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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.

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NASA NTRS2012

Investigations Using Laboratory Testbeds to Interpret Flight Instrument Datasets from Mars Robotic Missions

The Astromaterials Research and Exploration Science Directorate at the NASA Johnson Space Center (JSC) has laboratory instrumentation that mimic the capabilities of corresponding flight instruments to enable interpretation of datasets returned from Mars robotic missions. The lab instruments have been and continue to be applied to datasets for the Moessbauer Spectrometer (MB) on the Mars Exploration Rovers (MER), the Thermal & Evolved Gas Analyzer (TEGA) on the Mars Phoenix Scout, the CRISM instrument on the Mars Reconnaissance Orbiter Missions and will be applied to datasets for the Sample Analysis at Mars (SAM), Chemistry and Mineralogy (CheMin) and Chemistry & Camera (ChemCam) instruments onboard the Mars Science Laboratory (MSL). The laboratory instruments can analyze analog samples at costs that are substantially lower than engineering models of flight instruments, but their success to enable interpretation of flight data depends on how closely their capabilities mimic those of the flight instrument. The JSC lab MB instruments are equivalent to the MER instruments except without flight qualified components and no reference channel Co-57 source. Data from analog samples were critical for identification of Mg-Fe carbonate at Gusev crater. Fiber-optic VNIR spectrometers are used to obtain CRISM-like spectral data over the range 350-2500 nm, and data for Fephyllosilicates show irreversible behavior in the electronic transition region upon dessication. The MB and VNIR instruments can be operated within chambers where, for example, the absolute H2O concentration can be measured and controlled. Phoenix's TEGA consisted of a calorimeter coupled to a mass spectrometer (MS). The JSC laboratory testbed instrument consisted of a differential scanning calorimeter (DSC) coupled to a MS configured to operate under total pressure (12 mbar), heating rate (20 C/min), and purge gas composition (N2) analogous to the flight TEGA. TEGA detected CO2 release at both low (400-680 C) and high (725-820 C) temperature and an endothermic reaction in concert with the high temperature release. The high-temperature thermal decomposition is consistent with calcite, dolomite, or ankerite, (3-6 wt.%) or any combination of these phase based upon laboratory testbed experiments. Recent laboratory experiments suggest that the low temperature CO2 release was caused by a reaction between calcium carbonate and hydrated magnesium perchlorate; although, CO2 release by the oxidation of organic materials and Fe-/Mg-rich carbonates cannot be ruled out. MSL landed in Gale crater on August 5, 2012. Although numerous analog samples have been analyzed on the JSC laboratory testbeds, no SAM, CheMin, or ChemCam analyses have been acquired by MSL to date. The JSC SAM laboratory testbed consists of a thermal analyzer coupled with a MS configured to operate under total pressure (30 mbar), heating rate (35 C/min), and purge gas composition (He) analogous to the flight SAM. The CheMin and ChemCam laboratory testbeds were developed and built by inXitu, Inc. and Los Alamos National Laboratory, respectively, to acquire datasets relevant to the MSL CheMin and ChemCam flight instruments.

Ming, D. W.↗
NASA NTRSDate not supplied

An Open-Science Approach to Address Individual Response to Simulated GCR In Genetically Diverse Populations of Mice and Humans

This project addresses the challenge of understanding and predicting individual radiation sensitivity by integrating genetics, demographics and biomarker characteristics across species (mice and humans). We hypothesize that ex vivo DNA repair response to GCR components is a central determinant of cancer risk from space radiation and can serve as a biomarker of radiation risk in combination with genetics. Automated image quantification of 53BP1+ radiation-induced foci (RIF) during the first 4-48 h post-irradiation was performed as a function of dose and LET in non-immortalized primary skin fibroblasts derived from 76 mice across 15 strains (5 inbred reference strains and 10 collaborative-cross strains) exposed to X rays (0.1, 1 and 4 Gy), 350 MeV/n 40Ar and 600 MeV/n 56Fe (1.1 and 3 particles/100sq. μm), as well as in peripheral blood mononuclear cells (PBMCs) from 768 healthy donors (matched ethnicity, 50/50 male/female, 18-70 years old) exposed to gamma rays (0.1 and 1 Gy), 350 MeV/n 28Si, 350 MeV/n 40Ar and 600 MeV/n 56Fe (1.1 and 3 particles/100sq. μm). A genome-wide association study (GWAS) was performed on the mouse strains between DNA damage responses to space radiation and single nucleotide polymorphisms (SNPs). We found SNPs, which were significantly associated to the RIF phenotype, mapped to genes and pathways that are functionally linked to health hazards for deep space exploration (e.g. carcinogenesis, nervous system damage and immune dysfunction). Some of these SNPs were located within protein coding regions, potentially interfering with protein functions and providing promising genetic targets for countermeasures. We also found correlations between both spontaneous and radiation-induced DNA damage and SNPs mapped to pathways associated with cellular metabolism. GWAS is undergoing for the human data. All data have been made available via the NASA Space Biology Open-Science database (genelab.nasa.gov) and we will discuss how various genomic and transcriptomic datasets can be accessed for modeling and integrated using machine learning methods for discovering new radiation biology.

