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DOE OSTI2023

Bridging Place-Based Astrobiology Education with Genomics, Including Descriptions of Three Novel Bacterial Species Isolated from Mars Analog Sites of Cultural Relevance

Democratizing genomic data science, including bioinformatics, can diversify the STEM workforce and may, in turn, bring new perspectives into the space sciences. In this respect, the development of education and research programs that bridge genome science with “place” and world-views specific to a given region are valuable for Indigenous students and educators. Through a multi-institutional collaboration, we developed an ongoing education program and model that includes Illumina and Oxford Nanopore sequencing, free bioinformatic platforms, and teacher training workshops to address our research and education goals through a place-based science education lens. High school students and researchers cultivated, sequenced, assembled, and annotated the genomes of 13 bacteria from Mars analog sites with cultural relevance, 10 of which were novel species. Students, teachers, and community members assisted with the discovery of new, potentially chemolithotrophic bacteria relevant to astrobiology. This joint education-research program also led to the discovery of species from Mars analog sites capable of producing N-acyl homoserine lactones, which are quorum-sensing molecules used in bacterial communication. Whole genome sequencing was completed in high school classrooms, and connected students to funded space research, increased research output, and provided culturally relevant, place-based science education, with participants naming three novel species described here. Students at St. Andrew's School (Honolulu, Hawai‘i) proposed the name Bradyrhizobium prioritasuperba for the type strain, BL16A T , of the new species (DSM 112479 T = NCTC 14602 T ). The nonprofit organization Kauluakalana proposed the name Brenneria ulupoensis for the type strain, K61 T , of the new species (DSM 116657 T = LMG = 33184 T ), and Hawai‘i Baptist Academy students proposed the name Paraflavitalea speifideiaquila for the type strain, BL16E T , of the new species (DSM 112478 T = NCTC 14603 T ).

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1980

A comprehensive analytical model of rotorcraft aerodynamics and dynamics. Part 3: Program manual

The computer program for a comprehensive analytical model of rotorcraft aerodynamics and dynamics is described. This analysis is designed to calculate rotor performance, loads, and noise; the helicopter vibration and gust response; the flight dynamics and handling qualities; and the system aeroelastic stability. The analysis is a combination of structural, inertial, and aerodynamic models that is applicable to a wide range of problems and a wide class of vehicles. The analysis is intended for use in the design, testing, and evaluation of rotors and rotorcraft and to be a basis for further development of rotary wing theories.

Johnson, W.↗

NASA NTRS1987

Nonequilibrium radiation during re-entry at 10 km/s

The direct simulation Monte Carlo method, including a real air model with thermal radiation, is applied to the flows associated with the two sets of measurements that are directly relevant to the projected aeroassisted orbital transfer vehicle. The first is a shock tube measurement of the radiation from a 10 km/s shock wave in air that was made at AVCO in 1962. The second is the flight data that was obtained from the Project Fire re-entry test vehicles in 1964. The calculations for both cases were made with a program that models the one-dimensional flow along a stagnation streamline. The shock standoff distance for the Fire vehicle was obtained from the theoretical studies that were associated with its launch. The simulation employed a partly phenomenological model for the nonequilibrium radiation. It was found that the results from the calculation were consistent with the measured radiation in each case, and also with the convective heat transfer data for the Fire vehicle. The uncertainties associated with the spectral absorptance and recombination probability at the surface appear to be as serious as those associated with the reaction rates.

Bird, G. A.↗

NASA NTRS2010

Space Shuttle Probabilistic Risk Assessment (SPRA) Iteration 3.2

The Shuttle is a very reliable vehicle in comparison with other launch systems. Much of the risk posed by Shuttle operations is related to fundamental aspects of the spacecraft design and the environments in which it operates. It is unlikely that significant design improvements can be implemented to address these risks prior to the end of the Shuttle program. The model will continue to be used to identify possible emerging risk drivers and allow management to make risk-informed decisions on future missions. Potential uses of the SPRA in the future include: - Calculate risk impact of various mission contingencies (e.g. late inspection, crew rescue, etc.). - Assessing the risk impact of various trade studies (e.g. flow control valves). - Support risk analysis on mission specific events, such as in flight anomalies. - Serve as a guiding star and data source for future NASA programs.

