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At least 91 records · Page 5

Fast variance reduction for steady-state simulation and sensitivity analysis of stochastic chemical systems using shadow function estimators

We address the problem of estimating steady-state quantities associated to systems of stochastic chemical kinetics. In most cases of interest, these systems are analytically intractable, and one has to resort to computational methods to estimate stationary values of cost functions. In this work, we introduce a novel variance reduction algorithm for stochastic chemical kinetics, inspired by related methods in queueing theory, in particular the use of shadow functions. Using two numerical examples, we demonstrate the efficiency of the method for the calculation of steady-state parametric sensitivities and evaluate its performance in comparison to other estimation methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Analytic Benchmark for Neutron Boltzmann Transport with Downscattering—Part I: Flux and Eigenvalue Solutions

Computing in the energy dimension is one of the greatest challenges confronting present-day deterministic neutron transport solvers. Accurately resolving the neutron flux as neutrons downscatter across resonances in the nuclear cross sections currently requires considerable computing power and suffers from approximation errors. Flux uncertainty resulting from the uncertainty of the resonance structure is the single-largest cause of reactivity uncertainty. Any additional reference solution for the critical neutron downscattering problem with resonance phenomena would be a boon to verification and validation of neutronics codes. This paper establishes a benchmark to verify the accuracy of neutron transport criticality solvers along the energy dimension. For the first time, the analytic solution of the flux amplitude is derived in the particular case of an infinite homogeneous medium with isotropic scattering in the center of mass and an arbitrary number of no-threshold, neutral particle reaction resonances (e.g., radiative capture, fission, and resonance scattering). Furthermore, original analytic expressions are established to quantify the discrepancy between the ψ k (E) and ψ α (E) flux amplitudes, respective solutions of the multiplication factor k, or the exponential time-evolution frequency α eigenproblems. The physical study of these relations led to analysis of their first-order relative difference near the criticality condition α=0. Finally, numerical solutions are provided to a benchmark problem constituted of the first resonance of 239 Pu, the 6.67-eV resonance of 238 U, and a scattering isotope with a flat cross section, allowing for the computational verification of the energy resolution of current neutron transport criticality codes. Through these novel results, this analytic benchmark can serve as a reference to verify the energy resolution and sensitivity analysis of neutron transport criticality calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Design sensitivity derivatives for isoparametric elements by analytical and semi-analytical approaches

This paper presents an analytical approach for incorporating design sensitivity calculations directly into the finite element analysis. The formulation depends on the implicit differentiation approach and requires few additional calculations to obtain the design sensitivity derivatives. In order to evaluate this approach, it is compared with the semi-analytical approach which is based on commonly used finite difference formulations. Both approaches are implemented to calculate the design sensitivities for continuum and structural isoparametric elements. To demonstrate the accuracy and robustness of the developed analytical approach compared to the semi-analytical approach, some test cases using different structural and continuum element types are presented.

Zumwalt, Kenneth W.↗

Physical and chemical characterization techniques for metallic powders

Systematic studies have been carried out on two different powder materials used for additive manufacturing: stainless steel and cobalt-chrome. An extensive array of characterization techniques were applied to these two powders. The physical techniques included laser-diffraction particle-size analysis, X-ray computed tomography for size and shape analysis, and optical and scanning electron microscopy. Techniques sensitive to chemistry included X-ray diffraction and energy-dispersive analytical X-ray analysis. The background of these techniques will be summarized and some typical findings comparing different samples of virgin additive manufacturing powders, taken from the same lot, will be given. The techniques were used to confirm that different samples of powder from the same lot were essentially identical, within the uncertainty of the measurements.

36 MATERIALS SCIENCE↗

Data Covariances from R-Matrix Analyses of Light Nuclei

After first reviewing the parametric description of light-element reactions in multichannel systems using R-matrix theory and features of the general LANL R-matrix analysis code EDA, we describe how its chi-square minimization procedure gives parameter covariances. This information is used, together with analytically calculated sensitivity derivatives, to obtain cross section covariances for all reactions included in the analysis by first-order error propagation. Examples are given of the covariances obtained for systems with few resonances ({sup 5}He) and with many resonances ({sup 13}C ). We discuss the prevalent problem of this method leading to cross section uncertainty estimates that are unreasonably small for large data sets. The answer to this problem appears to be using parameter confidence intervals in place of standard errors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Aerodynamic sensitivity analysis methods for the compressible Euler equations