Sylvain V Costes↗
NASA NTRS2019

Multiabsorber Transition-Edge Sensors for X-Ray Astronomy

We are developing arrays of position-sensitive microcalorimeters for future x-ray astronomy applications. These position-sensitive devices commonly referred to as hydras consist of multiple x-ray absorbers, each with a different thermal coupling to a single-transition-edge sensor microcalorimeter. Their development is motivated by a desire to achieve very large pixel arrays with some modest compromise in performance. We report on the design, optimization, and first results from devices with small pitch pixels (<75 μm) being developed for a high-angular and energy resolution imaging spectrometer for Lynx. The Lynx x-ray space telescope is a flagship mission concept under study for the National Academy of Science 2020 decadal survey. Broadband full-width-half-maximum (FWHM) resolution measurements on a 9-pixel hydra have demonstrated ΔE(FWHM) = 2.23 ± 0.14 eV at Al-Kα, ΔE(FWHM) = 2.44 ± 0.29 eV at Mn-Kα, and ΔE(FWHM) = 3.39 ± 0.23 eV at Cu-Kα. Position discrimination is demonstrated to energies below <1 keV and the device performance is well-described by a finite-element model. Results from a prototype 20-pixel hydra with absorbers on a 50-μm pitch have shown ΔE(FWHM) = 3.38 ± 0.20 eV at Cr-Kα1. We are now optimizing designs specifically for Lynx and extending the number of absorbers up to 25/hydra. Numerical simulation suggests optimized designs could achieve ∼3 eV while being compatible with the bandwidth requirements of the state-of-the art multiplexed readout schemes, thus making a 100,000 pixel microcalorimeter instrument a realistic goal.

Smith, Stephen J.↗
DOE OSTI2025

Analyzing LF/VLF Lightning Waveforms to Estimate D-region Electron Density Profiles

Lightning waveforms in the low frequency (LF; 30-300 kHz) and the very low frequency (VLF; 3-30 kHz) bands can be exploited to produce data-driven ionospheric D-region electron density profile (EDP) estimates with significantly higher spatial and temporal coverage than previously available. The lightning waveforms used in this paper are signals detected in the LF/VLF of negative cloud-to-ground lightning by the Earth Networks Total Lightning Detection Network. Each waveform contains a ground wave and a time-delayed ionospheric reflection. The time delay between the ground wave and ionospheric reflection has previously been used to estimate a single specular reflection altitude, where LF/VLF emissions are reflected by the ionosphere. Here, we expand upon previous methods to include filtering and spectral analysis, and account for oblique propagation to produce higher-order estimates for reflection altitudes and corresponding electron densities. Once estimated, reflection altitudes and corresponding electron densities can be used to derive parameters β and h’, which define an EDP for the D-region. In this study, the lightning waveform (LW) analysis is demonstrated using a single representative 24-hour dataset over the Southeast United States, and then extended to a total of 10 separate datasets with varying locations and ionospheric conditions. The LW-derived D-region EDPs are in agreement with predictions made by the Faraday International Reference Ionosphere model, and the LW EDPs β and h’ values are consistent with previous LF/VLF-derived estimates.

D-region ionosphere↗
DOE OSTI2026

ARM Data-Oriented Metrics and Diagnostics Package for Climate Model Evaluation

A Python-based metrics and diagnostics package is currently being developed by the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Infrastructure Team at Lawrence Livermore National Laboratory (LLNL) to facilitate the use of long-term, high-frequency measurements from the ARM Facility in evaluating the regional climate simulation of clouds, radiation, and precipitation. This metrics and diagnostics package computes climatological means of targeted climate model simulation and generates tables and plots for comparing the model simulation with ARM observational data. The Coupled Model Intercomparison Project (CMIP) model data sets are also included in the package to enable model intercomparison as demonstrated in Zhang et al. (2017). The mean of the CMIP model can serve as a reference for individual models. Basic performance metrics are computed to measure the accuracy of mean state and variability of climate models. The evaluated physical quantities include cloud fraction, temperature, relative humidity, cloud liquid water path, total column water vapor, precipitation, sensible and latent heat fluxes, and radiative fluxes, with plan to extend to more fields, such as aerosol and microphysics properties. Process-oriented diagnostics focusing on individual cloud- and precipitation-related phenomena are also being developed for the evaluation and development of specific model physical parameterizations. The version 1.0 package is designed based on data collected at ARM’s Southern Great Plains (SGP) Research Facility, with the plan to extend to other ARM sites. The metrics and diagnostics package is currently built upon standard Python libraries and additional Python packages developed by DOE (such as CDMS and CDAT). The ARM metrics and diagnostic package is available publicly with the hope that it can serve as an easy entry point for climate modelers to compare their models with ARM data. In this report, we first present the input data, which constitutes the core content of the metrics and diagnostics package in section 2, and a user's guide documenting the workflow/structure of the version 1.0 codes, and including step-by-step instruction for running the package in section 3.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

