SEARCH · Engineering Papers

Results for “ADJOINT FLUX”

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.

108 records · Page 6

All sources NASA NTRS DOE OSTI

DOE OSTI2016

Uncertainty Quantification for Large-Scale Ice Sheet Modeling

This report summarizes our work to develop advanced forward and inverse solvers and uncertainty quantification capabilities for a nonlinear 3D full Stokes continental-scale ice sheet flow model. The components include: (1) forward solver: a new state-of-the-art parallel adaptive scalable high-order-accurate mass-conservative Newton-based 3D nonlinear full Stokes ice sheet flow simulator; (2) inverse solver: a new adjoint-based inexact Newton method for solution of deterministic inverse problems governed by the above 3D nonlinear full Stokes ice flow model; and (3) uncertainty quantification: a novel Hessian-based Bayesian method for quantifying uncertainties in the inverse ice sheet flow solution and propagating them forward into predictions of quantities of interest such as ice mass flux to the ocean.

58 GEOSCIENCES↗

NASA NTRS2003

Stratospheric Water Vapor and the Asian Monsoon: An Adjoint Model Investigation

A new adjoint model of the Goddard Parameterized Chemistry and Transport Model is used to investigate the role that the Asian monsoon plays in transporting water to the stratosphere. The adjoint model provides a unique perspective compared to non-diffusive and non-mixing Lagrangian trajectory analysis. The quantity of water vapor transported from the monsoon and the pathways into the stratosphere are examined. The emphasis is on the amount of water originating from the monsoon that contributes to the tropical tape recorder signal. The cross-tropopause flux of water from the monsoon to the midlatitude lower stratosphere will also be discussed.

Olsen, Mark A.↗

DOE OSTI2021

Gradient-Informed Design Optimization of Select Nuclear Systems

In this work, we present a gradient-informed design optimization of nuclear reactor core components based on neutronics objectives with both continuous and discrete materials. The main argument in favor of using gradient-informed design optimization is that it scales well with increasing dimensionality of the design space. First, a challenge problem with 121 free parameters is solved with a gradient-informed method and then with a genetic algorithm. Then, a challenge problem to optimize the flux profile of a simplified assembly with eight axial zones is solved. Both challenge problems are solved using directly calculated derivatives from Tools for Sensitivity and Uncertainty Analysis Methodology Implementation (TSUNAMI) in the SCALE package. Furthermore, we demonstrate how a discrete optimization problem—selection of materials for 121 voxels—can be lifted into a continuous problem with mixed materials. In the continuous space, adjoint-based gradients are well-defined, and gradient descent is applicable. Then, a forcing function is introduced that with the selection of an appropriately sized hyperparameter can be used to guide the optimized continuous solution back into a discrete solution. This paper presents an account of the challenges that were faced when applying a gradient-informed optimization algorithm using a Monte Carlo calculation to estimate the gradient information and compares a gradient descent optimization method to a genetic algorithm optimization of the same geometry. Overall, this work demonstrates the potential use of adjoint-based gradient calculations in design optimization of nuclear systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2017

Sensitivity Coefficients for Diffusion Coefficients and Other Reactor Physics Parameters using CE TSUNAMI-3D

The TSUNAMI (Tools for Sensitivity and Uncertainty Analysis Methodology Implementation) capabilities within the SCALE code system leverage sensitivity coefficients for many criticality safety applications, including quantifying the data-induced uncertainty in the eigenvalue of critical systems, quantifying computational biases, and selecting applicable benchmark experiments. TSUNAMI sensitivity and uncertainty analysis tools have traditionally been limited to criticality safety application spaces, but the introduction of Generalized Perturbation Theory (GPT) sensitivity methods by Jessee in 2009 and Perfetti in 2013 has extended the scope of SCALE adjoint-weighted sensitivity and uncertainty analysis to include reactor physics applications. The continuous-energy (CE) TSUNAMI-3D GPT sensitivity analysis methods were originally developed to calculate sensitivity coefficients for a limited number of reaction-rate responses using CE Monte Carlo methods. These tools were recently applied in an Oak Ridge National Laboratory (ORNL)-directed research and development project to improve the efficiency of {sup 252}Cf production in the High Flux Isotope Reactor (HFIR) by understanding the sensitivity of key heavy actinide capture-to- fission ratios to potential system design changes. This work further extends the applicability of the CE TSUNAMI- 3D GPT methods to reactor physics applications by enabling the calculation of sensitivity coefficients for an expanded set of reaction rate responses-including a first-ever capability for conducting sensitivity analysis of neutron diffusion coefficients.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2017