This study presents a mathematical formulation developed for aerodynamic sensitivity coefficients based on a discretized form of the compressible 2D Euler equations. A brief motivating introduction to the aerodynamic sensitivity analysis and the reasons behind an integrated flow/sensitivity analysis for design algorithms are presented. The finite difference approach and the quasi-analytical approach are used to determine the aerodynamic sensitivity coefficients. A new flow prediction concept, which is an outcome of the direct method in the quasi-analytical approach, is developed and illustrated with an example. Surface pressure coefficient distributions of a nozzle-afterbody configuration obtained from the predicted flowfield solution are compared successfully with their corresponding values obtained from a flowfield analysis code and the experimental data.

Baysal, Oktay↗

Sensitivity analysis of radiative transfer for atmospheric remote sensing in thermal IR: atmospheric weighting functions and surface partials

In this presentation, we apply the adjoint sensitivity analysis of radiative transfer in thermal IR to the general case of the analytic evaluation of the weighting functions of atmospheric parameters together with the partial derivatives for the surface parameters. Applications to remote sensing of atmospheres of Mars and Venus are discussed.

sensitivity analysis remote sensing↗

Real-Time Screening for Uranium Enrichment by Paper Spray Ionization Mass Spectrometry for Field Applications

A rapid isotope ratio screening technique for uranium enrichment is demonstrated by utilizing paper spray ionization (PSI) high-resolution mass spectrometry (HRMS). Measurements were conducted using an ambient ionization mass spectrometer coupled to a custom-made JEOL PSI attachment apparatus, with de minimus sample preparation requirements. The current method detection limit for individual isotopes (e.g., 235 U and 238 U) is approximately 50 pg, with subsequent optimization expected to further improve U isotopic sensitivity. The PSI analytical method described herein can support rapid analysis (both in-field and in-lab screening) of isotopes-of-interest, as demonstrated by empirical differentiation of depleted uranium (DU) and low enriched uranium (LEU) analytical aliquots. Furthermore, this analytical workflow holds promise for applications in nuclear forensics, international nuclear safeguards, and nonproliferation missions.

Anions↗

Engineering Prediction of Axial Wellbore Shear Failure Caused by Reservoir Uplift and Subsidence

Injection and production can cause significant regional uplift or settlement. We analytically evaluate the potential for cement-annulus failure in response to injection-induced deformation in a coupled casing/cement/rock poromechanical vertical-well system. Deformation is calculated with respect to the initial near-wellbore stress state, occurring immediately after cement curing. Tensile-failure and shear-failure lengths along this well are predicted using a stress-development-length method. The analytical model is verified by Abaqus modeling. Lastly, a sensitivity analysis identifies critical engineering-well-design parameters for ensuring wellbore-annulus integrity.

58 GEOSCIENCES↗

Transformational challenge reactor analysis to inform preconceptual core design decisions: Sensitivity study of transient analysis in a hydride-moderated microreactor

The Transformational Challenge Reactor (TCR) program aims to demonstrate a revolutionary design approach enabled by advanced manufacturing and data analytics in the design of nuclear reactors. This article discusses scoping analyses of preconceptual designs to inform TCR design decisions and the evaluation of sensitivities and uncertainties on postulated transient scenarios. The applicability of the systems codes TRACE and RELAP5-3D to TCR transient analysis are examined, and RELAP5-3D models are used to examine the transient response of two candidate core designs at multiple power levels. Then, the uncertainty quantification code RAVEN is used to quantify the effect of several design parameters on reactivity-initiated accident (RIA) progression at hot zero power (HZP) and hot full power (HFP) as well as to assess the impact of uncertainties in transient parameters for the pressurized loss of forced cooling (PLOFC).When results were compared, TRACE and RELAP5-3D showed good agreement in their ability to predict system behavior, but RELAP5-3D calculations were closer to analytical predictions for the RIA. Furthermore, models for a PLOFC accident in two designs (a UO2 and TRISO core) at multiple power levels showed greater temperature margins for the TRISO core at all power levels. Using this information, along with other scoping analyses and constraints, the TCR design team selected a power level of 3 MWth and a TRISO-based core design. For this design RAVEN was applied to vary RIA parameters in RELAP5-3D models at HZP and HFP to understand the effect on figures of merit such as peak power, fuel and coolant temperature, and energy deposition. This sensitivity study found that the inserted reactivity worth was the most important parameter controlling all figures of merit, but for insertion up to 1.5$ no failure of TCR fuel is anticipated. For constant reactivity insertions, the magnitude of the fuel temperature coefficient was found to have the greatest effect on all figures of merit under most circumstances. These results not only demonstrate the anticipated robust safety of the proposed TCR fuel form but also provide a reference for future metal-hydride moderated systems to understand RIA behavior. In the PLOFC, the impact of heat transfer enhancement due to wavy flow channel effects dominated the variance in peak temperatures, and variations in heat exchanger elevation provided the greatest control on natural circulation flow rate. Additionally, no fuel particle failure is anticipated in the PLOFC.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Stability sensitivity analysis for the aeroelastic optimization of a helicopter rotor

