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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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808 records · Page 45

A Flow-Channel Analysis for the Mars Hopper

The Mars Hopper is an exploratory vehicle designed to fly on Mars using carbon dioxide from the Martian atmosphere as a rocket propellant. The propellent gasses are thermally heated while traversing a radioisotope ther- mal rocket (RTR) engine’s core. This core is comprised of a radioisotope surrounded by a heat capacitive material interspersed with tubes for the propellant to travel through. These tubes, or flow channels, can be manu- factured in various cross-sectional shapes such as a special four-point star or the traditional circle. Analytical heat transfer and computational fluid dynamics (CFD) anal- yses were performed using flow channels with either a circle or a star cross- sectional shape. The nominal total inlet pressure was specified at 2,805,000 Pa; and the outlet pressure was set to 2,785,000 Pa. The CO2 inlet tem- perature was 300 K; and the channel wall was 1200 K. The steady-state CFD simulations computed the smooth-walled star shape’s outlet temper- ature to be 959 K on the finest mesh. The smooth-walled circle’s outlet temperature was 902 K. A circle with a surface roughness specification at 0.01 mm gave 946 K and at 0.1 mm yielded 989 K. The The effects of a slightly varied inlet pressure were also examined. The analytical calculations were based on the mass flow rates computed in the CFD simulations and provided significantly higher outlet temperature results while displaying the same comparison trends. Research relating to the flow channel heat transfer studies was also done. Mathematical methods to geometrically match the cross-sectional areas of the circle and star, along with a square and equilateral triangle, were derived. A Wolfram Mathematica 8 module was programmed to analyze CFD results using Richardson Extrapolation and calculate the grid convergence index (GCI). A Mathematica notebook, also composed, computes and graphs the bulk mean temperature along a flow channel’s length while the user dynam- ically provides the input variables, allowing their effects on the temperature to be more easily observed.

33 ADVANCED PROPULSION SYSTEMS↗

SU-F-BRD-09: Is It Sufficient to Use Only Low Density Tissue-Margin to Compensate Inter-Fractionation Setup Uncertainties in Lung Treatment?

Purpose: In lung radiation treatment, PTV is formed with a margin around GTV (or CTV/ITV). Although GTV is most likely of water equivalent density, the PTV margin may be formed with the surrounding low-density tissues, which may lead to unreal dosimetric plan. This study is to evaluate whether the concern of dose calculation inside the PTV with only low density margin could be justified in lung treatment. Methods: Three SBRT cases were analyzed. The PTV from the original plan (Plan-O) was created with a 5–10 mm margin outside the ITV to incorporate setup errors and all mobility from 10 respiratory phases. Test plans were generated with the GTV shifted to the PTV edge to simulate the extreme situations with maximum setup uncertainties. Two representative positions as the very posterior-superior (Plan-PS) and anterior-inferior (Plan-AI) edge were considered. The virtual GTV was assigned a density of 1.0 g.cm−3 and surrounding lung, including the PTV margin, was defined as 0.25 g.cm−3. Also, additional plan with a 1mm tissue-margin instead of full lung-margin was created to evaluate whether a composite-margin (Plan-Comp) has a better approximation for dose calculation. All plans were generated on the average CT using Analytical Anisotropic Algorithm with heterogeneity correction on and all planning parameters/monitor unites remained unchanged. DVH analyses were performed for comparisons. Results: Despite the non-static dose distribution, the high-dose region synchronized with tumor positions. This might due to scatter conditions as greater doses were absorbed in the solid-tumor than in the surrounding low-density lungtissue. However, it still showed missing target coverage in general. Certain level of composite-margin might give better approximation for the dosecalculation. Conclusion: Our exploratory results suggest that with the lungmargin only, the planning dose of PTV might overestimate the coverage of the target during treatment. The significance of this overestimation might warrant further investigation.

60 APPLIED LIFE SCIENCES↗

A User-Centered Design Exploration of Factors That Influence the Rideshare Experience

The rise of real-time information communication through smartphones and wireless networks enabled the growth of ridesharing services. While personal rideshare services (individuals riding alone or with acquaintances) initially dominated the market, the popularity of pooled ridesharing (individuals sharing rides with people they do not know) has grown globally. However, pooled ridesharing remains less common in the U.S., where personal vehicle usage is still the norm. Vehicle design and rideshare services may need to be tailored to user preferences to increase pooled rideshare adoption. Based on a large, national U.S. survey (N = 5385), the results of exploratory and confirmatory factor analyses suggested that four key factors influence riders’ willingness to consider pooled ridesharing: comfort/ease of use, convenience, vehicle technology/accessibility, and passenger safety. A binomial logistic regression was conducted to determine how the four factors influence one’s willingness to consider pooled ridesharing. The two factors that positively influence riders’ willingness to consider pooled ridesharing are vehicle technology/accessibility (B = 1.10) and convenience (B = 0.94), while lack of passenger safety (B = –0.63) and comfort/ease of use (B = –0.17) are pooled ridesharing deterrents. Understanding user-centered design and service factors are critical to increase the use of pooled ridesharing services in the future.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Determination of the Risk of Radiation-Associated Circulatory and Cancer Disease Mortality in a NASA Early Astronaut Cohort

