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NASA NTRS2020

Attribution of Chemistry-Climate Model Initiative (CCMI) Ozone Radiative Flux Bias from Satellites

The top-of-atmosphere (TOA) outgoing longwave flux over the 9.6-μm ozone band is a fundamental quantity for understanding chemistry-climate coupling. However, observed TOA fluxes are hard to estimate as they exhibit considerable variability in space and time that depend on the distributions of clouds, ozone (O3), water vapor (H2O), air temperature (Ta), and surface temperature (Ts). Benchmarking present day fluxes and quantifying the relative influence of their drivers is the first step for estimating climate feedbacks from ozone radiative forcing and predicting radiative forcing evolution. To that end, we constructed observational instantaneous radiative kernels (IRKs) under clear-sky conditions, representing the sensitivities of the TOA flux in the 9.6-μm ozone band to the vertical distribution of geophysical variables, including O3, H2O, Ta, and Ts based upon the Aura Tropospheric Emission Spectrometer (TES) measurements. Applying these kernels to present-day simulations from the Chemistry-Climate Model Initiative (CCMI) project as compared to a 2006 reanalysis assimilating satellite observations, we show that the models have large differences in TOA flux, attributable to different geophysical variables. In particular, model simulations continue to diverge from observations in the tropics, as reported in previous studies of the Atmospheric Chemistry Climate Model Inter-comparison Project (ACCMIP) simulations. The principal culprits are tropical mid and upper tropospheric ozone followed by tropical lower tropospheric H2O. Five models out of the eight studied here have TOA flux biases exceeding 100 mWm-2 attributable to tropospheric ozone bias. Another set of five models have flux biases over 50 mWm-2 due to H2O. On the other hand, Ta radiative bias is negligible in all models (no more than 30 mWm-2). We found that AM3 and CMAM have the lowest TOA flux biases globally but are a result of cancellation of opposite biases due to difference processes. Overall, the multi-model ensemble mean bias is –133±98 mWm-2, indicating that they are too atmospherically opaque due to trapping too much radiation in the atmosphere by overestimated tropical tropospheric O3 and H2O. Having too much O3 and H2O in the troposphere would have different impacts on the sensitivity of TOA flux to O3 and these competing effects add more uncertainties on the ozone radiative forcing. We find that the inter-model TOA outgoing longwave radiation (OLR) difference is well anti-correlated with their ozone band flux bias. This suggests that there is significant radiative compensation in the calculation of model outgoing longwave radiation.

Aura Tropospheric Emission Spectrometer (TES) meas↗

NASA NTRSDate not supplied

Sustaining NASA-Invented Thermal Protection System Materials for Future Missions

TPS is needed for NASA and many emerging commercial space missions and is dependent on an industrial base for future availability. Supply chains are dynamic and global. Change to constituent availability, after the fact, can impact missions. In addition to external vendor capability, NASA needs to maintain the in-house expertise and use SMEs to engage industry to assess the risk of atrophy on a constant basis and propose risk mitigation options to the Leadership as needed.

Matt Gasch↗

NASA NTRSDate not supplied

Validation of Universal Cryogenic Flow Boiling Correlations in Thermal Desktop for Liquid Methane and Liquid Nitrogen

Future in-space cryogenic architectures will depend on the ability to accurately model various stages of cryogenic propellant transfer and storage. Currently there is a need for more accurate, direct cryogenic data-anchored models for various boiling phenomena. This paper presents the implementation and validation of recently developed universal cryogenic flow boiling correlations for saturated flow boiling heat transfer coefficients (HTC) and critical heat flux (CHF) into the Thermal Desktop (SINDA/FLUINT) modeling software. The correlations are validated against steady state cryogenic flow boiling historical heated tube cases from liquid nitrogen and liquid methane experiments covering a wide range of inlet conditions, mass flux, and heat flux. Overall, Thermal Desktop with the new universal cryogenic flow boiling correlations demonstrates significant improvement in predictive performance for both wall temperature and CHF location compared to the Thermal Desktop model with built-in correlations when both are compared to the data.