A sensitivity study of blade stability in forward flight for a hingeless rotor with respect to structural design variables is carried out using a direct analytical method. Structural design variables include nonstructural mass distribution (spanwise and chordwise), chordwise offset of center of gravity, and blade bending stiffnesses (flap, lag and torsion). The formulation for blade steady response is based on a finite element method in space and time. The vehicle trim and blade steady response are calculated iteratively as one coupled solution using a modified Newton method. Eigenvalues corresponding to different blade modes are calculated using Floquet transition matrix theory. The formulation for derivatives of the eigenvalues with respect to design variables is implemented using a direct analytical approach (chain rule differentiation), and constitutes an integral part of the regular stability analysis. The stability sensitivity derivatives were obtained at a fraction of computation time compared to the frequently adopted finite difference method. A parametric study showed that nonstructural mass and chordwise cg offset of outboarad elements, and lag bending stiffness of inboard elements, have powerful influence on blade stability.

Lim, Joon W.↗

Optimization of Turbine Engine Cycle Analysis with Analytic Derivatives

A new engine cycle analysis tool, called Pycycle, was recently built using the OpenMDAO framework. This tool uses equilibrium chemistry based thermodynamics, and provides analytic derivatives. This allows for stable and efficient use of gradient-based optimization and sensitivity analysis methods on engine cycle models, without requiring the use of finite difference derivative approximation methods. To demonstrate this, a gradient-based design optimization was performed on a multi-point turbofan engine model. Results demonstrate very favorable performance compared to an optimization of an identical model using finite-difference approximated derivatives.

Turbine engine↗

Analytical/Operational Requirements for the In Situ Chemical Analysis of Cometary and Planetary Environments Using GC-IMS

Exobiology flight experiments require highly sensitive instrumentation for the in situ analysis of the volatile chemical species that occur in the atmospheres and surfaces of various bodies within the solar system. The complex mixtures encountered place a heavy burden on the analytical instrumentation to detect and identify all species present. The minimal resources available onboard for such missions mandate that the instruments provide maximum analytical capabilities with minimal requirements of volume, weight and consumables. The miniCIDEX instrument was developed for the chemical analysis of a cemetery environment. It combined a Gas Chromatograph (GC) with a helium based Ion Mobility Spectrometer (IMS) to fulfill the analytical requirements of a cemetery exobiology mission: universal response; ppb sensitivity; low mass, volume and consumable MiniCIDEX is now a candidate for the chemical analysis instrument of a Titan Aero-rover Mission. The complexity of the analyses will be similar to the comet application with a heavier emphasis on organic molecules. Because the Titan Aero-Rover will be a balloon powered rover, much more attention is placed on the total mass of the instrument package. The GC will likely be a Micro-Electro-Mechanical-System (MEMS) design, smaller than the initial miniCIDEX GC by a factor of ten (with a similar reduction in consumable use). Similar miniaturization of the helium-based IMS will be necessary while maintaining the analytical capabilities. The two mission applications, the analytical requirements, and the evolution of the IMS design to accommodate these requirements will be presented.

Kojiro, Daniel R.↗

Direct correlation of test-analysis cross-orthogonality

This paper presents an alternative to the correlation of individual components of a mode shape vectors by directly examining the sensitivity of the cross-orthogonality between test and analytical mode shapes. If the test and analysis mode shapes are identical, the diagonal elements of the cross-orthogonality will be identical to the test orthogonality matrix, so the cross-orthogonality matrix provides a concise measure of the 'closeness' between test and analysis mode shapes. There are two major advantages to the cross-orthogonality correlation approach. The first is that a direct correlation of this matrix will more directly meet the goal of the correlation effort (measured by cross-orthogonality). Secondly, and more importantly, the correlation of cross-orthogonality greatly reduces the amount of data that needs to be handled when compared to the correlation of mode shapes.