Planetary Surface Operations and Utilization: How ISS and Artemis Missions Can Be Used to Model Human Exploration of Mars

As NASA moves forward with plans to send astronauts to the Moon under Artemis missions and prepare for human exploration of Mars, the Agency is developing a set of high-level objectives for human spaceflight, identifying 50 points falling into four overarching categories of exploration. An element in NASA’s overall process of achieving these objectives is to leverage its assets and missions – such as the many crew increments sent to the International Space Station and future Artemis expeditions sent to the Moon – to develop more robust spaceflight systems and build a culture of interplanetary human exploration. This paper describes several examples of how NASA is exercising a process to achieve these objectives for future human Mars surface missions; both (a) building on lessons learned from ISS missions and maturing plans for Artemis missions, and (b) using human Mars mission planning to inform the plans for future ISS and Artemis missions so that the knowledge gained will reduce uncertainty and risk for Mars. One focal point for this two-way interaction between ISS and Artemis with future human Mars missions is a document titled “Reference Surface Activities for Crewed Mars Mission Systems and Utilization” (HEOMD-415), which describes the systems and operations of the crew thought necessary for the first human Mars surface mission. The details described in this paper will address three specific aspects of HEOMD-415 that have been influenced by ISS and where HEOMD-415 is influencing plans in ISS, Artemis, research and technology development, and other related aspects: (1) crew (activity planning and medical), (2) Mars surface infrastructure, and (3) communication and navigation support. The paper will close by describing near-term opportunities for tests and analogs relevant to these aspects of HEOMD-415.

Mars↗
NASA NTRSDate not supplied

PLANETARY SURFACE OPERATIONS AND UTILIZATION: HOW ISS AND ARTEMIS MISSIONS CAN BE USED TO MODEL HUMAN EXPLORATION OF MARS

As NASA moves forward with plans to send astronauts to the Moon under Artemis missions and prepare for human exploration of Mars, the Agency is developing a set of high-level objectives for human spaceflight, identifying 50 points falling into four overarching categories of exploration. An element in NASA’s overall process of achieving these objectives is to leverage its assets and missions – such as the many crew increments sent to the International Space Station and future Artemis expeditions sent to the Moon – to develop more robust spaceflight systems and build a culture of interplanetary human exploration. This paper describes several examples of how NASA is exercising a process to achieve these objectives for future human Mars surface missions; both (a) building on lessons learned from ISS missions and maturing plans for Artemis missions, and (b) using human Mars mission planning to inform the plans for future ISS and Artemis missions so that the knowledge gained will reduce uncertainty and risk for Mars. One focal point for this two-way interaction between ISS and Artemis with future human Mars missions is a document titled “Reference Surface Activities for Crewed Mars Mission Systems and Utilization” (HEOMD-415), which describes the systems and operations of the crew thought necessary for the first human Mars surface mission. The details described in this paper will address three specific aspects of HEOMD-415 that have been influenced by ISS and where HEOMD-415 is influencing plans in ISS, Artemis, research and technology development, and other related aspects: (1) crew (activity planning and medical), (2) Mars surface infrastructure, and (3) communication and navigation support. The paper will close by describing near-term opportunities for tests and analogs relevant to these aspects of HEOMD-415.

Mars↗
DOE OSTI2015

SU-E-J-79: Evaluation of Prostate Volume Changes During Radiotherapy Using Implanted Markers and On-Board Imaging

Purpose: To evaluate prostate volume changes during radiation therapy using implanted gold markers and on-board imaging. Methods: Twenty-five patients were included who underwent an implantation of three gold markers. Cartesian coordinates of markers were assessed in kV-images. The coordinates of centers of two markers were measured on kV-images from the center of the marker at the apex which was reference. The distances between the markers were extrapolated from the coordinates using the Euclid formula. The radius of the sphere through markers was calculated using sinus theorem. The prostate volume for the first and last fraction was substituted with a sphere model and was calculated for each patient. The t-test was used for analysis. Results: The mean prostate volume for first and last fraction was 24.65 and 20.87 cc, respectively (p≤0.05). The prostate volume was smaller for 23 patients, whereas there was an expansion for 2 patients. Fifteen patients had androgen deprivation during radiotherapy (H group) and ten did not (NH group). The mean prostate volume for the first and last fraction for the NH group was 30.73 cc and 24.89 cc and for the H group 20.84 cc and 18.19 cc, respectively. There was a 15.8% volume change during treatment for the NH group and 12.2% for the H group, but the difference was not statistically significant. The radius difference of the theoretical sphere for the first and last fraction was 0.98 mm (range, 0.09–2.95 mm) and remained below 2 mm in 88% of measurements. Conclusion: There was a significant volume change during prostate radiotherapy. The difference between H group and NH group was not significant. The radius changes did not exceed 3 mm and it was below adaptive treatment requirements. Our results indicate that prostate volume changes during treatment should be taken into account during contouring and treatment planning.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Probabilistic risk-based Area of Review (AoR) determination for a deep-saline carbon storage site