Mariano Mercado↗

DOE OSTI2016

Net-Zero Energy Home Grows Up: Lessons and Puzzles from 10 Years of Data; Preprint

In 2005, Habitat for Humanity of Metro Denver, with support from NREL and other partners, built one of the first homes in the US to achieve net-zero energy based on monitored data. A family of three moved into the house when it was completed and lives there still. The home has been monitored continuously for the past ten years. Although PV production has remained steady, net energy performance has varied each year. The home was a net producer of energy annually in each of the first three years and in the ninth year, but not in years four through eight. Over the years, the PV system provided between 124% and 64% of the home source energy use. Electricity use in the home increased steadily during the first eight years, even though no significant new appliance was introduced into the house, such as a window air conditioner. Miscellaneous electric loads and space heating, both strongly dependent on occupant behavior, appear to be primarily responsible for the observed increase in energy use. An interesting aspect of this case study is how, even within a single family, natural changes in occupant lifestyles over time (e.g., kids growing up, schedules changing) can substantially impact the overall energy intensity of a home. Data from the last ten years will be explored for lessons learned that can improve the way we design low-load homes without sacrificing comfort or convenience for the occupants, and how we can make realistic predictions of long-term energy performance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

A Net-Zero Energy Home Grows Up: Lessons and Puzzles from 10 Years of Data

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Acceleration Techniques using ADVANTG for the MDF Design and Optimization

The Spallation Neutron Source (SNS) facility at Oak Ridge National Laboratory (ORNL) is implementing a Moderator Demonstration Facility (MDF) to demonstrate the performance characteristics of advanced moderators central to the Second Target Station (STS) for SNS. The MDF will provide a small, short-pulsed neutron source for slow neutron production in which we intend to easily and quickly change from one moderator concept to another, characterizing the performance of each moderator in a reproducible and consistent fashion. The MDF will be unique and innovative amongst the world's moderator test facilities in that it will be intended to be very prototypic in terms of 'moderator illumination' - the spatial variation of the neutron flux entering the moderator itself - as well as capable of testing so-called high-brightness moderators in a wing configuration. During the design phase of the MDF, the Monte Carlo N-Particle transport code MCNPX v.2.7.0 is being used as the primary tool for the neutronic analysis of the facility and characterization of the moderator performance. The Automated Variance Reduction Generator (ADVANTG) code is being utilized to accelerate the MCNPX calculations. The ADVANTG code generates space- and energy-dependent weight window parameters for a successive MCNP run by calculating the adjoint flux with the Denovo discrete ordinates code based on the user defined MCNP tally. We have tested various strategies using ADVANTG to generate weight window parameters to efficiently calculate detailed moderator performance. Using point detector response functions for weight window parameter optimization with ADVANTG did not work well for improving the efficiency of Monte Carlo calculations of neutron emission into beam lines. However, using cell fluxes of the area of highest contributions to the point detector for the variance reduction parameter analysis worked very well and improved the FOM of the calculation of neutron emission into a beamline by a factor of 50 over the unbiased case. (authors)

42 ENGINEERING↗

DOE OSTI2016

Assessment of Multi-Step CADIS Parameter Sensitivity to Neutron Flux Spectrum in Shutdown Dose Rate Calculations

Shutdown dose rate (SDDR) analysis requires (a) a neutron transport calculation to estimate neutron flux fields, (b) an activation calculation to compute radionuclide inventories and associated photon sources, and (c) a photon transport calculation to estimate final dose rate. In some applications, accurate full-scale Monte Carlo (MC) SDDR simulations are needed for very large systems with massive amounts of shielding materials. For example, SDDR assessments are required throughout the biological shield (bio-shield) of the ITER experimental facility to evaluate the required waiting period after the shutdown of ITER and to identify the locations where human accessibility should be prohibited. The bio-shield is a large cylindrical concrete structure (30 m tall and 34 m in diameter) surrounding the very complex tokamak machine. Determining the effects on SDDR of important factors, such as the cross talk (interactions) between the different ports of ITER, is possible only through full-scale simulations that involve all the complex inner details of the ITER tokamak machine. These simulations are impractical because calculation of space- and energy-dependent neutron fluxes throughout the structural materials is needed to estimate the distribution of radioisotopes causing the SDDR. Determining a good importance function that can be used in biasing a neutron MC calculation for SDDR is complicated because it is difficult to explicitly express the SDDR response function, which depends on subsequent computational steps. The Multi-Step Consistent Adjoint Driven Importance Sampling (MS-CADIS) hybrid MC/deterministic method was developed to speed up the SDDR MC neutron transport calculation using an importance function that represents the neutron importance to the final SDDR. The MS-CADIS method uses the CADIS method, which has been Notice: This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC0500OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for the United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). successfully used for more than a decade in radiation shielding applications to generate consistent source biasing and weight window (WW) variance reduction parameters to accelerate continuous-energy MC simulations. However, because MS-CADIS focuses on multi-step shielding calculations such as SDDR calculations, it develops an importance function for the initial radiation transport calculation (e.g., the neutron calculations in SDDR simulations) that represents the importance of particles to the final response of the overall simulation. To develop this importance function, the MS-CADIS method uses an adjoint calculation with a specific neutron adjoint source that represents the neutron's contribution to the final SDDR. Brute force calculation of the MS-CADIS neutron adjoint source requires a deterministic neutron transport calculation coupled with activation calculations in each element of the deterministic mesh. These calculations are needed to determine the MS-CADIS parameter for the neutron interactions that produce radioisotopes contributing to the SDDR. The MS-CADIS parameter is the microscopic cross section of the radioisotope-producing interaction, multiplied by the mass of this radioisotope existing at the end of the irradiation and decay scenario, and divided by the steady-state rate of the interaction. Because the activation calculations are performed for each radionuclide in each mesh element, implementation of the MS-CADIS method can be computationally expensive. However, these neutron transport and activation calculations are not needed if we assume that the radioisotopes are created due to single neutron interactions and their concentrations do not change as a result of burnup by neutron irradiation. The use of this approximation, which renders the MS-CADIS parameter independent of the neutron flux, seems reasonable in calculating the MS-CADIS importance function because this function is needed only to speed up the MC calculation, not to calculate the final SDDR. In this work, we investigate the validity of this approximation by investigating the behavior of the MS-CADIS parameter as a function of the neutron flux spectra in the Fusion Evaluated Nuclear Data Library (FENDL) Neutronics and Shielding Benchmark problem that contains representative isotopes and flux environments of fusion energy systems. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2014