(U) Second-Order Sensitivity Analysis of Uncollided Particle Contributions to Radiation Detector Responses Using Ray-Tracing

The Second-Level Adjoint Sensitivity System (2nd-LASS) that yields the second-order sensitivities of a response of uncollided particles with respect to isotope densities, cross sections, and source emission rates is derived in Refs. 1 and 2. In Ref. 2, we solved problems for the uncollided leakage from a homogeneous sphere and a multiregion cylinder using the PARTISN multigroup discrete-ordinates code. In this memo, we derive solutions of the 2nd-LASS for the particular case when the response is a flux or partial current density computed at a single point on the boundary, and the inner products are computed using ray-tracing. Both the PARTISN approach and the ray-tracing approach are implemented in a computer code, SENSPG. The next section of this report presents the equations of the 1st- and 2nd-LASS for uncollided particles and the first- and second-order sensitivities that use the solutions of the 1st- and 2nd-LASS. Section III presents solutions of the 1st- and 2nd-LASS equations for the case of ray-tracing from a detector point. Section IV presents specific solutions of the 2nd-LASS and derives the ray-trace form of the inner products needed for second-order sensitivities. Numerical results for the total leakage from a homogeneous sphere are presented in Sec. V and for the leakage from one side of a two-region slab in Sec. VI. Section VII is a summary and conclusions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

A unified hp-HDG framework for Friedrichs' PDE systems

Here, this work proposes a unified hp-adaptivity framework for hybridized discontinuous Galerkin (HDG) method for a large class of partial differential equations (PDEs) of Friedrichs' type. In particular, we present unified hp-HDG formulations for abstract one-field and two-field structures and prove their well-posedness. In order to handle non-conforming interfaces we simply take advantage of HDG built-in mortar structures. With split-type mortars and the approximation space of trace, a numerical flux can be derived via Godunov approach and be naturally employed without any additional treatment. As a consequence, the proposed formulations are parameter-free. We perform several numerical experiments for time-independent and linear PDEs including elliptic, hyperbolic, and mixed-type to verify the proposed unified hp-formulations and demonstrate the effectiveness of hp-adaptation. Two adaptivity criteria are considered: one is based on a simple and fast error indicator, while the other is rigorous but more expensive using an adjoint-based error estimate. The numerical results show that these two approaches are comparable in terms of convergence rate even for problems with strong gradients, discontinuities, and singularities.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1993

Drag reduction at a plane wall

The objective is to determine by analytical means how drag on a plane wall may be modified favorably using a minimal amount of flow information - preferably only information at the wall. What quantities should be measured? How should that information be assimilated in order to arrive at effective control? As a prototypical problem, incompressible, viscous flow, governed by the Navier-Stokes equations, past a plane wall at which the no-slip condition was modified was considered. The streamwise and spanwise velocity components are required to be zero, but the normal component is to be specified according to some control law. The challenge is to choose the wall-normal velocity component based on flow conditions at the wall so that the mean drag is as small as possible. There can be no net mass flux through the wall, and the total available control energy is constrained. A turbulent flow is highly unsteady and has detailed spatial structure. The mean drag on the wall is the integral over the wall of the local shear forces exerted by the fluid, which is then averaged in time; it is a 'macroscopic' property of the flow. It is not obvious how unsteady boundary control is to be applied in order to modify the mean flow most effectively, especially in view of the non- self-adjoint nature of the governing equations. An approximate analytical solution to the suboptimal scheme is pursued.