Regulatory oversight of a geologic carbon sequestration (GCS) project relies on iterative estimations, throughout the project lifetime, of the area where increased risks to underground sources of drinking water (USDWs) may occur due to injection of CO2. This area, referred to as Area of Review (AoR), is typically delineated by predicting the migration of fluid between the reservoir and the lowermost USDW via an open wellbore using predictions from physics-based reservoir simulators. The inherent uncertainty in input parameters used in reservoir modeling therefore affects the accuracy of determining the AoR for a project. Furthermore, the standard analytical approaches for calculating a critical pressure to delineate the risk area yield an infinite AoR for cases where the injection reservoir is overpressured relative to the USDW. A methodology is presented in this paper to better characterize the risk to USDWs while accounting for the uncertainty in reservoir modeling, with an application to a permitted GCS project with an overpressured injection formation, FutureGen 2.0. The methodology is demonstrated using the National Risk Assessment Partnership’s open-source integrated assessment model (NRAP-Open-IAM) to develop a probabilistic estimate of impact risk to USDW quality. CO2 and pressure predictions from the reservoir modeling conducted using the STOMP-CO2 simulator for the FutureGen 2.0 site are used in a NRAP-Open-IAM model with reservoir, wellbore, and aquifer components to: (1) assess the extent of potential leakage into the USDW for the predicted reservoir pressure conditions; (2) evaluate the extent of potential impact using “no-net-degradation” thresholds; and (3) account for uncertainty in reservoir permeabilities.

03 NATURAL GAS↗
DOE OSTI2014

Experimental and modeling study of fuel interactions with an alkyl nitrate cetane enhancer, 2-ethyl-hexyl nitrate

Our study investigates the autoignition behavior of two gasoline surrogates doped with an alkyl nitrate cetane enhancer, 2-ethyl-hexyl nitrate (2EHN) to better understand dopant interactions with the fuels, including influences of accelerating kinetic pathways and enhanced exothermicity. A primary reference fuel (PRF) blend of n-heptane/iso-octane, and a toluene reference fuel (TRF) blend of n-heptane/iso-octane/toluene are used where the aromatic fraction of the latter is set to 20% (liquid volume), while the content of n-heptane is adjusted so that the overall reactivity of the undoped fuels is similar, e.g., Anti-Knock Index (AKI) of similar to 91, Cetane Number (CN) similar to 25. Doping levels of 0.1, 1.0 and 3.0% (liquid volume basis) are used where tests are conducted within a rapid compression machine (RCM) at a compressed pressure of 21 bar, covering temperatures from 675 to 1025 K with stoichiometric fuel-oxygen ratios at O-2 = 11.4%. At the experimental conditions, it is found that the doping effectiveness of 2EHN is fairly similar between the two fuels, though 2EHN is more effective in the aromatic blend at the lowest temperatures, while it is slightly more effective in the non-aromatic blend at intermediate temperatures. Furthermore, kinetic modeling of the experiments indicates that although some of the reactivity trends can be captured using a detailed model, the extents of predicted Cetane Number enhancement by 2EHN are too large, while differences in fuel interactions for the two fuels result in excessive stimulation of the non-aromatic blend. Sensitivity analysis using the kinetic model indicates that the CH 2 O and CH 3 O 2 chemistry are very sensitive to the dopant at all conditions. The rate of 2EHN decomposition is only important at low temperatures where its decomposition rate is slow due to the high activation energy of the reaction. At higher temperatures, dopant-derived 3-heptyl radicals are predicted to play an important role stimulating ignition. Finally, nitrogen chemistry is important through the 'NO - NO 2 loop' where this can generate substantial amounts of OH. But, at the highest doping levels the formation of methyl and ethyl nitrite, and nitric acid significantly competes with this so that less OH is generated and this constrains the reactivity enhancement of 2EHN.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS2002

