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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Onboard Processor for Compressing HSI Data

With EO-1 Hyperion and MightySat in orbit NASA and the DoD are showing their continued commitment to hyperspectral imaging (HSI). As HSI sensor technology continues to mature, the ever-increasing amounts of sensor data generated will result in a need for more cost effective communication and data handling systems. Lockheed Martin, with considerable experience in spacecraft design and developing special purpose onboard processors, has teamed with Applied Signal & Image Technology (ASIT), who has an extensive heritage in HSI, to develop a real-time and intelligent onboard processing (OBP) system to reduce HSI sensor downlink requirements. Our goal is to reduce the downlink requirement by a factor greater than 100, while retaining the necessary spectral fidelity of the sensor data needed to satisfy the many science, military, and intelligence goals of these systems. Our initial spectral compression experiments leverage commercial-off-the-shelf (COTS) spectral exploitation algorithms for segmentation, material identification and spectral compression that ASIT has developed. ASIT will also support the modification and integration of this COTS software into the OBP. Other commercially available COTS software for spatial compression will also be employed as part of the overall compression processing sequence. Over the next year elements of a high-performance reconfigurable OBP will be developed to implement proven preprocessing steps that distill the HSI data stream in both spectral and spatial dimensions. The system will intelligently reduce the volume of data that must be stored, transmitted to the ground, and processed while minimizing the loss of information.

Cook, Sid↗
NASA NTRS2024

Exploration Extravehicular Mobility Unit (xEMU) Chamber B Thermal Vacuum “Suit 2” Pressure Garment System Hardware and Test Design

NASA’s Exploration Extravehicular Mobility Unit (xEMU) is the government reference next-generation space suit design and is engineered to protect astronauts from extreme lunar environmental temperatures. To evaluate the xEMU hardware thermal requirements, the xEMU Testing Team invented, designed, and executed a dual-suit, uncrewed thermal vacuum (TVAC) test at Johnson Space Center’s (JSC) Chamber B. This paper details the test hardware design and test methodology for the “Suit 2” Pressure Garment System (PGS) test article. The uncrewed “Suit 2” PGS test article consisted of a full PGS assembly with simulated Portable Life Support System (PLSS) functionality provided by test equipment, including a ventilation loop and two distinct thermal control loops. This paper will discuss in depth the test hardware design, including internal suit thermal boundary simulation, sensor quantity and placement, test support equipment rigs for gas flow, water flow, and power. Custom hardware designed to add additional penetrations to the suit or provide additional interfaces for sensors will also be discussed. This paper will also address the assembly and integration sequence for the test article. In addition to test hardware design, this paper will provide insights into the test methodology for this test article, including a discussion of thermal steady-state testing, simultaneous dual suit thermal vacuum testing, and hazard mitigation and controls.

xEMU↗
NASA NTRS1998

NGST: Exploring the Fossil Record of Galaxy Formation

During this grant period the investigator has accomplished the following: developed and researched the science case for high resolution optical imaging with NGST (Next Generation Space Telescope); presented to the ASWG (Ad-Hoc Science Working Group) on the use of NGST to image and measure the proper motions of white dwarf stars that could account for the MACHO events toward the LMC (Large Magellanic Cloud); wrote proposals for the Design Reference Mission. Three proposals have been written on the following topics: Measuring the faint end of the white dwarf luminosity function to get an independent measure of the age of the oldest stars, measurement of the stellar luminosity function over the full range of age, abundance, and population type, and deep imaging of Local Group halos to measure the relative ages of the oldest stars in the Milky Way and other galaxies; he has introduced simulations of crowded field stellar photometry on a hypothetical population in the M31 halo. Using a physically correct luminosity function and a surface brightness of 24.5 mag/sq. arcsec, NGST imaging in 10 hours easily measures the turnoff and reaches 3 mags down the main sequence in the halo of M31; and has delivered talks at the NGST workshop in Liege, and at the meeting in Paris entitled "Connecting the Distant Universe with the Local Fossil Record".

Rich, R. Michael↗
DOE OSTI2022

Photometric redshifts from SDSS images with an interpretable deep capsule network

ABSTRACT Studies of cosmology, galaxy evolution, and astronomical transients with current and next-generation wide-field imaging surveys like the Rubin Observatory Legacy Survey of Space and Time are all critically dependent on estimates of photometric redshifts. Capsule networks are a new type of neural network architecture that is better suited for identifying morphological features of the input images than traditional convolutional neural networks. We use a deep capsule network trained on ugriz images, spectroscopic redshifts, and Galaxy Zoo spiral/elliptical classifications of ∼400 000 Sloan Digital Sky Survey galaxies to do photometric redshift estimation. We achieve a photometric redshift prediction accuracy and a fraction of catastrophic outliers that are comparable to or better than current methods for SDSS main galaxy sample-like data sets (r ≤ 17.8 and zspec ≤ 0.4) while requiring less data and fewer trainable parameters. Furthermore, the decision-making of our capsule network is much more easily interpretable as capsules act as a low-dimensional encoding of the image. When the capsules are projected on a two-dimensional manifold, they form a single redshift sequence with the fraction of spirals in a region exhibiting a gradient roughly perpendicular to the redshift sequence. We perturb encodings of real galaxy images in this low-dimensional space to create synthetic galaxy images that demonstrate the image properties (e.g. size, orientation, and surface brightness) encoded by each dimension. We also measure correlations between galaxy properties (e.g. magnitudes, colours, and stellar mass) and each capsule dimension. We publicly release our code, estimated redshifts, and additional catalogues at https://biprateep.github.io/encapZulate-1.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2003