Of the many possible health challenges posed during extended exploratory missions to space, the effects of space radiation on cardiovascular disease and cancer are of particular concern. There are unique challenges to estimating those radiation risks; care and appropriate and rigorous methodology should be applied when considering small cohorts such as the NASA astronaut population. The objective of this work was to determine if there was sufficient evidence for excess risk of cardiovascular disease and cancer in early NASA astronaut cohorts. NASA astronauts in selection groups 1-7 were chosen; this relatively homogeneous cohort consists of 73 white males, who unlike today's astronauts, maintained similar smoking and drinking habits to the general US population, and have published radiation doses. The participants flew in space on missions Mercury through Shuttle and received space radiation doses between 0-74.1 milligrays. Cause of death information was obtained from the Lifetime Surveillance of Astronaut Health (LSAH) program at NASA Johnson Space Center. Mortality was compared with the US male population. Trends of mortality with dose were assessed using a logistic model, fitted by maximum likelihood. Only 32 (43.84 percent) of the 73 early astronauts have died. Standard mortality ratios (SMRs) for cancer (n=7, SMR=43.4, 95 percent CI 17.8, 84.9), all circulatory disease (n=7, SMR=33.2, 95 percent CI 13.7, 65.0), and ischemic heart disease (IHD) (n=5, SMR=40.1, 95 percent CI 13.2, 89.4) were significantly lower than for the US white male population. For cerebrovascular disease, the upper confidence interval for SMR included 100, indicating it was not significantly different from the US population (n=2, SMR = 77.0, 95 percent CI 9.4, 268.2). The power of the study is low and remains below 10 percent even when risks 10 times those reported in the literature are assumed. Due to small sample size, there is currently insufficient statistical power to evaluate space radiation exposure effects on mortality in NASA astronauts. In addition to a comprehensive longitudinal study of NASA astronauts, a research strategy of low dose epidemiology data integration with cell and animal studies should be utilized for space radiation risk assessment in the astronauts.

Elgart, S. R.↗

Potassium isotopic fractionation in a humid and an arid soil–plant system in Hawai‘i

Plants play a critical role in the cycling of potassium (K) and the fractionation of its isotopes. However, little is known about K stable isotopic compositions in natural soil–plant systems and possible fractionation during intra-plant transport and root-soil uptake of K. Herein this study focuses on K isotopic fractionation within a humid and an arid soil–plant system sampled on the windward and leeward sides of Kohala Mountain, Hawai‘i. We determined the K isotopic compositions of < 2-mm bulk soil, soil saturation extraction, and selected plant tissues by multi-collector inductively coupled plasma mass spectrometry and X-ray absorption spectroscopy. We studied soils and individual tissue samples such as roots, stems, barks, shoots (a sum of stems and fresh leaves), leaves (fresh and dead), seeds, and flowers of trees and grasses. The results demonstrated that: (i) tissue δ 41 K values ranged from –1.06 ± 0.06 to 1.15 ± 0.09‰; (ii) within the same plant, stems (barks), dead leaves, and reproductive tissues (flowers and seeds) were isotopically lighter compared to fresh leaves, and to a lesser extent, roots; (iii) δ 41 K values of the humid soil (-0.54 ± 0.07 to –0.49 ± 0.06‰) were lower than those of the arid soil (-0.24 ± 0.07 to –0.14 ± 0.06‰); and (iv) soil bioavailable pool δ 41 K (saturation extracts) ranged from –0.63 ± 0.08 to 0.34 ± 0.08‰ and 0.48 ± 0.08 to 0.54 ± 0.10‰ in the humid and arid soils, respectively. From synchrotron-based analysis of K atoms, we identified two major K-bearing phases co-existing as ionic K + and K-pectate association of different fractions. Based on K isotopic and synchrotron data, we conclude that two dominant processes are responsible for plant-mediated K isotopic fractionation, including (1) K redistribution during intra-plant circulation and (2) uptake at the root-soil interface. For intra-plant circulation of K, there is a high affinity of isotopically lighter K to organic complexes as K-pectate, and K-pectate is particularly enriched in roots and fresh leaves. For K uptake at root-soil interface, isotopically lighter K is preferentially taken by roots from soil bioavailable pools following a low-affinity (passive) transport path. Soil K budget in two sites reflects strong source mixing effects with limited plant imprints. This work provides exploratory data on the biogeochemical fractionation of K isotopes in the soil–plant system.

54 ENVIRONMENTAL SCIENCES↗

Research Needs in Electrostatics for Lunar and Mars Space Missions

The new space exploratory vision announced by President Bush on January 14, 2004, initiated new activities at the National Science and Space Administration (NASA) for human space missions to further explore our solar system. NASA is undertaking Lunar exploration to support sustained human and robotic exploration of Mars and beyond. A series of robotic missions to the Moon by 2008 to prepare for human exploration as early as 2015 but no later than 2020 are anticipated. In a similar way, missions to the Moon and Mars are being planned in Europe, Japan and Russia. These space missions will require international participation to solve problems in a number of important technological areas where research is needed, including biomedical risk mitigation as well as life support and habitability on the surface of Mars. Mitigation of dust hazards is one of the most important problems to be resolved for both Lunar and Mars missions. Both Lunar and Martian regolith are unique materials and completely different from the terrestrial soils that we are exposed to on earth. The total absence of water and an atmosphere on the moon and the formation of soil and fine dust by micrometeorite impacts over billions of years resulted in a layer of soil with unique properties. The soil is primarily basaltic in composition with a high glass concentration. The depth of the soil layer varies from a few meters in the mare areas (dark areas on the Lunar near side) to tens of meters in the highland areas (the lighter mountainous areas) and the particle size distribution of this dust layer varies widely with a major mass fraction less than 10 micrometer in diameter. The hard soil from the moon which has been extensively studied by several researchers showed clearly unique properties of Lunar soil. Apollo astronauts became aware of the potentially serious threat to crew health and mission hardware that can be caused by the lunar dust. As reported by McKay and Carrier the mass fraction of the lunar dust with particle diameter smaller than 20p.m probably represents up to 30% of the total mass of regolith. Apollo astronaut Dr. Harrison Schmidt reported that these fine dust particles were clinging to the Extra Vehicular Activity (EVA) suits and to the visors and were limiting the activity on the surface of the moon. The dust particles that were transported with the EVA suits into the lunar module floated throughout the cabin. Crews inhaled the dust particles and noted that they smelled like gun smoke, caused a chocking sensation in the throat and eye irritation. In addition,, some of the mechanical systems were not functioning well because of the dust deposition. It appeared that the dust particles are highly charged electrostatically and Dr. Schmidt noted that future successful Lunar missions will require appropriate dust mitigation technology for protecting astronauts from inhaling toxic particles and mission's life supporting equipment from contamination with the dust particles.