Hill, D. C.↗

DOE OSTI2017

Adjoint-based constant-mass partial derivatives

In transport theory, adjoint-based partial derivatives with respect to mass density are constant-volume derivatives. Likewise, adjoint-based partial derivatives with respect to surface locations (i.e., internal interface locations and the outer system boundary) are constant-density derivatives. This study derives the constant-mass partial derivative of a response with respect to an internal interface location or the outer system boundary and the constant-mass partial derivative of a response with respect to the mass density of a region. Numerical results are given for a multiregion two-dimensional (r-z) cylinder for three very different responses: the uncollided gamma-ray flux at an external detector point, k eff of the system, and the total neutron leakage. Finally, results from the derived formulas compare extremely well with direct perturbation calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2016

An Inviscid Decoupled Method for the Roe FDS Scheme in the Reacting Gas Path of FUN3D

An approach is described to decouple the species continuity equations from the mixture continuity, momentum, and total energy equations for the Roe flux difference splitting scheme. This decoupling simplifies the implicit system, so that the flow solver can be made significantly more efficient, with very little penalty on overall scheme robustness. Most importantly, the computational cost of the point implicit relaxation is shown to scale linearly with the number of species for the decoupled system, whereas the fully coupled approach scales quadratically. Also, the decoupled method significantly reduces the cost in wall time and memory in comparison to the fully coupled approach. This work lays the foundation for development of an efficient adjoint solution procedure for high speed reacting flow.

Thompson, Kyle B.↗

NASA NTRS2013

Analyzing Carbon Dioxide and Methane Emissions in California Using Airborne Measurements and Model Simulations

Greenhouse gas (GHG) concentrations have increased over the past decades and are linked to global temperature increases and climate change. These changes in climate have been suggested to have varying effects, and uncertain consequences, on agriculture, water supply, weather, sea-level rise, the economy, and energy. To counteract the trend of increasing atmospheric concentrations of GHGs, the state of California has passed the California Global Warming Act of 2006 (AB-32). This requires that by the year 2020, GHG (e.g., carbon dioxide (CO2) and methane (CH4)) emissions will be reduced to 1990 levels. To quantify GHG fluxes, emission inventories are routinely compiled for the State of California (e.g., CH4 emissions from the California Greenhouse Gas Emissions Measurement (CALGEM) Project). The major sources of CO2 and CH4 in the state of California are: transportation, electricity production, oil and gas extraction, cement plants, agriculture, landfills/waste, livestock, and wetlands. However, uncertainties remain in these emission inventories because many factors contributing to these processes are poorly quantified. To alleviate these uncertainties, a synergistic approach of applying air-borne measurements and chemical transport modeling (CTM) efforts to provide a method of quantifying local and regional GHG emissions will be performed during this study. Additionally, in order to further understand the temporal and spatial distributions of GHG fluxes in California and the impact these species have on regional climate, CTM simulations of daily variations and seasonality of total column CO2 and CH4 will be analyzed. To assess the magnitude and spatial variation of GHG emissions and to identify local “hot spots”, airborne measurements of CH4 and CO2 were made by the Alpha Jet Atmospheric eXperiment (AJAX) over the San Francisco Bay Area (SFBA) and San Joaquin Valley (SJV) in January and February 2013 during the Discover-AQ-CA study. High mixing ratios of GHGs were observed in-flight with a high degree of spatial variability. To provide an additional method to quantify GHG emissions, and analyze AJAX measurement data, the GEOS-Chem CTM is used to simulate SFBA/SJV GHG measurements. A nested-grid version of GEOS-Chem will be applied and utilizes varying emission inventories and model parameterizations to simulate GHG fluxes/emissions. The model considers CO2 fluxes from fossil fuel use, biomass/biofuel burning, terrestrial and oceanic biosphere exchanges, shipping and aviation, and production from the oxidation of carbon monoxide, CH4, and non-methane volatile organic carbons. The major sources of CH4 simulated in GEOS-Chem are domesticated animals, rice fields, natural gas leakage, natural gas venting/flaring (oil production), coal mining, wetlands, and biomass burning. Preliminary results from the comparison between available observations (e.g., AJAX and CALGEM CH4 emission maps) and GEOS-Chem results will be presented, along with a discussion of CO2 and CH4 source apportionment and the use of the GEOS-Chem-adjoint to perform inverse GHG modeling.