Mountain-Top-to-Mountain-Top Optical Link Demonstration

A mountain-top-to-mountain-top optical communications demonstration was conducted between the JPL Table Mountain Facility (TMF), Wrightwood, California, and Strawberry Peak (SP), Lake Arrowhead, California, during the months of August and September of 2000. The link was nearly horizontal at an altitude of 2 km and spanned a range of 46.8 km. A 780-nm multibeam beacon broadcast from TMF was received by the JPL Optical Communications Demonstrator (OCD) located at SP. The received beacon was utilized as a pointing reference to retransmit an 852-nm communications laser beam, modulated at 400 Mb/s by a PN7 pseudo-random bit stream (PRBS) sequence. The long atmospheric path resulted in atmospheric-turbulence-induced angle-of-arrival fluctuations of the beacon at the OCD aperture. A .ne-steering control loop was used to track the resulting beacon centroid motion and update the pointing of the communications laser beam transmitted from SP to TMF. Fried parameters, or r0, inferred from focal spot sizes received at SP were 4 to 5 cm whereas, using the spot sizes received at TMF, they were 2 to 3 cm. In both cases, theory predicts larger r0 values. The predicted angle-of-arrival fluctuations compare well with measured rms displacements exhibited by the focal spots at either end of the link. An uncompensated error of ~1.1 rad in the x-axis and ~2 rad in the y-axis was obtained using centroid data logged by the OCD. Average bit-error rates of 10-5 were recorded for extended periods of time. An atmospheric coherence length r0 of 3 to 5 cm was inferred using the focal-plane spot size measured on the CCD tracking sensor and compared to a predicted value of 5 to 7 cm using reasonable atmospheric models. The irradiance bounds required for the CCD tracking sensor to perform centroiding was found to range from 2000 to 3000 integrated pixel counts, although a more reliable range was 600 to 3000, indicating a dynamic range of 6 to 11 dB. The motion of the spot on the focal plane was also recorded and yielded rms angle-of-arrival-induced focal-plane displacement of 9 to 11 m, compared to a predicted value of 7.8 to 11 m. The irradiance measurements made with the OCD clearly indicate that best tracking performance is obtained when the mean received signal is 2000 to 2200 counts. The best tracking performance resulted in an rms uncompensated error of 1.1 rad. The uncompensated error appeared to increase with either an increase or decrease in mean beacon-signal level. The rms uncompensated error determined by deriving the beacon displacement power spectral density from the beacon centroid-versustime data and the rejection function of the control loop yielded a higher value of 3.4 rad.

Biswas, A.↗
NASA NTRS2007

[Space Weather Impact on the Electricity Market]

Forbes & St. Cyr (2004, hereafter "FISC") have provided evidence that the electricity market can be impacted by space weather. Our analysis indicated that the estimated market impact for PJM was 3.7 % or approximately $500 million dollars over the 19 month sample period. Kappenman has taken exception to this estimate and contends that we have exaggerated the magnitude of the problem that space weather poses to PJM. There are four specific issues: (1) he claims that we have ignored relevant literature; (2) he asserts that Dst is not an appropriate proxy for GICs in PJM; (3) he charges that our findings are inconsistent with the impact of the 17 September 2000 storm; and (4) he alleges that our discussion of October 2003 storms is misleading. In our article, we have explained our methodology, multivariate regression analysis, with a particular focus on how it compares to correlation analysis. We have also explained the limitations of our analysis. We noted that "...While the Dstlprice relationship was found to be robust, the precise estimate should be treated with a relatively high degree of caution given that econometric modeling is not an exact science as well as the fact that the measure of space weather may be a poor proxy for GICs" (paragraph 96). We have also noted that additional research using local magnetometer data are needed (paragraph 97). We did not claim that that our findings for PJM are representative of the impact of space weather on other power grids. On the contrary, we noted that ... "Only analysis of other power grids will tell. " (paragraph 97). Kappenman inaccurately asserts that we have indicated that our findings . . . "imply much higher total costs are likely across the US and elsewhere in the world." He also inaccurately asserts that we have claimed that " . . . Dst is the most suited proxy for GIC in the PJM grid.. ." Moreover, he inaccurately refers to our analysis as a correlation study that uses Dst as quasi-binary indicator.

SaintCyr, O. Chris↗
DOE OSTI2015

Design of water-moderated heterogeneous cores in new STACY facility through JAEA/IRSN collaboration - 14363

In the post-Fukushima prospect, Japan Atomic Energy Agency, JAEA, intends to re-open its Static Experiment Critical Facility STACY, in order to contribute to the validation of fuel debris calculations in conditions close to those affected by the Fukushima Daiichi Nuclear Power Station accident. The reactor core of STACY is being modified by JAEA from homogeneous solution fuel core to heterogeneous pin- type fuel core. The first step of critical experiments is to establish reference experiments involving lattices of UO{sub 2} rods without fuel debris. A design of such experiments is in progress for the widest range of moderation ratios in the frame of JAEA/IRSN collaboration. To anticipate the specification values of materials to be manufactured (grids, rods), an evaluation of uncertainties pertaining to the different parameters driving k{sub eff} is paramount. The following uncertainties of experimental cores are evaluated to estimate the reactivity effect of engineering tolerance/or measurements of the modified STACY: (1) Density of fuel pellets, (2) Enrichment of uranium, (3) Diameter of fuel pellets, (4) Thickness of fuel claddings, (5) Impurities of fuel pellets, (6) Impurities of fuel claddings and (7) Positioning of fuel rods in the lattice. For these calculations, three types of moderation conditions were considered within the experimental parameters of STACY: the lowest moderation (lattice pitch = 1.15 cm; V{sub m}/V{sub f}=1.2), optimum moderation (lattice pitch = 1.5 cm, V{sub m}/V{sub f} = 2.9) and an over moderated case (lattice pitch = 2.55 cm; V{sub m}/V{sub f} = 11). The calculations to derive the overall uncertainty of modified STACY were performed propagating the 1σ uncertainties of parameters of existing STACY in terms of k{sub eff}. For that purpose, a perturbation calculation (differential operator) technique and a stochastic geometry modeling technique were used with the MCNP5 continuous energy Monte Carlo code and a point-wise cross section library based on the JENDL-4.0 evaluated nuclear data library. Moreover, the results of calculations were compared with those calculated by two continuous energy Monte Carlo codes using the correlated sampling technique: - An experimental version of the Japanese MVP2 code combined to the JENDL-4.0 nuclear data library, - The MORET 5 code, developed by IRSN, combined to the JEFF-3.1 nuclear data library. The proposed paper discusses all the aforementioned issues, and confirms that the uncertainty pertaining to the critical experiments of the STACY is sufficiently small. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