Calle, Carlos I.↗

Akutan Geothermal: Resource Report

Geothermal energy resources are present in the Hot Springs Bay Valley geothermal area, and the City has invested considerable money and time in the exploration of the resource for future use. Exploration activities funded primarily through a grant the City was awarded from Alaska Energy Authority and later supplemented by the U. S. Department of Energy (DOE), with cost share from the City. The exploration led to the development of a geothermal resource conceptual model that was built and refined between 2008 and 2018. During this period, geological and geophysical studies, exploration drilling and other activities were completed, including a preliminary feasibility study for a power project, investigations of the terrain for suitability for access and development, environmental and archeological review, plus TG well abandonment and a review of economic considerations. The model of the resource predicts that there is a viable geothermal resource in two general areas: on the northwest edge of Hot Springs Bay Valley going northwest of the valley (hot springs area) and southwest of the Valley (fumarole area). The resource temperature for the valley area is expected to be about 170°C (340°F) and given the size and permeability estimates (with a factor for the level of confidence in the estimates), the mean power capacity of the outflow resource is 3 MWe and the P50 (most likely) power capacity is 1 MWe. The fumarole area has an expected resource temperature of 240°C (464°F) and given the size and permeability estimates mean capacity is 20 MWe and the P50 (most likely) capacity is 9 MWe. Permeability is the most difficult factor to predict and has a significant impact on the available geothermal fluids and therefore the amount of power that can be generated. The uncertainty in this value is the main reason for lower confidence in the likelihood of exploration success and the wide range in predicted MW values. The permeability has been difficult to locate as indicated by the results of the flow test at AK-3 in 2017. The test resulted in the production of some fluid, but due to low permeability, the recharge to the wellbore was too slow to sustain flow. The greatest probability of overall MWe production is in the fumarole region, but development is hampered by poor accessibility. The extremely high cost of road building for exploratory drilling, put an end to planning at an intermediate stage of the project and refocused attention on the viability of development in the hot spring outflow part of the resource. The City will be determining what the next steps are with AK-3, which is still that is still open and maintained in a suspended status in HSBV. While AK-3 remains accessible (not plugged with cement) it will need to be maintained. The City has a bond with AOGCC that will remain in place until the well is abandoned. GRG recommends that the well be maintained open as an asset for the foreseeable future.

15 GEOTHERMAL ENERGY↗

An Exploratory Statistical Analysis of a Planet Approach-Phase Guidance Scheme Using Angular Measurements with Significant Error

An exploratory analysis of vehicle guidance during the approach to a target planet is presented. The objective of the guidance maneuver is to guide the vehicle to a specific perigee distance with a high degree of accuracy and minimum corrective velocity expenditure. The guidance maneuver is simulated by considering the random sampling of real measurements with significant error and reducing this information to prescribe appropriate corrective action. The instrumentation system assumed includes optical and/or infrared devices to indicate range and a reference angle in the trajectory plane. Statistical results are obtained by Monte-Carlo techniques and are shown as the expectation of guidance accuracy and velocity-increment requirements. Results are nondimensional and applicable to any planet within limits of two-body assumptions. The problem of determining how many corrections to make and when to make them is a consequence of the conflicting requirement of accurate trajectory determination and propulsion. Optimum values were found for a vehicle approaching a planet along a parabolic trajectory with an initial perigee distance of 5 radii and a target perigee of 1.02 radii. In this example measurement errors were less than i minute of arc. Results indicate that four corrections applied in the vicinity of 50, 16, 15, and 1.5 radii, respectively, yield minimum velocity-increment requirements. Thrust devices capable of producing a large variation of velocity-increment size are required. For a vehicle approaching the earth, miss distances within 32 miles are obtained with 90-percent probability. Total velocity increments used in guidance are less than 3300 feet per second with 90-percent probability. It is noted that the above representative results are valid only for the particular guidance scheme hypothesized in this analysis. A parametric study is presented which indicates the effects of measurement error size, initial perigee, and initial energy on the guidance requirements. Measurement error size significantly affects both guidance accuracy and velocity-increment expenditure. The initial trajectory, as given by its perigee and energy, affects the velocity-increment expenditure but not final guidance accuracy.

Friedlander, Alan L.↗

Advances in Rodent Research Missions on the International Space Station

A Research platform for rodent experiment on the ISS is an essential tool for advancing biomedical research in space. The Rodent Research allows for experiments of much longer duration that experiments on the Shuttle. NASA’s Rodent Research (RR)-1 mission was successfully completed, including post-flight analysis and achieved a number of objectives including validation of flight hardware, on-orbit operations, and science capabilities that were developed at the NASA Ames Research Center. Briefly, twenty C57BL/6J adult female mice were launched on the SpX4 Dragon vehicle, which thrived for up to 37 days in microgravity. Daily health checks of the mice were performed during the mission via downlinked video; all animals were healthy and displayed normal behavior without any significant signs of stress. Behavioral analysis demonstrated that Flight and Ground Control mice exhibited the same range of behaviors, including eating, drinking, exploratory behavior, self- and allo-grooming, and social interactions indicative of healthy animals. The animals were euthanized and select tissues were collected from some of the mice on orbit to assess the long-term sample storage capabilities of the ISS. The data obtained from the flight mice were comparable to those from the 3 groups of control mice (baseline, vivarium and ground controls), suggesting that the ISS has adequate capability to support long-duration rodent experimentations. We recovered over 35 tissues from 40 RR1 frozen carcasses, yielded over 3200 aliquots of tissues, and distributed to the scientific community, including NASA’s GeneLab and scientists in the U.S. through Biospecimen Sharing Program via Ames Life Science Data Archive. Tissues were also distributed to Russian research colleagues at the Institute for Biomedical Problems. The expression levels of select genes including albumin, catalase, GAPDH, HMGCoA Reductase, and IGF1 were determined using RNA isolated from the livers by qPCR and no significant differences by one factor ANOVA were found between flight and ground control groups. In addition, some of the liver samples were subject to transcriptomics, epigenomics and proteomics. The data are now available to the scientific community through GeneLab’s open science data website. Since the RR1 mission, another long duration mission (Rodent Research-2) was completed on the ISS in 2015 in which 20 female C57 BL/6J mice were successfully maintained on the ISS for varying time points, with the last group of 5 animals being on-orbit for 54 days. This second Rodent Research flight expanded the program’s capabilities with the introduction of new technologies including blood collection and separation and bone densitometry scanning. Furthermore, we have continued to expand the ISS’s capabilities by running a series of ground-based verification testing using male mice. Our next step is to fly male mice for Rodent Research-4 on SpaceX-10 to study the effects of microgravity on bone healing and regeneration. It will be the first long-duration mission using male mice using Rodent Hardware. In addition, the number of mice will increase from 20 mice (on RR-1 and RR-2) to 40 for RR-4. When samples return to Earth, a number of tissues will be dissected from the frozen carcasses and select tissue samples will become available to the scientific community via BSP. Altogether, we have continued to expand our capabilities for performing long-duration missions on the ISS as emphasized in the National Research Council’s Decadal Survey released in 2011 and to maximize science return from each mission.