Johnson, Matthew S.↗

DOE OSTI2024

Radiation Dose Modeling for Niowave’s Accelerator Driven Uranium Target Assembly 3

Molybdenum-99 is a high-value radionuclide commonly used for medical purposes within the United States. The National Nuclear Security Administration (NNSA) seeks to reliably produce the radioisotope 99 Mo without the use of highly enriched uranium. NNSA’s Office of Material Management and Minimization (M3) provides funding and government laboratory expertise to private companies to expedite the production process domestically and currently funds designs that use low-enriched uranium or other 99 Mo production pathways. Several production designs are being explored across the industry, including uranium fission and photonuclear conversion of 100 Mo targets. Niowave Inc. seeks to produce 99 Mo via a high-energy electron accelerator that strikes a lead-bismuth eutectic target that ultimately produces a consistent neutron flux. The neutron flux then interacts in a subcritical reactor core configuration to produce fission in low-enriched or natural uranium targets. These fissionable targets are then processed to extract 99 Mo. The purpose of this work is to estimate the neutron and photon dose response across Niowave’s proposed facility for worker safety during operation. Owing to the size of the proposed Niowave facility and necessary shielding, unbiased Monte Carlo radiation transport is impractical, and variance reduction methods are required. This work focuses on the weight window variance reduction method to produce high confidence dose response results within a Monte Carlo radiation transport code. Specifically, an adjoint-informed weight window methodology was created to improve the dose response estimates for accelerator-driven subcritical reactor designs. This adjoint-informed methodology was implemented for Niowave’s proposed design and improved dose results at far-field locations across the facility. Acceptable dose rate contours for the proposed facility were generated across the facility and are presented in this work.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2016

A Case Study in the Application of TSUNAMI-3D - Part 1, Multigroup

The use of the sensitivity and uncertainty tool suite within SCALE, known as the TSUNAMI suite, has grown following its initial introduction more than a decade ago. Proper use of these tools provides a more complete understanding of system responses to perturbations, especially in the area of nuclear cross section uncertainties. Recent advances within TSUNAMI have added generalized perturbation theory to the k{sub eff} sensitivity capability that was included in TSUNAMI originally. The generation of sensitivity data is encouraged in the review process for new critical experiment requests sponsored by the US Department of Energy (DOE) Nuclear Criticality Safety Program (NCSP) to demonstrate that the proposed experiment will satisfy the identified data need. Many individuals participate in this process, but many analysts have not received proper training in the use of the TSUNAMI tools. The adjoint perturbation theory used to calculate sensitivities is not typically included in nuclear engineering curricula, leaving inexperienced engineers particularly at risk for incorrect use of the tools. The first step in the use of the TSUNAMI tools is the generation of a sensitivity data file (SDF), which contains all of the energy-dependent sensitivity data generated for a model. Most often, the SDF is generated from a three-dimensional (3D) model using either the KENO V.a or KENO-VI code within the TSUNAMI-3D sequence. The sensitivity data generated in TSUNAMI-3D must be accurate for correct quantification of system similarity or any other use of the sensitivity data. The sensitivities calculated by TSUNAMI can be affected by many of the input parameters, cross section processing models, and geometry modeling techniques used within the TSUNAMI-3D input. Fortunately, the total sensitivity of the most important nuclides can be confirmed simply by using direct perturbation (DP) calculations. Confirmation of the total sensitivity of these important nuclides provides confidence that the flux and importance function calculated within the TSUNAMI sequence will yield accurate sensitivities for all nuclides, reactions, and energies of interest. This process is essentially identical for the multigroup (MG) methods and the continuous-energy (CE) methods introduced in SCALE 6.2. This paper discusses the use of DP calculations and provides a case study to confirm that accurate sensitivities are generated by TSUNAMI-3D for a particular benchmark experiment. A companion paper provides a similar case study applying the CE TSUNAMI capability to the same critical experiment. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2016