Boyer, Roger L.↗

DOE OSTI2016

Preliminary Modeling to Support the TREAT Hodoscope System for Fuel Motion Monitoring

Fuel motion is monitored in real time at the Transient Reactor Test Facility (TREAT) using a direct-viewing hodoscope that monitors fast neutrons emitted from test fuel undergoing fission during transients. The hodoscope system is now being refurbished, after over twenty years, to once again support research and development activities examining the survival and failure modes of advanced nuclear reactor fuel systems under accident conditions. An im-portant part of this activity is the development of high-fidelity modeling tools to predict the hodoscope's response to different fuel systems, in different test vehicles, throughout different transient cycles. Initial work has involved the collection of archival data related to how the hodoscope currently at TREAT was manufactured and installed, and the use of this data to create a preliminary radiation transport model using MCNP6. This model is now undergoing refinement to improve its fidelity and to permit its integration with other tools under development to model TREAT transients. The model will be used to study how fast-neutrons measured in the hodoscope's detectors relate to the fission of nuclear material in a test vehicle as a function of location within the vehicle and reactor power. The goal is to develop a time-dependent coupling factor that will relate the measured data to the fuel mass present within each pixel of the hodoscope's field of view. This paper will present the current status of the TREAT hodoscope refurbishment program and modeling activities related to interpreting hodoscope data and inferring fuel motion during transients.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2011

Factors affecting breeding season survival of Red-Headed Woodpeckers in South Carolina.

Red-headed woodpecker (Melanerpes erythrocephalus) populations have declined in the United States and Canada over the past 40 years. However, few demographic studies have been published on the species and none have addressed adult survival. During 2006-2007, we estimated survival probabilities of 80 radio-tagged red-headed woodpeckers during the breeding season in mature loblolly pine (Pinus taeda) forests in South Carolina. We used known-fate models in Program MARK to estimate survival within and between years and to evaluate the effects of foliar cover (number of available cover patches), snag density treatment (high density vs. low density), and sex and age of woodpeckers. Weekly survival probabilities followed a quadratic time trend, being lowest during mid-summer, which coincided with the late nestling and fledgling period. Avian predation, particularly by Cooper's (Accipiter cooperii) and sharp-shinned hawks (A. striatus), accounted for 85% of all mortalities. Our best-supported model estimated an 18-week breeding season survival probability of 0.72 (95% CI = 0.54-0.85) and indicated that the number of cover patches interacted with sex of woodpeckers to affect survival; females with few available cover patches had a lower probability of survival than either males or females with more cover patches. At the median number of cover patches available (n = 6), breeding season survival of females was 0.82 (95% CI = 0.54-0.94) and of males was 0.60 (95% CI = 0.42-0.76). The number of cover patches available to woodpeckers appeared in all 3 of our top models predicting weekly survival, providing further evidence that woodpecker survival was positively associated with availability of cover. Woodpecker survival was not associated with snag density. Our results suggest that protection of {ge}0.7 cover patches per ha during vegetation control activities in mature pine forests will benefit survival of this Partners In Flight Watch List species.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1988

Appendices to the model description document for a computer program for the emulation/simulation of a space station environmental control and life support system

A Model Description Document for the Emulation Simulation Computer Model was already published. The model consisted of a detailed model (emulation) of a SAWD CO2 removal subsystem which operated with much less detailed (simulation) models of a cabin, crew, and condensing and sensible heat exchangers. The purpose was to explore the utility of such an emulation simulation combination in the design, development, and test of a piece of ARS hardware, SAWD. Extensions to this original effort are presented. The first extension is an update of the model to reflect changes in the SAWD control logic which resulted from test. Also, slight changes were also made to the SAWD model to permit restarting and to improve the iteration technique. The second extension is the development of simulation models for more pieces of air and water processing equipment. Models are presented for: EDC, Molecular Sieve, Bosch, Sabatier, a new condensing heat exchanger, SPE, SFWES, Catalytic Oxidizer, and multifiltration. The third extension is to create two system simulations using these models. The first system presented consists of one air and one water processing system. The second consists of a potential air revitalization system.

Yanosy, James L.↗

NASA NTRS1987

Space market model development project

The objectives of the research program, Space Market Model Development Project, (Phase 1) were: (1) to study the need for business information in the commercial development of space; and (2) to propose a design for an information system to meet the identified needs. Three simultaneous research strategies were used in proceeding toward this goal: (1) to describe the space business information which currently exists; (2) to survey government and business representatives on the information they would like to have; and (3) to investigate the feasibility of generating new economical information about the space industry.