Choi, S.↗

Investigation of Non-Nuclear Plowshare and Vela Uniform Sites - 20447

The Plowshare Program was initiated by the Atomic Energy Commission, a predecessor agency to the US Department of Energy (DOE), to investigate peaceful uses of nuclear devices. 'Vela Uniform,' part of the broader Project Vela, was designed to use nuclear and other explosions to increase the capability of the United States to detect nuclear tests through seismicity. There were underground nuclear tests conducted off the Nevada National Security Site (NNSS) as part of the Plowshare Program (e.g., the Gnome-Coach, New Mexico, Site) and the Vela Uniform Program (e.g., Project Shoal, Nevada, Site) at which the DOE Office of Legacy Management (LM) has been conducting long-term surveillance and maintenance since fiscal year (FY) 2006. There are many additional locations, particularly for the Plowshare Program, that were considered for nuclear tests or used for non-nuclear tests off the NNSS. Some were only named on paper, but at 30 sites, field work such as drilling test wells and conducting tests using conventional explosives was done. A Plowshare nuclear explosion had been proposed at Project Chariot but was canceled in 1962. In 1992, the discovery of soils contaminated with radionuclides from tracer experiments led to a cleanup by the DOE Office of Environmental Management (EM) of the Project Chariot, Alaska, Site, which was completed in 1994. Following the cleanup of the Project Chariot site, EM was concerned that there might be environmental liabilities at other Plowshare or Vela Uniform sites where field investigations were done, even if the nuclear test was never conducted. The EM Program at the Nevada Site Office began examining records and visiting selected locations that were evaluated for Plowshare and Vela Uniform non-nuclear tests. In total, 161 Plowshare and 14 Vela Uniform sites or proposed projects were identified. The Desert Research Institute (DRI) created summaries of the work carried out at these sites and developed a collection of unclassified documents for them. Preliminary investigations had been conducted at these sites by both LM and EM since the early 2000's. In 2016, in preparation for accepting responsibility for the sites, LM started a program to determine if there were any environmental or safety liabilities associated with them. In 2019, LM formally accepted responsibility for these sites off the NNSS where non-nuclear explosive tests were conducted or where underground nuclear tests were proposed as part of the Plowshare and Vela Uniform programs but were never conducted. LM responsibilities will include maintaining institutional knowledge of the sites, responding to public inquiries, and addressing any concerns at each site. To minimize risk associated with site management, LM has archived all historical records compiled by DRI and has performed limited investigations at sites identified by the prior studies as having a higher potential liability. Preserving records related to site operations reduces the risk of doing unnecessary site investigations in the future caused by the loss of institutional knowledge. During the investigations, some maintenance needs were identified and will be addressed by the end of FY 2021. At the end of FY 2021, investigations, maintenance, and archiving activities will be complete. Remnants of test activities found at sites include craters, mud pits, debris, and open boreholes. Open boreholes are being plugged and abandoned in accordance with state regulatory standards. Other issues are being addressed in accordance with land owner requests and preferences as well as state regulations. Archiving activities include the development of project summaries identifying key operational details and current condition to allow site managers to be easily briefed. The LM experience at non-nuclear Plowshare and Vela Uniform sites applies to other programs where there is the potential for liability associated with the non-nuclear aspects of nuclear programs. This may include support activities or early phases of planned nuclear projects. Preserving institutional knowledge enables land managers to adequately address any concerns associated with operations and lowers risk. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Measurement of the Neutron Electromagnetic Form Factor Ratio at High Momentum Transfer

The inner structure of the nucleon (proton and neutron) remains a topic of great interest in nuclear and particle physics, after many decades of study. For example, understanding the quark-gluon dynamics inside the nucleon would shed light on how 99% of the nucleon mass is created. The neutron electromagnetic form factors, Gn E and Gn M , give important insights into the neutron structure. The Super BigBite Spectrometer (SBS) program at Jefferson Lab (JLab) seeks to extend the form factor measurements for both the proton and the neutron. The neutron electric form actor, Gn E , has been historically difficult to measure due to the short lifetime of the free neutron and the small value of Gn E . The GEn-II experiment is part of the SBS program and seeks to measure Gn E , significantly increasing the high momentum transfer coverage. A newly designed polarized 3He target increased the figure of merit by three times compared to previous measurements. The analysis of this data is especially challenging due to the unprecedented high-rate environment caused by the open nature of the spectrometer with a direct line of sight to the target. This required developing new Gas Electron Multiplier (GEM) particle trackers which can cover large areas demanded by this setup and handle particle rates up to 500 kHz/cm2. Rates this high over a large area is unprecedented in particle tracking systems and came with a number of challenges. Data taken in the SBS program was critical to understanding hardware and software solutions that improved the track reconstruction efficiency to be >97% with a position resolution of 70 ?m. In previous experiments the proton electromagnetic form factors, Gp E and Gp M were measured up to Q2 = 8.5 GeV2 and Q2 = 30 GeV2, respectively, while Gn E has only been measured up to Q2 = 3.4 GeV2. The GEn-II experiment has measured the neutron form factor ratio, Gn E/Gn M, at Q2 values of 2.90, 6.50, and 9.47 GeV2 by scattering a polarized electron beam with a polarized 3He target, used here as an effective polarized neutron target, and measuring the double spin asymmetry of the cross section. Previous Gn E measurements do not extend above Q2 = 3.4 GeV2, and therefore this analysis has extended the world data by almost three times. The background correction is especially difficult at the higher Q2 settings leading to large systematic errors. As very exploratory results from this early analysis of the data, we find for Q2 = 2.90 GeV2, Gn E = 0.0157 ±stat 0.0016 ±sys 0.0011, for Q2 = 6.50 GeV2, Gn E = 0.0067 ±stat 0.0019 ±sys 0.0005, and for Q2 = 9.46 GeV2, Gn E = 0.0046 ±stat 0.0023 ±sys 0.0005. These results are compared to predictions from the Dyson-Schwinger Equations (DSE) model and a Relativistic Constituent Quark Model (RCQM).