3d-3d correspondence for mapping tori

One of the main challenges in 3d-3d correspondence is that no existent approach offers a complete description of 3d N = 2 SCFT T [ M 3 ] — or, rather, a “collection of SCFTs” as we refer to it in the paper — for all types of 3-manifolds that include, for example, a 3-torus, Brieskorn spheres, and hyperbolic surgeries on knots. The goal of this paper is to overcome this challenge by a more systematic study of 3d-3d correspondence that, first of all, does not rely heavily on any geometric structure on M 3 and, secondly, is not limited to a particular supersymmetric partition function of T [ M 3 ]. In particular, we propose to describe such “collection of SCFTs” in terms of 3d N = 2 gauge theories with “non-linear matter” fields valued in complex group manifolds. As a result, we are able to recover familiar 3-manifold invariants, such as Turaev torsion and WRT invariants, from twisted indices and half-indices of T [ M 3 ], and propose new tools to compute more recent q -series invariants Z * ( M 3 ) in the case of manifolds with b 1 > 0. Although we use genus-1 mapping tori as our “case study,” many results and techniques readily apply to more general 3-manifolds, as we illustrate throughout the paper.

Topological Field Theories↗
DOE OSTI2022

Design and Optimization of Structured Multi-Functional Trapping Catalysts for Conversion of Hydrocarbons and NOx from Diesel and Advanced Combustion Engines

Oxides of nitrogen in the form of nitric oxide (NO) and nitrogen dioxide (NO 2 ) commonly referred to as NOx, is one of the two chemical precursors that lead to ground-level ozone, a ubiquitous air pollutant in urban areas. A major source of NOx is generated by equipment and vehicles powered by diesel engines, which have a combustion exhaust that contains NOx in the presence of excess O 2 . Vehicular emission control catalysts are ineffective in eliminating CO, hydrocarbons, and NOx during engine cold-start when exhaust temperatures are below 200°C. The objective of the project was to develop and demonstrate a multi-functional, catalyzed trap that enables vehicles with advanced combustion strategies to meet Tier 3 emissions standards while achieving the 150 °C challenge for sustained co-oxidation of HCs and CO and ≥90% NO trapping and release during warmup. Specifically, the multi-functional Lean HC+NOx (LHCNT) was developed for application in the exhaust aftertreatment of conventional diesel engines and engines having low temperature combustion (LTC) regimes. Activities included the design and synthesis of adsorbents and catalysts, screening and evaluation. Passive NOx absorbers (PNA), hydrocarbon (HC) traps, and oxidation catalysts (OC) were evaluated for use in series or as integrated devices. Predictive tools were developed utilizing the characterization and analysis of these materials, and an emission system was designed and optimized utilizing the catalyst systems. Microkinetic models were developed for the PNA for the simple NO-only feed and complex feed containing CO, H 2 , and model hydrocarbons (ethylene and dodecane). A first-principles, mechanistic-based model of the PNA was developed which utilized molecular-scale estimates (density functional theory) of energy barriers, mechanistic-based kinetics and realistic treatments of the flow and transport processes. Two new oxidation catalysts were developed (PdCu alloy, mixed copper-ceria-cobalt oxide), both of which significantly lessened the detrimental inhibition by CO on hydrocarbon and NO oxidation. A method for lessening the detrimental impact of CO on PNA activity was developed that involves use of an oxidation catalyst upstream of the PNA. The SwRI Ectolab TM burner system was applied to evaluate the baseline PNA material and confirmed performance comparable to the benchflow PNA studies using simulated exhaust. Spatially-resolved mass spectrometry (SpaciMS) was used to measure the transient spatial profiles of reacting species spanning the length of a three-function LHCNT containing PNA, HCT, and OC. The findings from this study provide diesel vehicle and catalyst companies valuable information to develop more cost effective emission control catalysts which helps to expand the use of more fuel efficient diesel power. The fundamental modeling and experimental tools and findings from this project can be applied to catalyst technologies used in the energy and chemical industries. The project led to 14 publications in the peer-reviewed literature with 2 additional currently under review. Finally, the project also led to training of several doctoral students who were placed in research jobs in industry and academia. Specifically, Mugdha Ambast (UH) has joined Cummins, Kevin Gu (UVa) has joined GM, and Abhay Gupta (UH) is to join Caterpillar.