Bishop, Peter C.↗

DOE OSTI2023

A parallel hub-and-spoke system for large-scale scenario-based optimization under uncertainty

Practical solution of stochastic programming problems generally requires the use of parallel computing resources. Here, we describe the open source package mpi-sppy, in which efficient and scalable parallelization is a central feature. We report computational experiments that demonstrate the ability to solve very large stochastic programming problems - including mixed-integer variants - in minutes of wall clock time, efficiently leveraging significant parallel computing resources. We report results for the largest publicly available instances of stochastic mixed-integer unit commitment problems, solving to provably tight optimality gaps. In addition, we introduce a novel software architecture that facilitates combinations of methods for accelerating convergence that can be combined in plug-and-play manner. Finally, the mpi-sppy package is written in Python, leverages the widely used Pyomo (http://www.pyomo.org) library for modeling mathematical programs, builds on existing MPI implementations to ensure efficiency and scalability, and is available via http://github.com/Pyomo/mpi-sppy.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Clouds, Aerosol, and Precipitation in the Marine Boundary Layer (CAP-MBL) Final Campaign Report

The extensive coverage of low clouds over the subtropical eastern oceans greatly impacts the current climate. In addition, the response of low clouds to changes in atmospheric greenhouse gases and aerosols is a major source of uncertainty, which thwarts accurate prediction of future climate change. Low clouds are poorly simulated in climate models, partly due to inadequate long-term simultaneous observations of their macrophysical and microphysical structure, radiative effects, and associated aerosol distribution in regions where their impact is greatest. The thickness and extent of subtropical low clouds is dependent on tight couplings between surface fluxes of heat and moisture, radiative cooling, boundary layer turbulence, and precipitation (much of which evaporates before reaching the ocean surface and is closely connected to the abundance of cloud condensation nuclei). These couplings have been documented as a result of past field programs and model studies. However, extensive research is still required to achieve a quantitative understanding sufficient for developing parameterizations, which adequately predict aerosol indirect effects and low cloud response to climate perturbations. This is especially true of the interactions between clouds, aerosol, and precipitation. These processes take place in an ever-changing synoptic environment that can confound interpretation of short time period observations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Design of Multi-Stage Solvent Extraction Process for Separation of Rare Earth Elements

Flowsheet design and stage determination for the separation of rare earth elements (REEs) using solvent extraction (SX) is a challenging task because of the chemical similarity of the REEs. Low separation factors between the elements and complex equilibrium chemistry provide unique challenges to designing an efficient flowsheet for the separation of elements. The multi-stage nature of the SX process adds further complexity, making the assessment of products for a proposed design and stage combination difficult. Therefore, to develop a SX flowsheet, it is essential to quantify the performance for various design and separation conditions. This paper attempts to address the challenge by utilizing an equilibrium and process modeling approach. Results from a bench-scale study performed on a 10 g/L rare earth salt mixture were used in studying the extraction/stripping behavior and developing equilibrium models. DEHPA with TBP as a phase modifier was used as an extractant, while hydrochloric acid was utilized as a stripping agent. The results obtained were used in developing extraction/stripping models, which were integrated into a process framework of a SX train in a Matlab/Simulink environment. The models were programmed as a function block routine and used for developing a flowsheet, which was simulated for differing separation and design conditions. To identify optimum stage combinations, a particle swarm optimization (PSO) routine was developed and implemented for each SX train. Recovery and purity of elements of interest were used as objective function criteria. The stage combination leading to the minimization of the objective function was used to identify the optimum stage combination for a series of SX trains to attempt a balance of purity and recovery. The models and optimization method were implemented to separate a feed mixture containing REEs, which indicated that 99.52 and 85.41 percent purity is achievable for Yttrium and Lanthanum separation using 8-12-3 and 10-3-5 stage combination for loading, scrubbing, and striping. The model also indicated difficult separability between neodymium, praseodymium, and cerium.

Srivastava, Vaibhav (ORCID:0000000212645987)↗

NASA NTRS1995

GRO: Black hole models for gamma-ray bursts

The Burst and Transient Source Experiment (BATSE) on board the Compton Gamma Ray Observatory (CGRO) has established that the distribution of gamma-ray bursts (GRB's) is isotropic but is bound radially. This finding suggests that the bursts are either cosmological or they originate from an extended Galactic halo. The implied luminosities and the observed variability of the GRB's on time scales as short as one millisecond suggest that they originate from compact objects. We are presently studying black hole models for GRB's. Any such model must produce a non-thermal photon spectrum to agree with the observed properties. For a wide range of burst parameters the assumed bursting source consists of a non-thermal electron-positron-photon plasma of very high density. It seems possible to produce such a plasma in accretion onto black holes. In our on-going work, we are developing the kinetic theory for a non-equilibrium pair plasma. The main new features of our work are as follows: (1) We do not assume the presence of a thermal electron bath. (2) Non-thermal, high-energy pairs are allowed to have an arbitrary concentration and energy distribution. (3) There is no soft photon source in our model; initially all the photons in the plasma are either energetic X-rays or gamma-rays. (4) The initial energy distribution of the pairs as well as photons is arbitrary. (5) We collect the analytical expressions for the kinetic kernels for all relevant processes. And (6) we present a different approach to finding the time-evolution of pair and photon spectra, which is a combination of the kinetic-theory and the non-linear Monte-Carlo schemes. We have developed many Monte-Carlo programs to model various process, to take into account the time evolution, and to incorporate various physical effects which are unique to non-thermal plasmas. The hydrodynamics of fireballs in GRB's was studied before. Applying results from kinetic theory will improve our understanding of these systems.