Blelloch, P. A.↗

Evaluation of Minimum Detectable Activities for Stack Sample Analyses

The Rad-NESHAP program takes samples at major point sources to track how much of select nuclides are being emitted out of the stack. Samples are taken at the site where the radiological operations are being performed. The samples are then sent to analytical laboratories for analysis to determine what nuclides exist in the sample. However, due to the sensitivity of the instruments, false positives are often reported. To reduce the number of false positives, the results reported from the analytical labs are compared to set detection limits. Anything below the set detection limit is considered part of the background while anything above the limit is considered a positive hit. Therefore, the detection limit must be set low enough that any false negatives do not result in a significant dose missed at the end of the year but high enough that there are not enough false positives to skew the annual dose being reported. All detection limits listed in this section for the analyses below were designed to meet the stated equivalent emissions rate and subsequent off-site doses. These minimum detectable activities (MDAs) were developed in the 1990s and documented in the memo cited for each analysis below. These limits and memos are all currently referenced in the Quality Assurance Project Plan (QAPP) for the Rad-NESHAP Compliance Task, which is being updated to a Project Implementation Plan (PIP) concurrently with this document. As part of this update process, the original MDAs defined in this section needed to be verified that they were still conservative and meet the off-site dose levels stated.

2019 MDA↗

Parameter Uncertainty for Repository Thermal Analysis

This report is one follow-on to a study of reference geologic disposal design concepts (Hardin et al. 2011a). Based on an analysis of maximum temperatures, that study concluded that certain disposal concepts would require extended decay storage prior to emplacement, or the use of small waste packages, or both. The study used nominal values for thermal properties of host geologic media and engineered materials, demonstrating the need for uncertainty analysis to support the conclusions. This report is a first step that identifies the input parameters of the maximum temperature calculation, surveys published data on measured values, uses an analytical approach to determine which parameters are most important, and performs an example sensitivity analysis. Using results from this first step, temperature calculations planned for FY12 can focus on only the important parameters, and can use the uncertainty ranges reported here. The survey of published information on thermal properties of geologic media and engineered materials, is intended to be sufficient for use in generic calculations to evaluate the feasibility of reference disposal concepts. A full compendium of literature data is beyond the scope of this report. The term “uncertainty” is used here to represent both measurement uncertainty and spatial variability, or variability across host geologic units. For the most important parameters (e.g., buffer thermal conductivity) the extent of literature data surveyed samples these different forms of uncertainty and variability. Finally, this report is intended to be one chapter or section of a larger FY12 deliverable summarizing all the work on design concepts and thermal load management for geologic disposal (M3FT-12SN0804032, due 15Aug2012).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Comprehensive review of combustion ion chromatography for the analysis of total, adsorbable, and extractable organic fluorine

Poly‐ and perfluoroalkyl substances (PFAS) are a class of persistent organic pollutants whose high stability and appreciable water solubility have led to near‐global contamination. PFAS are bioaccumulative toxins that have been linked to a myriad of disorders and have been detected nearly universally in human blood. Liquid chromatography‐tandem mass spectrometry is the most frequent method used for quantitation, though this typically only measures a few dozen of the >14 000 known PFAS and has been shown to account for a small portion of the total organic fluorine present. Sum parameter methods such as total, extractable, and adsorbable organic fluorine have emerged as alternative measurements for PFAS determination. Combustion ion chromatography has become the preferred method for organofluorine measurement where the sorbent or extract containing PFAS is combusted and the emitted hydrofluoric acid (HF) is a measure of the cumulative organofluorine present. Herein we critically review the types of organofluorine measurement, their separation from the sample matrix, and key parameters of the analytical instrument that affect sensitivity, reproducibility, and recovery with regards to PFAS analysis.

Chemistry↗

(U) Analytic First and Second Derivatives of the Uncollided Leakage for a Homogeneous Sphere

The second-order adjoint sensitivity analysis methodology (2nd-ASAM), developed by Cacuci, has been applied by Cacuci to derive second derivatives of a response with respect to input parameters for uncollided particles in an inhomogeneous transport problem. In this memo, we present an analytic benchmark for verifying the derivatives of the 2nd-ASAM. The problem is a homogeneous sphere, and the response is the uncollided total leakage. This memo does not repeat the formulas given in Ref. 2. We are preparing a journal article that will include the derivation of Ref. 2 and the benchmark of this memo.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