02 PETROLEUM↗
DOE OSTI2017

Implementation of a pressure correction term in the CTF sub-channel code

CTF [1] is a modernized and improved version of the legacy subchannel code, COBRA-TF [2], that is being jointly developed and maintained by Oak Ridge National Laboratory (ORNL) and North Carolina State University. The code was adopted by ORNL for use in the Consortium for Advanced Simulation of Light Water Reactors (CASL) in 2012 for aiding in addressing CASL challenge problems. Since that time, activities related to CTF have included implementing software quality assurance measures, implementing new features and models, performing validation and verification testing, establishing and supporting a CTF User Group, and developing the code for use in coupled applications [3, 4, 5]. CTF is applicable to single- and two-phase flows in light water reactor geometries at normal and accident operating conditions. The two-phase flow model consists of the six-equation two-phase flow model [6] augmented by equations for the droplet field and also includes appropriate source terms. This work focuses on the numerical stability of the six-equation two-phase flow model and is part of a recent eort to improve CTF capabilities for simulating flows in boiling nuclear reactors (BWRs). As it is of common knowledge among the thermodynamic community, the six-equation two-phase flow model is not strongly hyperbolic, meaning some of its eigenvalues are either not real or not distinct [7]. In a Cauchy sense and for an initial-value problem, strong hyperbolicity was found to be equivalent to well-posedness which ensures uniqueness of the solution in the space-time used. This concept is also of importance when designing high-order numerical methods and also when implementing boundary conditions that rely on real eigenvalues such as Riemann solvers. A tremendous amount of research is available in the literature on how to hyperbolize the six-equation two-phase flow model by adding ad hoc terms to the system of equations often referred to as virtual mass or interfacial pressure correction term. From a mathematical prospective, the main idea driving this approach is to add terms to the phasic momentum equation containing first-order partial derivatives of the unknowns to modify the Jacobian matrix and thus canceling the imaginary part of the eigenvalues.For this work it was chosen to implement a interfacial pressure correction (IPC) term on the same model as what was done for the CATHARE system code [8], that allows to recover a two-pressure formulation. In the following, the six-equation two-phase flow model is recalled along with the IPC term and its influence on the eigenvalues. Then, numerical results and convergence studies are presented for a water-faucet problem [9] at a pressure of 10 bar. Finally, conclusions and future work are addressed.