Non-Genomic Origins of Proteins and Metabolism

It is proposed that evolution of inanimate matter to cells endowed with a nucleic acid- based coding of genetic information was preceded by an evolutionary phase, in which peptides not coded by nucleic acids were able to self-organize into networks capable of evolution towards increasing metabolic complexity. Recent findings that truly different, simple peptides (Keefe and Szostak, 2001) can perform the same function (such as ATP binding) provide experimental support for this mechanism of early protobiological evolution. The central concept underlying this mechanism is that the reproduction of cellular functions alone was sufficient for self-maintenance of protocells, and that self- replication of macromolecules was not required at this stage of evolution. The precise transfer of information between successive generations of the earliest protocells was unnecessary and, possibly, undesirable. The key requirement in the initial stage of protocellular evolution was an ability to rapidly explore a large number of protein sequences in order to discover a set of molecules capable of supporting self- maintenance and growth of protocells. Undoubtedly, the essential protocellular functions were carried out by molecules not nearly as efficient or as specific as contemporary proteins. Many, potentially unrelated sequences could have performed each of these functions at an evolutionarily acceptable level. As evolution progressed, however proteins must have performed their functions with increasing efficiency and specificity. This, in turn, put additional constraints on protein sequences and the fraction of proteins capable of performing their functions at the required level decreased. At some point, the likelihood of generating a sufficiently efficient set of proteins through a non-coded synthesis was so small that further evolution was not possible without storing information about the sequences of these proteins. Beyond this point, further evolution required coupling between proteins and informational polymers that is characteristic to all known forms of life. The emergence of such coupling must be postulated in any scenario of the origin of life, no matter whether it starts with RNA or proteins. To examine the evolutionary potential of non-genomic systems, a simple, computationally tractable model, which is still capable of capturing the essential features of the real system, has been studied computationally. Both constructive and destructive processes have been introduced into the model in a stochastic manner. Instead of assuming random reaction sets, only a suite of protobiologically plausible reactions has been considered. Peptides have been explicitly considered as protoenzymes and their catalytic efficiencies have been assigned on the basis of biochemical principles and experimental estimates. Simulations have been carried out using a novel approach (The Next Reaction Method) that is appropriate even for very low concentrations of reactants. Studies have focused on global autocatalytic processes and their diversity.

Pohorille, Andrew↗
NASA NTRSDate not supplied

Development and Application of Weld Track Thermal Analysis for the Exploration Extravehicular Mobility Unit

NASA is studying the next generation of space suit for safe operations in space, from the International Space Station to the lunar surface as part of the Exploration Extravehicular Mobility Unit project. The backplate structure of the portable life support system (PLSS) serves as the attachment point for assembly of the PLSS and contains embedded cooling channels. The thermal loop plumbing assembly and backplate are combined into a single component such that the fluid lines run through the midplane of the backplate. The manufacturing of the Ti-6Al-4V backplate consists of machining channels into a plate, welding cover plates on each channel using an electron beam, and additional machining for excess material removal and final detail. Careful control of the electron beam weld process is necessary to completely seal cover plates, produce consistent weld tracks, and produce channels with uniform cross sections free of debris and defects. The backplate contains multiple weld channels with unique geometries. The weld process parameters include choosing the beam current and focus, accelerating voltage, travel speed, pause times between weld tracks, and sequence of weld tracks. A transient finite element thermal analysis was developed to provide support for choosing and controlling the weld process parameters to maintain a consistent melt pool along each of the weld tracks. A moving distributed heat source is modeled to represent the heat input generated by the electron beam. The heat source model is a critical input to the analysis for accurate temperature predictions during the weld process. A modified conical heat source was developed to account for the change in working distance between the backplate and cover plates. The geometry of the material being welded must be accounted for by the heat source model to define the correct energy input. The weld process control is designed according to the predicted thermal history and melt pool dimensions for each of the weld channels. The analysis model, modified heat source, temperature and melt pool predictions, application of the thermal data to the weld parameters, and comparison with micrograph cross-sections from weld trials will be discussed in this presentation.