A Case Study in the Application of TSUNAMI-3D - Part 2, Continuous Energy

The use of the sensitivity and uncertainty tool suite within SCALE, which is known as the TSUNAMI suite, has grown following its initial introduction more than a decade ago. Proper use of this tool provides a more complete understanding of system responses to perturbations, especially in the area of nuclear cross section uncertainties. Recent advances within TSUNAMI have added generalized perturbation theory to the k{sub eff} sensitivity capability that was included in TSUNAMI originally. The sensitivities can also be used to quantify the similarity of two systems. As an example, calculated sensitivities can be combined with cross section uncertainties to determine the similarity index ck. The generation of sensitivity data is encouraged in the review process for new critical experiment requests sponsored by the US Department of Energy (DOE) Nuclear Criticality Safety Program (NCSP) to demonstrate that the proposed experiment will satisfy the identified data need. Many analysts participate in this process, but many have not received proper training in the use of the TSUNAMI tools. The adjoint perturbation theory used to calculate sensitivities is not typically included in nuclear engineering curricula, leaving inexperienced engineers particularly at risk for incorrect use of the tools. The first step in the use of the TSUNAMI tools is the generation of a sensitivity data file (SDF), which contains all of the energy-dependent sensitivity data generated for a model. Most often, the SDF is generated from a three-dimensional (3D) model using either the KENO V.a or KENO-VI code within the TSUNAMI-3D sequence. The sensitivity data generated in TSUNAMI-3D must be accurate for correct quantification of system similarity or any other use of the sensitivity data. The sensitivities calculated by TSUNAMI can be affected by many of the input parameters, cross section processing models, and geometry modeling techniques used within the TSUNAMI-3D input. Fortunately, the total sensitivity of the most important nuclides can be confirmed simply by using direct perturbation (DP) calculations. Confirmation of the total sensitivity of these important nuclides provides confidence that the flux and importance function calculated within the TSUNAMI sequence will yield accurate sensitivities for all nuclides, reactions, and energies of interest. This process is essentially identical for multigroup (MG) and continuous-energy (CE) methods introduced in SCALE 6.2. This paper discusses the use of direct perturbation calculations and provides a case study in the use of DP calculations to confirm accurate sensitivities generated by the CE CLUTCH methods in TSUNAMI-3D for a particular benchmark experiment. A companion paper provides a similar case study applying the MG TSUNAMI capability to the same critical experiment. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

Verification of the DIF3D Software to Support Fast Reactor Analysis

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system. The driver for this effort requires the 3D Cartesian, triangular-Z, and hexagonal-Z core geometry options of DIF3D be verified. Previous work identified the DIF3D features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying DIF3D’s ability to correctly translate the user’s model in to DIF3D’s preferred format, verifying that options planned for use have the desired effect, and verifying the correctness of the eigenvalue, fixed-source, forward, and adjoint solvers in DIF3D-FD and DIF3D-VARIANT. This manuscript provides the verification tasks and their results with respect to the features needed for current design activities. Since analytic solutions of the neutron diffusion and transport equations are either limited in scope or not possible, multiple tiers of problems unique to each solver and geometry type were implemented. Each of these tiers tests features independent and complementary arguments for why the separate testing of functionalities is acceptable. Finally, this separate testing was also supplemented with a high-level integral check of each the diffusion and transport capabilities and applicable geometries. To accommodate cases which an analytic solution is not feasible, MCNP6.2 was relied upon to provide a higher-order reference solution. This therefore required that the capabilities within MCNP6.2 which were relied upon for this work are also verified in this work. No MCNP discrepancies were noted in this effort. Note that the MCNP6.2 verification included in this work does not stand as a full verification of MCNP6.2, but merely verifies the features used in verifying DIF3D. The verification effort identified no issues that are debilitating or otherwise impactful to design usage of DIF3D, and thus DIF3D version 11.0, release 3012 is considered verified. The types of issues that were identified were predominantly in the areas of: unclear documentation, software bugs which were inconsequential to final results, editing options which were ignored in favor of printing more information than requested, bugs in the outputs of intermediate results, or secondary output binary file information which was not present. While not a bug, this verification report also identified that the algorithm used to evaluate the peak fast flux in a nodal transport solution can be quite unreliable due to the polynomial order used and the location of the peak within the mesh. The authors of the report therefore recommend the usage of the EvaluateFlux software (distributed with ARC) as a more robust alternative.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