Delchini, Marco↗
NASA NTRSDate not supplied

Chemical Reactivity of In-Situ Lunar Dust for Biotoxicity Assessment

Introduction: How does the chemical reactivity of in-situ lunar dust compare to Apollo samples currently stored in curation facilities here on Earth? Essential investigations of this question will help us to further mitigate exploration risks for future human explorers on the Moon and will also provide critical information for astrobiologists and space biologists using the Moon for scientific inquiry. Discussion: Apollo 14 dust biotoxicity studies, carried out by the NASA Lunar Airborne Dust Toxici-ty Assessment Group (LADTAG), included numerous physiochemical studies[1] and cellular and animal ex-periments. Intratracheal instillation [2] and inhalation studies [3] in rats both showed Apollo 14 dust to be intermediate in toxicity compared to low-tox titanium dusts and high-tox quartz dusts of similar particle siz-es. The collective results were used in models [4] to establish a safe exposure limit for astronauts [5]. Alt-hough LADTAG took extensive steps to preserve what chemical reactivity may still have existed in the sam-ples, it is simply unknown if they possessed true in-situ chemical reactivity or if that reactivity has de-cayed. Initial gas loss on collection and other altera-tions, and even intermittent exposure to Earth-normal conditions during subsequent decades of handling, obscure a forensic reconstruction of the initial state. Because a mineral dust’s chemical reactivity influ-ences its biotoxicity [6], researchers have developed methods to “activate” lunar dust and simulants [7][8]. Past studies that modeled impact processes and radia-tion [9] in the lunar environment suggest that in-situ lunar dust is likely to be more chemically reactive than Earth-exposed samples. Because of these results, in-situ measurements are warranted [10]. Other studies have examined the hydroxyl generating capability of iron bearing mineral phases [11][12] and further em-phasize the role iron plays in chemical reactivity of lunar material, as well as decay of chemical reactivity in mineral dusts [12]. Recent observations of the lunar surface reveal the presence of hematite [13], a finding that further supports the hypothesis that in-situ lunar dust is reactive. Since the lunar surface is heterogene-ous, dust biotoxicity is expected to vary from site to site [14] due to particle size, mineralogy, physical characteristics, degree of space weathering, and chemi-cal reactivity (Figure 1). This circumstance dictates dust assessments at a suite of lunar sites enabled by upcoming NASA and commercial lunar payload ser-vices (CLPS) opportunities. Dose, location, and dura-tion of particle exposure will also affect biological responses. In-situ chemical reactivity measurements can inform cross-cutting collaborative research cam-paigns such as astrobiology studies examining regolith interactions with organisms and its ability to preserve chemical and structural biomarkers, as well as space biology investigations that examine regolith-microbe interactions relating to life support systems, plant growth, biomining, and development of regolith bio-composites. Figure 1: Environment conditions on the lunar surface that may alter regolith reactivity. Summary A series of in-situ measurements of lu-nar dust free radical chemistry at future Artemis and CLPS landing sites, combined with LADTAG-like studies of freshly collected lunar dust specimens, will reveal the true chemical reactivity of in-situ lunar dust and generate scientific data that can be compared to the chemical reactivity and biotoxicity of samples from Apollo landing sites. Furthermore, results from in situ measurements and biotoxicity studies of freshly col-lected specimens can also be used to validate, or re-quire revision of, the current astronaut permissible exposure limit [15]. References: [1] McKay D et al (2015), Acta As-tronaut 107:163–176. [2] Rask J et al (2013), LPSC, p 3062. [3] Lam CW et al (2013), Inhal Toxicol 25:661–678. [4] James JT, et. al. (2013) , Inhal Toxicol 25:243–256. [5] Scully RR, et.al. (2013), Inhal Toxi-col 25:785–793. [6] Porter, D. W., et.al., (2002), Tox-icology 175, 63–71. [7] Wallace WT, et.al., (2009), Meteorit Planet Sci 44:961–970. [8] Wallace WT, et.al., (2010), Earth Planet Sci Lett 295:571–577. [9] Loftus D, Rask J, et.al., (2010), Earth Moon Planet 107:95–105. [10] Rask J, et.al., (2009) LEAG p 57. [11] Turci F, et.a., (2015), Astrobiology. 2015;15(5):371-380. [12] Hendrix DA, et.al., (2019), Geohealth. 2019;3(1):28-42. [13] Li, S., et.al., (2020), Science advances, 6(36), p.eaba1940. [14] Rask J. (2018), In: Cudnik B. (eds) Encyclopedia of Lunar Science. Springer, Cham. [15] Rask, J, (2020), LPI, Artemis III Sci. def. paper 2120.

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DOE OSTI2015

Determination of interstellar He parameters using five years of data from the IBEX: Beyond closed form approximations

Interstellar He represents a key sample of interstellar matter that, due to its high first ionization potential, survives the journey from beyond our solar system’s heliospheric boundaries to Earth. Ongoing analysis of interstellar neutral (ISN) He atoms by the Interstellar Boundary Explorer (IBEX) has resulted in a growing sophistication in our understanding of the local interstellar flow. A key feature of the IBEX observations near perihelion of the ISN trajectories is a narrow “tube” of approximately degenerate interstellar parameters. These degenerate solutions provide a tightly coupled relationship between the interstellar flow longitude and latitude, speed, and temperature. However, the IBEX analysis resulting in a specific solution for the inflow longitude, inflow speed, temperature, and inflow latitude was accompanied by a sizeable uncertainty along the parameter tube. Here, we use the three-step method to find the interstellar parameters: (1) the ISN He peak rate in ecliptic longitude uniquely determines a relation (as part of the tube in parameter space) between the longitude λ{sub ISN∞} and the speed V{sub ISN∞} of the He ISN flow at infinity; (2) the ISN He peak latitude (on the great circle swept out in each spin) is compared to simulations to derive unique values for λ{sub ISN∞} and V{sub ISN∞} along the parameter tube; and (3) the angular width of the He flow distributions as a function of latitude is used to derive the interstellar He temperature. For simulated peak latitudes, we use a relatively new analytical tool that traces He atoms from beyond the termination shock into the position of IBEX and incorporates the detailed response function of IBEX-Lo. By varying the interstellar parameters along the IBEX parameter tube, we find the specific parameters that minimize the chi-square difference between observations and simulations. The new computational tool for simulating neutral atoms through the integrated IBEX-Lo response function makes no assumptions or expansions with respect to the spin-axis pointing or frame of reference. Thus, we are able to move beyond closed-form approximations and utilize observations of interstellar He during the complete five year period from 2009 to 2013 when the primary component of interstellar He is most prominent. Chi-square minimization of simulations compared to observations results in a He ISN flow longitude of 75.°6 ± 1.°4, latitude of −5.°12 ± 0.°27, speed of 25.4 ± 1.1 km s{sup −1}, and temperature of 8000 ± 1300 K, where the uncertainties are related and apply along the IBEX parameter tube. This paper also provides documentation for a new release of ISN data and associated model runs.

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