Jeffas, Sean↗

Skyrme pseudopotentials at next-to-next-to-leading order: Construction of local densities and first symmetry-breaking calculations

There is an ongoing quest to improve on the spectroscopic quality of nuclear energy density functionals (EDFs) of the Skyrme type through extensions of its traditional form. One direction for such activities is the inclusion of terms of higher order in gradients in the EDF. We report on exploratory symmetry-breaking calculations performed for an extension of the Skyrme EDF that includes central terms with four gradients at next-to-next-to-leading order (N2LO) and for which the high-quality parametrization SN2LO1 has been constructed recently. Up to now, the investigation of such functionals with higher-order terms was limited to infinite matter and spherically symmetric configurations of singly and doubly magic nuclei. We address here nuclei and phenomena that require us to consider axial and nonaxial deformation, both for reflection-symmetric and also reflection-asymmetric shapes, as well as the breaking of time-reversal invariance. Achieving these calculations demanded a number of formal developments. These all resulted from the formulation of the N2LO EDF requiring the introduction of new local densities with additional gradients that are not present in the EDF at NLO. Their choice is not unique, but can differ in the way the gradients are coupled. While designing a numerical implementation of N2LO EDFs in Cartesian three-dimensional coordinate-space representation, we have developed a novel definition and a new unifying notation for normal and pair densities that contain gradients at arbitrary order. Besides having mnemonic advantages, the new notation allows for the easy identification of redundancies and reducibilities in a given set of local densities, and the new definition makes it straightforward to construct densities that automatically adopt the symmetries of the many-body state they are constructed from. The resulting scheme resolves several issues with some of the choices that have been made for local densities in the past, in particular when breaking time-reversal symmetry. Guided by general practical considerations, we propose an alternative form of the N2LO contribution to the Skyrme EDF that is built from a different set of densities. It has exactly the same physics content, but is much more efficient to handle in formal discussions and, compared to the original formulation, leads to a substantial reduction of computational cost and memory requirements in deformed codes. As representative examples for the performance of SN2LO1, we have chosen the ground states of even-even Kr and Nd isotopes, the fission barrier of 240 Pu as well as the superdeformed rotational band of 194 Hg. Overall, for the nuclei and phenomena studied here, the SN2LO1 parametrization does not yet present a systematic improvement over standard NLO parametrizations. This finding calls for improved fit protocols that better discriminate between NLO and N2LO terms and better exploit the unique features of the additional degrees of freedom offered by the latter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Evaluation of Visual Analytics Environments: The Road to the Visual Analytics Science and Technology Challenge Evaluation Methodology

The evaluation of visual analytics environments was a topic in Illuminating the Path [Thomas 2005] as a critical aspect of moving research into practice. For a thorough understanding of the utility of the systems available, evaluation not only involves assessing the visualizations, interactions or data processing algorithms themselves, but also the complex processes that a tool is meant to support (such as exploratory data analysis and reasoning, communication through visualization, or collaborative data analysis [Lam 2012; Carpendale 2007]). Researchers and practitioners in the field have long identified many of the challenges faced when planning, conducting, and executing an evaluation of a visualization tool or system [Plaisant 2004]. Evaluation is needed to verify that algorithms and software systems work correctly and that they represent improvements over the current infrastructure. Additionally to effectively transfer new software into a working environment, it is necessary to ensure that the software has utility for the end-users and that the software can be incorporated into the end-user’s infrastructure and work practices. Evaluation test beds require datasets, tasks, metrics and evaluation methodologies. As noted in [Thomas 2005] it is difficult and expensive for any one researcher to setup an evaluation test bed so in many cases evaluation is setup for communities of researchers or for various research projects or programs. Examples of successful community evaluations can be found [Chinchor 1993; Voorhees 2007; FRGC 2012]. As visual analytics environments are intended to facilitate the work of human analysts, one aspect of evaluation needs to focus on the utility of the software to the end-user. This requires representative users, representative tasks, and metrics that measure the utility to the end-user. This is even more difficult as now one aspect of the test methodology is access to representative end-users to participate in the evaluation. In many cases the sensitive nature of data and tasks and difficult access to busy analysts puts even more of a burden on researchers to complete this type of evaluation. User-centered design goes beyond evaluation and starts with the user [Beyer 1997, Shneiderman 2009]. Having some knowledge of the type of data, tasks, and work practices helps researchers and developers know the correct paths to pursue in their work. When access to the end-users is problematic at best and impossible at worst, user-centered design becomes difficult. Researchers are unlikely to go to work on the type of problems faced by inaccessible users. Commercial vendors have difficulties evaluating and improving their products when they cannot observe real users working with their products. In well-established fields such as web site design or office software design, user-interface guidelines have been developed based on the results of empirical studies or the experience of experts. Guidelines can speed up the design process and replace some of the need for observation of actual users [heuristics review references]. In 2006 when the visual analytics community was initially getting organized, no such guidelines existed. Therefore, we were faced with the problem of developing an evaluation framework for the field of visual analytics that would provide representative situations and datasets, representative tasks and utility metrics, and finally a test methodology which would include a surrogate for representative users, increase interest in conducting research in the field, and provide sufficient feedback to the researchers so that they could improve their systems.