Impact of Radial Reflector Fidelity on Neutronics and Vessel Fluence Simulations

The Consortium for Advanced Simulation of Light Water Reactors is developing the Virtual Environment for Reactor Applications (VERA), and the MPACT code, which is the primary deterministic neutron transport solver in VERA, provides sub-pin level flux and power distributions as part of full-scale cycle depletion and analysis. In such calculations, an important aspect is the radial reflector treatment. To improve the fidelity of the radial reflector treatment, MPACT was extended to approximate the modeling of the reactor’s structural components such as the core shroud, barrel, neutron pads, and vessel. This work explores several modeling configurations with varying levels of fidelity and computational burden and assesses the importance of modeling fidelity on the eigenvalue and pin power distribution. Two two-dimensional (2-D) problems were analyzed to assess the impact on eigenvalue and pin power distributions with low-fidelity, coarse square cell reflector representations: (1) a Watts Bar Nuclear Plant Unit 1 (WBN1) quarter-core slice with depletion and (2) an AP1000 quarter-core slice. In this work, the analyses showed that the effect on eigenvalue is fairly small, but the effect on pin power is more pronounced, especially locally in the assemblies closest to the periphery, where the maximum pin power difference is nearly 3.5% in the AP1000 case. Two additional 2-D problems were used to assess the comparison between the low-fidelity coarse square cell treatment and a high-fidelity geometric representation that uses subpin material specification: (1) the same WBN1 quarter-core slice and (2) a representative model of the NuScale small modular reactor (SMR), which features a solid reflector design with moderator holes. These results demonstrate that even a coarse, low-fidelity representation adequately captures the necessary simulation characteristics. Last, these capabilities were applied to the 2-D WBN1 quarter-core depletion to assess the impact on vessel fluence using VeraShift. From adjoint calculations, pins along the periphery were observed to be of highest importance for fluence calculation, so the impact of the reflector representation in MPACT could theoretically substantially affect the predicted result. However, it was observed that the change in pin powers along the periphery minimally impacts the maximum vessel fluence with a difference within the statistical uncertainty but provides terrific insight on the sensitivity of the peripheral pins.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Verification of the DIF3D Software to Support Fast Reactor Analysis

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system. The driver for this effort requires the 3D Cartesian, triangular-Z, and hexagonal-Z core geometry options of DIF3D be verified. Previous work identified the DIF3D features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying DIF3D’s ability to correctly translate the user’s model in to DIF3D’s preferred format, verifying that options planned for use have the desired effect, and verifying the correctness of the eigenvalue, fixed-source, forward, and adjoint solvers in DIF3D-FD and DIF3D-VARIANT. This manuscript provides the verification tasks and their results with respect to the features needed for current design activities. Since analytic solutions of the neutron diffusion and transport equations are either limited in scope or not possible, multiple tiers of problems unique to each solver and geometry type were implemented. Each of these tiers tests features independent and complementary arguments for why the separate testing of functionalities is acceptable. Finally, this separate testing was also supplemented with a high-level integral check of each the diffusion and transport capabilities and applicable geometries. To accommodate cases which an analytic solution is not feasible, MCNP6.2 was relied upon to provide a higher-order reference solution. This therefore required that the capabilities within MCNP6.2 which were relied upon for this work are also verified in this work. No MCNP discrepancies were noted in this effort. Note that the MCNP6.2 verification included in this work does not stand as a full verification of MCNP6.2, but merely verifies the features used in verifying DIF3D. The verification effort identified no issues that are debilitating or otherwise impactful to design usage of DIF3D, and thus DIF3D version 11.0, release 3012 is considered verified. As some additional changes have been made to the ARC software since this point all versions between release 3012 and 3266 can be considered verified as version 3253 was used for all updates in this revision. The types of issues that were identified were predominantly in the areas of: unclear documentation, software bugs which were inconsequential to final results, editing options which were ignored in favor of printing more information than requested, bugs in the outputs of intermediate results, or secondary output binary file information which was not present. While not a bug, this verification report also identified that the algorithm used to evaluate the peak fast flux in a nodal transport solution can be quite unreliable due to the methodology used and the location of the peak within the mesh. The authors of the report therefore recommend the usage of the EvaluateFlux software (distributed with ARC) as a more robust alternative noting that DIF3D will properly notify the user when the peaking values it is providing are potentially incorrect.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Verification of the DIF3D Software to Support Fast Reactor Analysis (Rev. 3)