Ruderman, Malvin↗

DOE OSTI2012

Geochemical Modeling of F Area Seepage Basin Composition and Variability

From the 1950s through 1989, the F Area Seepage Basins at the Savannah River Site (SRS) received low level radioactive wastes resulting from processing nuclear materials. Discharges of process wastes to the F Area Seepage Basins followed by subsequent mixing processes within the basins and eventual infiltration into the subsurface resulted in contamination of the underlying vadose zone and downgradient groundwater. For simulating contaminant behavior and subsurface transport, a quantitative understanding of the interrelated discharge-mixing-infiltration system along with the resulting chemistry of fluids entering the subsurface is needed. An example of this need emerged as the F Area Seepage Basins was selected as a key case study demonstration site for the Advanced Simulation Capability for Environmental Management (ASCEM) Program. This modeling evaluation explored the importance of the wide variability in bulk wastewater chemistry as it propagated through the basins. The results are intended to generally improve and refine the conceptualization of infiltration of chemical wastes from seepage basins receiving variable waste streams and to specifically support the ASCEM case study model for the F Area Seepage Basins. Specific goals of this work included: (1) develop a technically-based 'charge-balanced' nominal source term chemistry for water infiltrating into the subsurface during basin operations, (2) estimate the nature of short term and long term variability in infiltrating water to support scenario development for uncertainty quantification (i.e., UQ analysis), (3) identify key geochemical factors that control overall basin water chemistry and the projected variability/stability, and (4) link wastewater chemistry to the subsurface based on monitoring well data. Results from this study provide data and understanding that can be used in further modeling efforts of the F Area groundwater plume. As identified in this study, key geochemical factors affecting basin chemistry and variability included: (1) the nature or chemistry of the waste streams, (2) the open system of the basins, and (3) duration of discharge of the waste stream types. Mixing models of the archetype waste streams indicated that the overall basin system would likely remain acidic much of the time. Only an extended periods of predominantly alkaline waste discharge (e.g., >70% alkaline waste) would dramatically alter the average pH of wastewater entering the basins. Short term and long term variability were evaluated by performing multiple stepwise modeling runs to calculate the oscillation of bulk chemistry in the basins in response to short term variations in waste stream chemistry. Short term (1/2 month and 1 month) oscillations in the waste stream types only affected the chemistry in Basin 1; little variation was observed in Basin 2 and 3. As the largest basin, Basin 3 is considered the primary source to the groundwater. Modeling showed that the fluctuation in chemistry of the waste streams is not directly representative of the source term to the groundwater (i.e. Basin 3). The sequence of receiving basins and the large volume of water in Basin 3 'smooth' or nullify the short term variability in waste stream composition. As part of this study, a technically-based 'charge-balanced' nominal source term chemistry was developed for Basin 3 for a narrow range of pH (2.7 to 3.4). An example is also provided of how these data could be used to quantify uncertainty over the long term variations in waste stream chemistry and hence, Basin 3 chemistry.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

A Pareto analysis approach to assess relevant marginal CO{sub 2} footprint for petroleum products

Recently, linear programing (LP) models have been extended to track the marginal CO{sub 2} intensity of automotive fuels at the refinery gate. The obtained CO{sub 2} data are recommended for policy making because they capture the economic and environmental tensions as well as the processing effects related to oil products. However, they are proven to be extremely sensitive to small perturbations and therefore useless in practice. In this paper, we first investigate the theoretical reasons of this drawback. Then, we develop a multiple objective LP framework to assess relevant marginal CO{sub 2} footprints that preserve both defensibility and stability at a satisfactory level of acceptance. A case study illustrates this new methodology. - Highlights: • Refining LP models have limitations to provide useful marginal CO{sub 2} footprints. • A multi objective optimization framework is developed to assess relevant CO{sub 2} data. • Within a European Refinig industry, diesel is more CO{sub 2} intensive than gasoline.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Multi-Time Step Service Restoration for Advanced Distribution Systems and Microgrids