ADVANTG Results for a Proposed NDA System for Detecting Pin Diversion from SNF - Paper 120

This summary describes the results of applying the ADVANTG variance reduction parameter generator to accelerate continuous-energy Monte Carlo simulations of the {sup 252}Cf Interrogation with Prompt Neutron (CIPN) detection system proposed by Hu et al. for detecting the diversion of fuel elements from spent nuclear fuel (SNF) assemblies. In previous work, ADVANTG was applied to a suite of nine radiation detection, special nuclear material (SNM) movement detection, and safeguards test cases. That effort demonstrated that ADVANTG was able to provide large increases in tally figures of merit (FOMs) in nearly all of the cases without introducing bias into the Monte Carlo results. The objective of the work described here is to further evaluate ADVANTG, and also to identify gaps in capability with regard to nuclear safeguards applications, by applying the code to a challenging problem that is of a different nature from the ones previously studied. The CIPN nondestructive assay (NDA) system consists of three fission chambers embedded in a C-shaped block of polyethylene and a polyethylene-moderated {sup 252}Cf source that are placed on opposite sides of a subject SNF assembly. The idea of the detection system is to measure the difference between the background neutron count rate, due to spontaneous fission in the fuel material, and the count rate observed once the source is introduced, which is dominated by multiplication within the assembly. Based on the difference between these count rates, the fissile content of the assembly can be inferred, and this information can be used to determine if some fraction of the original fuel pins have been replaced with depleted uranium substitutes. The authors report that the system can detect the replacement of at least eight pins (3% of total mass). The ADVANTG code generates space- and energy-dependent weight-window bounds and biased source distributions based on approximate transport solutions that are efficiently generated by the Denovo 3-D discrete ordinates package. ADVANTG implements the Consistent Adjoint Driven Importance Sampling (CADIS) method for accelerating individual tallies and the Forward-Weighted CADIS (FW-CADIS) method for obtaining relatively uniform uncertainties across tallies over multiple regions and/or energy bins. The variance reduction parameters are generated in a format directly usable by standard versions of MCNP5 and MCNPX. In this work, the ADVANTG variance reduction parameter generator was applied to accelerate continuous energy MCNPX simulations of the {sup 252}Cf Interrogation with Prompt Neutron detection system for detecting the diversion of fuel elements from SNF assemblies. Variance reduction parameters generated with the existing version of ADVANTG actually slowed down tally convergence in all cases. The cause of the poor performance was found to be the lack of an induced fission source treatment in the fixed-source discrete ordinates calculations employed by ADVANTG. Because fission was treated as capture and not as a source, the importance maps generated by ADVANTG significantly underestimated the importance of thermal neutrons in and around the fuel elements. In order to obtain improved results, we developed an experimental implementation of a fission source outer iteration for the adjoint calculations. We used this prototype capability to generate new variance reduction parameters and found that the mean fission rates agreed well with those predicted by the conventional MCNPX simulations, as was expected. With these new parameters, speedup factors of 59 to 80 were obtained for the case with the background source, and factors of 17 to 24 were obtained for the cases with the interrogating source. These results demonstrate that a fission source treatment is needed to improve the effectiveness of ADVANTG in problems where the effects of induced fission are important. This includes many types of NDA problems that are relevant to safeguards applications. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2016