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system. The driver for this effort requires the 3D Cartesian, triangular-Z, and hexagonal-Z core geometry options of DIF3D be verified. Previous work identified the DIF3D features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying DIF3D’s ability to correctly translate the user’s model in to DIF3D’s preferred format, verifying that options planned for use have the desired effect, and verifying the correctness of the eigenvalue, fixed-source, forward, and adjoint solvers in DIF3D-FD and DIF3D-VARIANT. This manuscript provides the verification tasks and their results with respect to the features needed for current design activities. Since analytic solutions of the neutron diffusion and transport equations are either limited in scope or not possible, multiple tiers of problems unique to each solver and geometry type were implemented. Each of these tiers tests features independent and complementary arguments for why the separate testing of functionalities is acceptable. Finally, this separate testing was also supplemented with a high-level integral check of each the diffusion and transport capabilities and applicable geometries. To accommodate cases which an analytic solution is not feasible, MCNP6.2 was relied upon to provide a higher-order reference solution. This therefore required that the capabilities within MCNP6.2 which were relied upon for this work are also verified in this work. No MCNP discrepancies were noted in this effort. Note that the MCNP6.2 verification included in this work does not stand as a full verification of MCNP6.2, but merely verifies the features used in verifying DIF3D. The verification effort identified no issues that are debilitating or otherwise impactful to design usage of DIF3D, and thus DIF3D version 11.0, release 3012 is considered verified. As some additional changes have been made to the ARC software since this point all versions between release 3012 and 3266 can be considered verified as version 3253 was used for all updates in this revision. The types of issues that were identified were predominantly in the areas of: unclear documentation, software bugs which were inconsequential to final results, editing options which were ignored in favor of printing more information than requested, bugs in the outputs of intermediate results, or secondary output binary file information which was not present. While not a bug, this verification report also identified that the algorithm used to evaluate the peak fast flux in a nodal transport solution can be quite unreliable due to the methodology used and the location of the peak within the mesh. The authors of the report therefore recommend the usage of the EvaluateFlux software (distributed with ARC) as a more robust alternative noting that DIF3D will properly notify the user when the peaking values it is providing are potentially incorrect.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRSDate not supplied

Understanding and Utilizing PBL Height Data from Multiple Observing Systems in the GEOS System