evaluation↗

The Role of Quantum Science Concepts in Enhancing Sensing and Imaging Technologies: Applications for Biology: Proceedings of a Workshop

Quantum concepts hold the potential to enable significant advances in sensing and imaging technologies that could be vital to the study of biological systems. The workshop Quantum Science Concepts in Enhancing Sensing and Imaging Technologies: Applications for Biology, held online March 8–10, 2021, was organized to examine the research and development needs to advance biological applications of quantum technology. Hosted by the National Academies of Sciences, Engineering, and Medicine, the event brought together experts working on state-of-the-art, quantum-enabled technologies and scientists who are interested in applying these technologies to biological systems. Through talks, panels, and discussions, the workshop facilitated a better understanding of the current and future biological applications of quantum-enabled technologies in fields such as microbiology, molecular biology, cell biology, plant science, mycology, and many others. The workshop was organized around three main themes. The first, quantum in biology, examined quantum concepts that are hypothesized to be important for life processes and that researchers are working to observe through biological imaging and sensing. The second, quantum for biology, addressed ways to use quantum concepts to enhance technologies for biological imaging and sensing. The third, biology for quantum, offered a wider discussion of how the frontiers of biological imaging and sensing could enable future study using quantum concepts, tools, or technologies. Throughout the workshop, participants identified a wide range of emerging approaches and opportunities at the intersection of quantum physics and biological sensing and imaging. During the workshop, there were some differences in how each speaker defined the term quantum. During one of the panels, Prem Kumar offered thoughts on what phenomena are classical versus quantum, explaining that techniques get progressively more quantum as you move from just having superposition to having superposition with measurement and entanglement. Another explanation from Clarice Aiello delineates the definition into several levels. This includes a base level of “quantum-ness,” which reflects that all matter is made of atoms, and when these particles are isolated they behave based on quantum mechanical principles. A second level is related to quantum coherence, where a single quantum object might be found in a coherent superposition state. A final level, which she described as the quantum-entangled level, involves multiple quantum systems which are entangled among themselves. Overall, the workshop touched on concepts such as superposition, entanglement, and squeezing and their potential implications for communication, computing, and simulation, in addition to the workshop’s main focal area, biological sensing and imaging. At the opening of the workshop, Thorsten Ritz of the University of California, Irvine, identified two questions at the heart of quantum biology: Is the machinery of life quantum mechanical, and can quantum mechanics be used to study the machinery of life in new ways? Participants highlighted systems in which researchers have explored these questions, from the vast array of molecular interactions involved in biological processes such as photosynthesis, to the mechanics involved in cellular functions such as differentiation and aggregation, to the role of oscillating magnetic fields in flight orientation among birds. Sensing and imaging technologies are crucial to biological research; these technologies could both enhance the study of quantum effects and be enhanced by quantum concepts. A critical challenge in biological research is to develop imaging and sensing tools that do not damage or interfere with the often fragile and fleeting systems being studied. Attendees discussed a variety of established and emerging technologies that could enhance noninvasive biological imaging, including single- and two-photon spectroscopy, single-molecule spectroscopy, quantum illumination, ghost imaging, and cryo-electron microscopy. One example came from Marlan Scully who gave a keynote address on the first day of the workshop. Scully emphasized the use of different laser technologies, which exhibit coherence and other quantum properties, in moving toward real-world biological applications, such as the detection of SARS-CoV-2. Both tools and theory will play an important role in advancing quantum biology research and applications. Several participants suggested theorists and experimentalists should work in tandem to understand and model biological processes. While physics often reduces systems to their simplest forms for fundamental insights, participants also noted the value of observing and understanding biological systems in all their “messiness,” capturing both the inner workings of biological systems and the complex interactions that occur within and between organisms. In discussions among participants, several attendees stressed the need to match emerging tools with the right scientific questions. Rather than developing quantum technologies as “a hammer looking for a nail,” participants emphasized a focus on exploring the problems these technologies are best suited to address. For example, it is important to consider the size of the phenomenon being studied, the timescales that are important in answering the scientific question, and other relevant considerations. Every tool along the spectrum from classical to quantum involves its own set of trade-offs. For example, Ted Laurence of the Lawrence Livermore National Laboratory said that quantum measurements, such as single photon counting, fluorescence transitions, and lasers, can take longer to produce the same results as classical measurements. These quantum measurements, however, do not require calibration and can enable new research questions to be answered. Prem Kumar, Northwestern University, noted that, despite their promise, quantum approaches should not be used simply for the sake of using quantum, especially in situations where classical approaches better meet the needs of the researcher. Understanding and applying quantum concepts could enable advances in a wide range of application areas including energy, synthetic biology, medicine, and sustainability. For example, Michelle O’Malley, University of California, Santa Barbara, described how improved noninvasive imaging approaches could help capture the complex interactions and functions involved in the breakdown of organic matter by microbial communities and lead to new technologies for capturing valuable products from plant waste. Several other participants discussed needs in tracking the movement of metabolites and molecules in microbial communities for insights into nutrient cycling in environments such as soil. Margaret Ahmad, Sorbonne University, discussed potential opportunities to leverage the magnetic properties of cryptochromes to advance new treatment approaches for diseases such as COVID-19 and cancer. Looking toward the future development of the field, participants discussed challenges to advancing quantum biology that arise from disciplinary disconnects between physicists and biologists. The siloing of academic research disciplines represents a significant barrier to progress. Disconnects in terminology, motivations and priorities, and structural barriers to collaborative work underscore the need for concerted efforts to bridge these divides. Attendees and speakers offered suggestions for resolving these divergences, establishing a shared language, moving the field forward, and fostering meaningful feedback between disciplines. Overall, participants stressed a need for balance, open communication, collaboration, unity, and clear dialogue on trade-offs between quantum and classical approaches. Keiko Torii, The University of Texas at Austin, said that the best collaborations happen when the project provides mutual advantages that can show off everyone’s talents, each team finds the work interesting, and partners develop a camaraderie to pursue new knowledge. To enable near- and long-term opportunities in this space, participants suggested that exploratory, high-risk funding could improve existing instrumentation to explore quantum enhancement collaboratively. They also emphasized the need for collaboration between quantum physicists and sensing/imaging scientists, which could be advanced through a dedicated quantum biology investigator program. People, even more than technology, will be crucial to the future of quantum biology. Participants explored training, education, and workforce needs to further develop this burgeoning field and cultivate the next generation of scientists. While many programs are still in their nascent stages, participants highlighted examples of approaches and programs being developed at various types of institutions to engage students and professional scientists in quantum biology research. Several participants stressed the need for an inclusive approach, spanning disciplines as well as communities to foster a diverse field fueled by the intellectual contributions of a wide range of people, including historically under-resourced schools and students. To increase awareness and excitement about quantum physics and related areas of biology, attendees suggested capitalizing on the “buzz” around quantum. Several participants emphasized the need to start early, introducing students to quantum concepts and their appealing “weirdness” in K–12 education. Engaging students early—before they become entrenched in traditional disciplinary siloes as typically happens in graduate school—could help to galvanize interest in the area and foster a generation of scientists with the interdisciplinary mindset and skills needed to advance this interdisciplinary field. While these efforts could be advanced at many levels and across multiple sectors, several participants suggested a national quantum biology center could be a valuable hub to coordinate and support quantum biology education and workforce development across academia, industry, and government.