Modern power systems are facing increased risk of disasters that can cause extended outages. The presence of remote control switches (RCSs), distributed generators (DGs), and energy storage systems (ESS) provides both challenges and opportunities for developing post-fault service restoration methodologies. Inter-temporal constraints of DGs, ESS, and loads under cold load pickup (CLPU) conditions impose extra complexity on problem formulation and solution. In this paper, a multi-time step service restoration methodology is proposed to optimally generate a sequence of control actions for controllable switches, ESSs, and dispatchable DGs to assist the system operator with decision making. The restoration sequence is determined to minimize the unserved customers by energizing the system step by step without violating operational constraints at each time step. The proposed methodology is formulated as a mixed-integer linear programming (MILP) model and can adapt to various operation conditions. Furthermore, the proposed method is validated through several case studies that are performed on modified IEEE 13-node and IEEE 123-node test feeders.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1972

Experiments with program locality.

Attempt to validate experimentally several intrinsic models for the concept of program locality. The models considered are a two-parameter simple locality model, a simple least recently used stack model, and an independent reference model. The first two models appear to produce good approximations to real world behavior, while the independent reference model, because of its static concept of locality, does very poorly. The working set is shown to be a good estimator of the simple two-parameters model's locality, provided that the locality does not change too rapidly. The working set exactly measures the locality in the case of the least recently used stack model and is thus nearly optimal for programs whose behavior can be closely approximated by this model.

Spirn, J. R.↗

NASA NTRS1989

Methodology for analysis and simulation of large multidisciplinary problems

The Integrated Structural Modeling (ISM) program is being developed for the Air Force Weapons Laboratory and will be available for Air Force work. Its goal is to provide a design, analysis, and simulation tool intended primarily for directed energy weapons (DEW), kinetic energy weapons (KEW), and surveillance applications. The code is designed to run on DEC (VMS and UNIX), IRIS, Alliant, and Cray hosts. Several technical disciplines are included in ISM, namely structures, controls, optics, thermal, and dynamics. Four topics from the broad ISM goal are discussed. The first is project configuration management and includes two major areas: the software and database arrangement and the system model control. The second is interdisciplinary data transfer and refers to exchange of data between various disciplines such as structures and thermal. Third is a discussion of the integration of component models into one system model, i.e., multiple discipline model synthesis. Last is a presentation of work on a distributed processing computing environment.

Russell, William C.↗

DOE OSTI2020

Nek5000 developments in support of industry and the NRC

This year, the Nuclear Energy Advanced Modeling Simulation program (NEAMS) thermal-hydraulics verification and validation (V&V) work has focused in three areas of Nek5000 V&V-driven development. First, in a close collaborative effort with the U. S. Nuclear Regulatory Commission (NRC) staff, we have continued V&V efforts for the HYMERES-2 project using the OECD/NEA sponsored testing in the PSI PANDA facility. This year’s focus of ANL-NRC collaboration involves Nek5000 setups and validation for a range of problems relevant to and including the HYMERES-2 benchmark from PSI. The primary outcome of this year efforts is a more efficient geometry and inlet modeling simplification after a careful sensitivity study of the inlet profiles and pipe geometries. The resulting modeling choice of a short recycling/fully-developed turbulent inlet is within the experimental uncertainty estimate. This finding simplifies the next step of the cross-V&V HYMERES-2 project. In addition, the ANL team continue to provide assistance to the NRC staff in the form of Nek5000 application support in general and on the use of the HPC platforms of ALCF and INL in particular. This supports the NRC’s assessment of Nek5000 for use with the NRC Blue CRAB code suite. Second, we have implemented and tested more robust model of URANS, namely the k – τ model, a variant of the k-ω model, along with other improvements to RANS Nek5000 modeling in general. Because of its demonstrated robustness and stability, the k – τ model is the only RANS model that has been implemented in the new GPU version of the Nek5000 code, nekRS. Lastly, we report the initial implementation of Jacobian-free Newton Krylov approach to the direct Newton method for steady fluid solvers aimed at acceleration of RANS modeling and at IC improvement for LES campaigns. Also leveraging the Exascale Computing Project (ECP) ANL/CEED & SMR team’s software development effort to support NEAMS problems at large scale of the advanced computing architectures, NekRS, a GPU variant of Nek5000, built on top of kernels from libParanumal using OCCA for portability, has been successfully run on the full system of Summit (4608 nodes, 27648 GPUs).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