Arbitrary Dimension Convection-Diffusion Schemes for Space-Time Discretizations

This note proposes embedding a time dependent PDE into a convection-diffusion type PDE (in one space dimension higher) with singularity, for which two discretization schemes, the classical streamline-diffusion and the EAFE (edge average finite element) one, are investigated in terms of stability and error analysis. The EAFE scheme, in particular, is extended to be arbitrary order which is of interest on its own. Numerical results, in combined space-time domain demonstrate the feasibility of the proposed approach.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2009

The Ares Projects: Building America's Future in Space

NASA's Constellation Program is depending on the Ares Projects to deliver the crew and cargo launch capabilities needed to send human explorers to the Moon and beyond. In 2009, the Ares Projects plan to conduct the first test flight of Ares I, Ares I-X; the first firing of a five-segment development solid rocket motor for the Ares I first stage; building the first integrated Ares I upper stage; continue component testing for the J-2X upper stage engine; and perform more-detailed design studies for the Ares V cargo launch vehicle. Ares I and V will provide the core space launch capabilities needed to continue providing crew and cargo access to the International Space Station (ISS), and to build upon the U.S. history of human spaceflight to the Moon and beyond.

Cook, Stephen A.↗

NASA NTRS1989

Addressing the problem of interruptability in the construction of large space structures

Large scale space missions of the near future will depend upon successful multi-launch coordination and construction in the space environment. One of the main challenges is how to accomplish a valid global analysis of a construction project with the intent of improving safety, reducing overall mission cost, and total construction time. These three items are dependent on the interruptability of the project, which is the ability of the project to recover from unplanned interruptions; such as failure of the launch vehicle; sudden, on-orbit, crew illness; or damage from a space debris impact on the partially completed space structure. A new method for addressing and analyzing this type of problem is being developed. The method is called Program Interruptability and Risk Evaluation Technique, or PIRET. PIRET has been developed in order to model and analyze potential interruptability concerns of the construction of the U.S. Space Station Freedom (SSF), although PIRET is applicable to any complex, multi-launch structural assembly. This paper is a progress report on the continuing research of the NASA Center for Space Construction at the University of Colorado, Boulder into this area of space construction interruptability. The paper will define the problem of interruptability, will diagram the PIRET approach to space construction, will share results from a preliminary PIRET analysis of SSF, and will show that PIRET is a useful tool for modelling space construction interruptability.

Davidson, Roger A.↗

NASA NTRS2011

A Stochastic Model of Space Radiation Transport as a Tool in the Development of Time-Dependent Risk Assessment

A new computer model, the GCR Event-based Risk Model code (GERMcode), was developed to describe biophysical events from high-energy protons and heavy ions that have been studied at the NASA Space Radiation Laboratory (NSRL) [1] for the purpose of simulating space radiation biological effects. In the GERMcode, the biophysical description of the passage of heavy ions in tissue and shielding materials is made with a stochastic approach that includes both ion track structure and nuclear interactions. The GERMcode accounts for the major nuclear interaction processes of importance for describing heavy ion beams, including nuclear fragmentation, elastic scattering, and knockout-cascade processes by using the quantum multiple scattering fragmentation (QMSFRG) model [2]. The QMSFRG model has been shown to be in excellent agreement with available experimental data for nuclear fragmentation cross sections

Kim, Myung-Hee Y.↗

DOE OSTI2017

Determination of Dark Matter Halo Mass from Dynamics of Satellite Galaxies

We propose that the mass of a dark matter halo can be inferred from the dynamical status of its satellite galaxies. Using nine dark matter simulations of halos like the Milky Way (MW), we find that the present-day substructures in each halo follow a characteristic distribution in the phase space of orbital binding energy and angular momentum, and that this distribution is similar from halo to halo, but has an intrinsic dependence on the halo formation history. We build this distribution directly from the simulations for a specific halo and extend the result to halos of similar formation history but different masses by scaling. The mass of an observed halo can then be estimated by maximizing the likelihood in comparing the measured kinematic parameters of its satellite galaxies with these distributions. We test the validity and accuracy of this method with mock samples taken from the simulations. Using the positions, radial velocities, and proper motions of nine tracers and assuming observational uncertainties comparable to those of MW satellite galaxies, we find that the halo mass can be recovered to within $\sim 40 \% $. The accuracy can be improved to within ~25% if 30 tracers are used. Yet, the dependence of the phase-space distribution on the halo formation history sets a minimum uncertainty of $\sim 20 \% $ that cannot be reduced by using more tracers. We believe that this minimum uncertainty also applies to any mass determination for a halo when the phase-space information of other kinematic tracers is used.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Electronic spectra from TDDFT and machine learning in chemical space

Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For a training set of 10 000 molecules, CC2 excitation energies can be reproduced to within ±0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1987

Photovoltaic power modules for NASA's manned space station

The capability and the safety of manned spacecraft are largely dependent upon reliable electric power systems. Two similar space power systems able to survive the low Earth orbit environment, are being considered for NASA's Manned Space Station (SS), scheduled to begin operation in the mid 1990's. The Space Station Electric Power System (EPS) is composed of Photovoltaic (PV) Power Modules, Solar Dynamic (SD) Power Modules, and the Power Management and Distribution (PMAD) System. One EPS configuration will deliver 37.5 kW of PV based, utility grade, ac power to SS users. A second 75 kWe PV based EPS option is also being considered for SS deployment. The two EPS options utilize common modules and differ only in the total number of PV Power Modules used. Each PV Power Module supplies 18.75 kWe of ac power and incorporates its own energy storage and thermal control. The general requirements and the current preliminary design configuration of the Space Station PV Power Modules are examined.

Tatro, Charles A.↗

NASA NTRS1988

Photovoltaic power modules for NASA's manned Space Station

The capability and the safety of manned spacecraft are largely dependent upon reliable electric power systems. Two similar space power systems able to survive the low earth orbit environment, are being considered for NASA's Manned Space Station (SS), scheduled to begin operation in the mid 1990's. The Space Station Electric Power System (EPS) is composed of Photovoltaic (PV) Power Modules, Solar Dynamic (SD) Power Modules, and the Power Management and Distribution (PMAD) System. One EPS configuration will deliver 37.5 kW of PV based, utility grade, ac power to SS users. A second 75 kWe PV based EPS option is also being considered for SS deployment. The two EPS options utilize common modules and differ only in the total number of PV Power Modules used. Each PV Power Module supplies 18.75 kWe of ac power and incorporates its own energy storage and thermal control. The general requirements and the current preliminary design configuration of the Space Station PV Power Modules are examined.

Tatro, C. A.↗

DOE OSTI2022

Understanding the fundamental driver of semiconductor radiation tolerance with experiment and theory

Space is the operating environment of a multitude of systems that our society is heavily reliant on today, however, maintaining operability there necessitates special consideration of the electronic systems' tolerance of space radiation. Electronic systems are critically dependent on the electronic properties of their semiconductor components, which are modified by space radiation with an adverse impact on the space system performance. What innate property allows some semiconductors to sustain little damage while others accumulate defects rapidly with dose is poorly understood, which limits the extent to which radiation tolerance can be implemented as a design criterion. Here, to gain insight into what properties are drivers of semiconductor radiation tolerance, the first step is to generate a dataset of the relative radiation tolerance of a broad sampling of semiconductors. To accomplish this, Rutherford backscatter channeling experiments are used to compare the displaced lattice atom buildup in InAs, InP, GaP, GaN, ZnO, MgO, and Si as a function of stepwise alpha particle dose. With this experimental information on radiation-induced incorporation of interstitial defects in hand, hybrid density functional theory electron densities (and their derived quantities) are calculated and their gradient and Laplacian are evaluated to obtain key fundamental information about the interactions in each material. It is shown that simple, undifferentiated values (which are typically used to describe bond strength) are insufficient to predict radiation tolerance. Instead, the curvature of the electron density at bond critical points provides a measure of radiation tolerance consistent with the experimental results obtained. This curvature and associated forces surrounding bond critical points have the potential to disfavor the localization of displaced lattice atoms at these points, favoring their diffusion toward perfect lattice positions. With this criterion to predict radiation tolerance, simple density functional theory simulations can be conducted on potential new materials to gain insight into how they may operate in demanding high radiation environments.

36 MATERIALS SCIENCE↗

NASA NTRS2002

Software Construction and Analysis Tools for Future Space Missions

NASA and its international partners will increasingly depend on software-based systems to implement advanced functions for future space missions, such as Martian rovers that autonomously navigate long distances exploring geographic features formed by surface water early in the planet's history. The software-based functions for these missions will need to be robust and highly reliable, raising significant challenges in the context of recent Mars mission failures attributed to software faults. After reviewing these challenges, this paper describes tools that have been developed at NASA Ames that could contribute to meeting these challenges; 1) Program synthesis tools based on automated inference that generate documentation for manual review and annotations for automated certification. 2) Model-checking tools for concurrent object-oriented software that achieve memorability through synergy with program abstraction and static analysis tools.

Lowry, Michael R.↗