59 BASIC BIOLOGICAL SCIENCES↗

Three-Flavor Neutrino Oscillations with MINOS+

This dissertation presents the analysis of the last two years of data from the MINOS+ long-baseline neutrino oscillation experiment. The analysis explores the data above the first oscillation maximum for neutrinos in the standard three-flavor neutrino oscillation model, adding significantly more neutrino events and constraining the model with increased precision. The analysis of the high-energy region of the MINOS+ data set, where previously there has been limited study, can help constrain alternative models or possibly show evidence of new phenomena. The predecessor to MINOS+, the MINOS experiment, measured $\nu_\mu$ disappearance and $\nu_{e}$ appearance using Fermilab's NuMI $\nu_\mu$ beam from 2005 to 2012. During this period the neutrino beam's energy spectrum was focused to peak near the first oscillation maximum. In addition to measuring accelerator beam neutrinos, the MINOS Far Detector collected a sample of atmospheric neutrinos from 2003 to 2011. With the se two samples, MINOS measured the atmospheric mass splitting, $\Delta{m}^2_{32}$, at the 5\% level and the value of $\sin^2\theta_{23}$ at the 15\% level. The data also constrained the CP violating parameter $\delta_{\rm CP}$. The MINOS+ experiment exposed the MINOS detectors to a neutrino beam peaked at energies above the oscillation maximum from 2013 to 2016. With this higher energy neutrino beam, MINOS+ measures the shape of the $\nu_\mu$ survival probability away from the oscillation maximum with unprecedented precision. Measuring the shape of the oscillation probability as a function of neutrino energy is an essential test of the three-flavor oscillation model. At these higher energies where the standard oscillation probability decreases, the neutrino energy spectrum is sensitive to potential perturbations from mixing with additional sterile neutrinos or non-standard neutrino interactions. This analysis of the complete data set from MINOS+ finds no significant deviatio ns from the three-flavor oscillation probability in the ener! gy region of 4 to 10\,GeV covered by the neutrino beam. This provides increased confidence in the three-flavor model in this region and provides new constraints of the atmospheric oscillation parameters, $\Delta{m}^2_{32}$ and $\sin^2\theta_{23}$, by combining the MINOS and MINOS+ data sets. The hierarchy of the neutrino masses is related to the sign of $\Delta{m}^2_{32}$. When $\Delta{m}^2_{32} > 0$, the mass hierarchy is classified as normal. When $\Delta{m}^2_{32} < 0$, the mass hierarchy is classified as inverted. This analysis cannot rule out either of the mass hierarchies. For the normal mass hierarchy, the combined analysis measures $\lvert{\Delta{m}^2_{32}}\rvert = 2.41\pm 0.09 \times 10^{-3}\,{\mathrm{eV}^2}$ at 68\% C.L. and $\sin^2\theta_{23} = 0.42_{-0.06}^{+0.23}$ at 90\% C.L. For the inverted mass hierarchy, this analysis measures $\lvert{\Delta{m}^2_{32}}\rvert = 2.47_{-0.10}^{+0.08} \times 10^{-3}\,{\mathrm{eV}^2}$ at 68\% C.L. and $\sin^2\theta_{23} = 0.42_{ -0.06}^{+0.23}$ at 90\% C.L. In addition to the analysis and measurement of the atmospheric oscillation parameters using MINOS+, this work updates the constraint on $\delta_{\rm CP}$ from MINOS and performs an exploratory combination using $\nu_\mu$ disappearance data from the NOvA experiment. The NOvA experiment uses the NuMI beam in an off-axis strategy that results in a narrow flux of muon neutrinos at the first oscillation maximum and allows precision measurements of the three-flavor parameters. Since NOvA and MINOS+ shared the same neutrino beam, their data can be combined taking advantage of common beam related uncertainties. Combined, the data from the MINOS, MINOS+, and NOvA experiments precisely map $\nu_\mu$ oscillation probabilities using the same neutrino beam in a way that could not be attempted before.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

GeoThermalCloud: Cloud Fusion of Big Data and Multi-Physics Models using Machine Learning for Discovery, Exploration, and Development of Hidden Geothermal Resources