The accuracy of PBL height simulation is a key issue in many applications including forecasting near surface meteorology and air quality, however, it is a very challenging problem due to the lack of not only comprehensive, global Planetary Boundary Layer (PBL) observations but also a strategy and infrastructure to utilize PBL height data from a variety of sensors. Following the designation of PBL as an incubation class observable in the 2017 Decadal Survey, the PBL Incubation Study Team Report [14] made clear that “a future global PBL observing system requires modeling and data assimilation as essential components.” There is an urgent need for global modeling development in order to utilize Program of Record (POR) observations, assess their impacts, and identify gaps to be filled by future PBL missions. Our overall objective is to develop PBL data assimilation capabilities in the NASA Global Earth Observing System (GEOS), focusing on PBL height from multiple observing systems, to support the assessment and use of future PBL observations. The NASA GEOS system is composed of the GEOS global atmospheric general circulation model (AGCM) and the atmospheric data assimilation system (ADAS). The PBL parameterizations include the “Lock” K-profile scheme driven by surface and cloud-top buoyancy fluxes ([4]), and the “Louis” local scheme for stable conditions based on the Richardson number ([5]). Above the mixed layer defined by the Lock surface plume, shallow cumulus convection is represented by the mass flux scheme of [9]. Additional parameterizations are summarized in [1]. The ADAS employs the hybrid 4D Ensemble- Variational (EnVar) configuration ([15]), with the ensemble providing flow-dependent background error covariance information. The resultant analysis increments are fed back to the forecast model through the 4D incremental analysis update (IAU) approach ([11]). In this study, PBL height data are being or have been generated from radiosondes, GNSS RO, satellite (CATS, CALIPSO and ICESat-2) and ground-based (MPLNET) lidars, and wind profiler. Investigations have been conducted to specify quality marks for PBL height retrievals for the data assimilation purpose. These PBL height data have different strengths and weaknesses ([2], [3], [6], [7], [8], [10]), and the satellite PBL height data provide better global coverage and complement in-situ PBL height data. Radiosondes offer high accuracy and in situ measurement of temperature and humidity profiles, but with poor spatio-temporal sampling. The in-situ observing systems like MPLNET and wind profiler provide long history of PBL height records at each station. The GNSS RO based PBL height is retrieved based on the sharp gradients in refractivity profile that represent the fine vertical structure of temperature and moisture changes above the PBL. However, not all RO refractivity profiles reach the surface depending on location and regime, and RO refractivity retrievals can be negatively biased below 2km. The PBL height data from satellite lidars provide high resolution along track PBL height retrievals, but over land they are affected by previous day convective PBL aerosol and strongly associated with mixing layer and retrievals cannot be made below thick, attenuating clouds. A successful assimilation of PBL height data requires a thorough understanding of the observing method and the retrieval algorithm for each observing system in order to use the PBL height data from multiple observing systems properly. Due to the sensitivity of PBL height data to the observing method and choice of algorithm, it is important to use a model definition appropriate for each observation type to compute differences between PBL height data and model PBL height (OmFs). The GEOS model currently includes two PBL height definitions suitable for direct comparison with observed PBL height, and additional definitions are being added in this study. Evaluation of different model PBL height definitions is underway. Meanwhile, efforts have been made in the GEOS data assimilation system to develop PBL height data assimilation capability. PBL height data can be assimilated using two different approaches. The traditional approach is to construct an observation operator and its tangent linear and adjoint, which link control variables to PBL height data from each observing system. This observation operator can be very complicated, e.g., the lidar-based PBL height observation operator includes the backscatter lidar forward observation operator, the algorithm to derive PBL height from attenuated total backscatter, interpolation, and calculations handling the mismatch between observed and model scales. The other approach is to augment PBL height to the control variable vector, and it is adopted in this study. The latter approach was also used in previous studies, e.g., the assimilation of PBL height data from radiosonde and aircraft in the Real Time Mesoscale Analysis (RTMA) system for a dispersion modelling study ([13]); the PBL height assimilation study using lidar PBL height data at Greensburg, Kansas for a field campaign ([12]). The PBL height assimilation from multiple observing systems in this study allows us to take advantage of the diverse PBL height data that provide much better global coverage collectively under different meteorological conditions and with different temporal and spatial scales. As all the PBL heights are tightly coupled with the PBL thermodynamic variables, the strong correlations, which are provided by the 4D ensemble forecast, enable PBL height data from various sources to interact and combine coherently and provide additional information for PBL temperature and moisture fields. The results of comparisons among PBL height data from different sources and the evaluation of the model PBL height definitions with the PBL height data will be presented, and the PBL height data synergy strategies and preliminary results will also be discussed at the conference.

Y. Zhu↗