrometer problems. In response to participant feedback and the results of the study, we provide an updated LDPE intensity calibration protocol to address the issues highlighted in the interlaboratory study. Finally, we also comment on the lack of implementation of a consistent and traceable intensity calibration method across the community of x-ray photoelectron spectroscopy (XPS) users and, therefore, propose a route to achieving this with the assistance of instrument manufacturers, metrology laboratories, and experts leading to an international standard for XPS intensity scale calibration.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Accurate Holdup Calculations with Predictive Modeling & Data Integration

In facilities that process special nuclear material (SNM) it is important to account accurately for the fissile material that enters and leaves the plant. Although there are many stages and processes through which materials must be traced and measured, the focus of this project is material that is “held-up” in equipment, pipes, and ducts during normal operation and that can accumulate over time into significant quantities. Accurately estimating the holdup is essential for proper SNM accounting (vis-à-vis nuclear non-proliferation), criticality and radiation safety, waste management, and efficient plant operation. Usually it is not possible to directly measure the holdup quantity and location, so these must be inferred from measured radiation fields, primarily gamma and less frequently neutrons. Current methods to quantify holdup, i.e. Generalized Geometry Holdup (GGH), primarily rely on simple source configurations and crude radiation transport models aided by ad hoc correction factors. This project seeks an alternate method of performing measurement-based holdup calculations using a predictive model that employs state-of-the-art radiation transport codes capable of accurately simulating such situations. Inverse and data assimilation methods use the forward transport model to search for a source configuration that best matches the measured data and simultaneously provide an estimate of the level of confidence in the correctness of such configuration. In this work the holdup problem is re-interpreted as an inverse problem that is under-determined, hence may permit multiple solutions. A probabilistic approach is applied to solving the resulting inverse problem. This approach rates possible solutions according to their plausibility given the measurements and initial information. This is accomplished through the use of Bayes’ Theorem that resolves the issue of multiple solutions by giving an estimate of the probability of observing each possible solution. To use Bayes’ Theorem, one must have a model y(x) that maps the state variables x (the solution in this case) to the measurements y. In this case, the unknown state variables are the configuration and composition of the heldup SNM. The measurements are the detector readings. Thus, the natural model is neutral-particle radiation transport where a wealth of computational tools exists for performing these simulations accurately and efficiently. The combination of predictive model and Bayesian inference forms the Data Integration with Modeled Predictions (DIMP) method that serves as foundation for this project. The cost functional describing the model-to-data misfit is computed via a norm created by the inverse of the covariance matrix of the model parameters and responses. Since the model y(x) for the holdup problem is nonlinear, a nonlinear optimization on Q is conducted via Newton-type iterative methods to find the optimal values of the model parameters x. This project comprised a collaboration between NC State University (NCSU), the University of South Carolina (USC), and Oak Ridge National Laboratory (ORNL). The project was originally proposed in seven main tasks with an eighth contingency task to be performed if time and funding permitted; in fact time did not permit commencement of the contingency task and it was not performed. The remaining tasks involved holdup analysis with gamma detection strategies and separately with neutrons based on coincidence counting. Early in the project, and upon consultation with experts in coincidence counting it became evident that this approach is not viable for holdup applications and this task was replaced with an alternative, but valuable investigation that was carried out by the USC partner. Nevertheless, the experimental 4 measurements at ORNL of both gamma and neutron sources for the purpose of constructing Detector Response Functions (DRFs) with the associated uncertainties were indeed completed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