The primary goals of this project are exploring hidden geothermal resources in the U.S.A. and designing profitable enhanced geothermal systems (EGS). Many processes and parameters control geothermal exploration and energy production from geothermal fields. Diverse datasets (e.g., geology, geochemistry, geophysics, satellite, airborne geophysics) are available to help characterize subsurface geothermal conditions. Sparse and multi-scale characteristics of these datasets prohibit properly leveraging these datasets for geothermal exploration and profitable EGS design. Recent advancements in machine learning (ML) promise to resolve these issues. The tremendous challenges and risks of geothermal exploration and production bring the demand for novel ML methods and tools that can (1) analyze large field datasets, (2) assimilate model simulations (large inputs and outputs), (3) process sparse datasets, (4) perform transfer learning (between sites with different exploratory levels), (5) extract hidden geothermal signatures in the field and simulation data, (6) label geothermal resources and processes, (7) identify high-value data acquisition targets, and (8) guide geothermal exploration and production by selecting optimal exploration, production, and drilling strategies. To address these necessities, ML-based geothermal resources exploration and enhanced geothermal systems (EGS) design tools have been developed. The exploration tool is called GeoThermalCloud and EGS design tool is called GeoDT-ML. GeoThermalCloud (https://github.com/SmartTensors/GeoThermalCloud.jl) utilizes a LANL unsupervised ML platform called SmartTensors (https://tensors.lanl.gov/) to automate data analyses and interpretations by extracting hidden signatures to identify geothermal prospects. Also, it enables the identification of critical measurements needed to identify geothermal resource signatures. Alternatively, GeoDT-ML (https://github.com/SmartTensors/GeoThermalCloud.jl/tree/master/EGS) is an ML-based alternative to GeoDT (https://github.com/GeoDesignTool/GeoDT.git), a fast, simplified multi-physics solver to evaluate EGS project designs in uncertain geologic systems. GeoDT-ML leverages recent advances in deep learning and high-performance computing. It is a faster and simpler version of GeoDT. To make this project a success, we used capabilities of LANL, PNNL, Google, Stanford, and Julia Computing. We analyzed eight datasets of the U.S.A. using GeothermalCloud and demonstrated potential highly prospective geothermal resources and identified key factors defining highly prospective sites. The first data set includes 44 locations in southwest New Mexico and 18 geological, hydrogeological, geophysical, geothermal, geochemical attributes. We defined low- and medium-temperature hydrothermal systems and discovered a new highly prospective site. The second data set analyzed 18 shallow water chemistry attributes at 14,342 locations in the Great Basin. It demarcated modestly, moderately, and highly prospective sites including key attributes for each type of prospectivity. The third data set analyzed Utah FORGE data including satellite (InSAR), geophysical (gravity, seismic), geochemical, and geothermal attributes. Here, we performed prospectivity analysis to identify future drilling locations using geological, geochemical, and geophysical attributes. Maps of temperature at depth and heat flow are constructed based on the available data. Prospectivity maps were generated, and drilling locations were proposed for future geothermal field exploration. The fourth data set analyzed 21 attributes at 120 locations in Tularosa Basin, New Mexico; data comes from past play fairway analyses in this region. ML analyses identified geothermal signatures associated with modestly, moderately, and highly hydrothermal systems. We also defined dominant attributes and spatial distribution of the geothermal signatures. The fifth, sixth, seventh, and eighth datasets include Tohatchi Springs, New Mexico, Hawaii, Brady site, Nevada, and EGS Collab, respectively. Moreover, we coupled GeothermalCloud and magnetotellurics data to pinpoint drilling locations for developing geothermal projects in the Tularosa Basin, New Mexico. GeothermalCloud found potential prospective locations for geothermal resources near White Sands Missile Range and McGregor Range at Fort Bliss. Magnetotellurics data determined the potential depth (~1800m) of geothermal prospects at McGregor Range based on apparent resistivity structures/layers in the subsurface. The McGregor Range consists of three resistivity layers and two resistivity structures. Magnetotellurics data also helps identify that the western portion of the McGregor Range has thick and low-resistivity earth materials. The low resistivity to the west is most likely for a fault system. Assuming temperature is consistent with a geothermal reservoir, the west-central part of the McGregor Range has the highest geothermal potential because of the increase in porosity and associated permeability attributed to the interpreted fault system. Also, we devised a coupling strategy between a process model and GeothermalCloud to characterize hydrogeological conditions and geothermal conditions, respectively. The process model characterizes hydrogeological and geothermal conditions on highly prospective geothermal sites provided by GeothermalCloud. We developed a physics-informed neural network (PINN) version of the Burns equation that can be easily coupled with GeothermalCloud. Furthermore, we performed an optimal design decision maximizing the economic value of an EGS power plant. This study optimized the range of well spacing between injection and production wells maximizing net present value in dollars (NPV). For this task, we used the GeoDT to simulate the Utah FORGE EGS development cycle from the initial well design to the end of production. Next, we accomplished another crucial task, which is predicting permeability of geothermal reservoirs. Predicting permeability of geothermal reservoirs is a non-trivial task because of huge computational runtime of simulation and lack of measurements. To avoid these limitations, we used easy-to-measure chemical concentrations in the subsurface as measurement data and convolutional neural network based ML model of a high-fidelity model. Next, we predicted permeability using Markov chain Monte Carlo simulation. We found that Markov chain Monte Carlo simulation predicts permeability with a high certainty if the prediction zone in the simulation area has chemical concentration data. Finally, we analyzed the DOE funded INGENIOUS and GeoDAWN projects data. For discovering hidden geothermal systems in the Great Basin, the INGENIOUS project accumulated old data, collected new data, and released them in 2022. The dataset includes a total of 24 geological, geophysical, and geochemical attributes. Data resolution and scale significantly vary prohibiting an appropriate usage. To avoid such limitations, we brought all data in the same resolution and scale by applying the inverse distance weighting interpolation technique for predicting data in unsampled locations. Subsequently, we analyzed LiDAR data of the GeoDAWN project. We received data in tiles format. The DOE’s overarching goal is to use ML on LiDAR data for finding favorable geological structures (e.g., step up faults in Brady, Nevada). To serve the purpose, we need to label favorable geologic structures that correspond to LiDAR data. We wrote an algorithm to label the LiDAR data with the favorable geologic structures.

15 GEOTHERMAL ENERGY↗