Electron Beam Welding↗
DOE OSTI2024

A machine-learning-aided data recovery approach for predicting multi-material thermal behaviors in advanced test reactor capsules

Instrumented experiments conducted at test reactors are essential to the deployment of new advanced reactor systems. Designing new experiments and generating data on specific reactor conditions require significant investments in terms of both time and cost. Finite element analysis software can be used to create high-fidelity models of experiment environments in order to support the actual experiments, but computation time remains a concern in terms of applying outcomes to real-time usage of data (e.g., a digital twin [DT]). Here, the present research proposes a machine-learning (ML) aided approach to making temperature and displacement predictions based on the thickness of the outer gas gap on the experimental capsule used for in-pile demonstration of a novel new thermal conductivity probe in the Advanced Test Reactor (ATR). This capsule consisted of U10Zr fuel, a rodlet, sodium, and inner and outer capsules. Gas gaps existed between the fuel and the rodlet, and between the inner and the outer capsule. The learning data pertained to an experimental capsule's radial distributions of temperature and displacement, as obtained based on Abaqus and the physical features. For the first step of ML sequence, the temperature was predicted using three positional parameters. Next, the displacement was predicted using seven additional parameters. Each physical feature was normalized in order to be both nondimensional and standardized. The temperature and displacement predictions showed good agreement with the simulation results in all cases involving interpolation and extrapolation. Furthermore, data similarity enhancement increased the similarity between the training and the target data, thereby increasing the predictive accuracy of the ML models. In certain extrapolation cases involving limited original ML model accuracy, data similarity enhancement and data recovery was able to somewhat improve this accuracy.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Replace Human Intelligence with Fast and Smart Geometric Reasoning and Graph Neural Network to Accelerate Next Gen ModSim Workflows

We present an agent-guided approach to CAD geometry decomposition that automates hex/hybrid meshing with graph neural networks (GNNs) to accelerate next-generation ModSim workflows. Our end-to-end pipeline (i) reduces 3D boundary-representation (B-Rep) models to a 2D chordal axis skeleton (CAT) and then to a 1D bipartite graph of surface and curve nodes, (ii) assigns per node labels as Cubit® WebCut actions, (iii) trains a multi-action GNN under supervised learning, and (iv) predicts five surface-node and three curve-node actions on out-of-distribution test geometries. Each graph node carries geometric, topological, and meshing attributes drawn from the B-Rep “skin” and CAT “skeleton,” with two-way mappings across 3D↔2D↔1D representations to maintain traceability back to 3D CAD. The supervised learning model exhibits stable convergence of the binary cross-entropy loss and achieves 98.7% accuracy on unseen lattice models. To operationalize decision-making, we rank predicted commands by geometric significance and prototyped the agent-guided workflow through the Cubit® Meshing PowerTool GUI. As a stretch goal, we explore reinforcement learning (RL) to reduce or remove label requirements and to learn policies for action sequences that maximize total reward (e.g., size of hex-meshable regions and resulting hex mesh quality). When all-hex meshing is not feasible, the agent assists in producing hybrid meshes—prioritizing hex in critical regions and transitioning to tetrahedral elements (tets) elsewhere—maintaining fidelity while ensuring robustness. The overarching objective is to replace manual, heuristics-based decomposition with data-driven, reproducible automation, cutting meshing turnaround time by orders of magnitude. We anticipate direct impact on simulation workflows through intelligent, scalable decomposition of complex CAD models into hex-meshable subdomains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Closing the Loop between In Situ Stress Complexity and EGS Fracture Complexity

We present an agent-guided approach to CAD geometry decomposition that automates hex/hybrid meshing with graph neural networks (GNNs) to accelerate next-generation ModSim workflows. Our end-to-end pipeline (i) reduces 3D boundary-representation (B-Rep) models to a 2D chordal axis skeleton (CAT) and then to a 1D bipartite graph of surface and curve nodes, (ii) assigns per node labels as Cubit® WebCut actions, (iii) trains a multi-action GNN under supervised learning, and (iv) predicts five surface-node and three curve-node actions on out-of-distribution test geometries. Each graph node carries geometric, topological, and meshing attributes drawn from the B-Rep “skin” and CAT “skeleton,” with two-way mappings across 3D↔2D↔1D representations to maintain traceability back to 3D CAD. The supervised learning model exhibits stable convergence of the binary cross-entropy loss and achieves 98.7% accuracy on unseen lattice models. To operationalize decision-making, we rank predicted commands by geometric significance and prototyped the agent-guided workflow through the Cubit® Meshing PowerTool GUI. As a stretch goal, we explore reinforcement learning (RL) to reduce or remove label requirements and to learn policies for action sequences that maximize total reward (e.g., size of hex-meshable regions and resulting hex mesh quality). When all-hex meshing is not feasible, the agent assists in producing hybrid meshes—prioritizing hex in critical regions and transitioning to tetrahedral elements (tets) elsewhere—maintaining fidelity while ensuring robustness. The overarching objective is to replace manual, heuristics-based decomposition with data-driven, reproducible automation, cutting meshing turnaround time by orders of magnitude. We anticipate direct impact on simulation workflows through intelligent, scalable decomposition of complex CAD models into hex-meshable subdomains.

42 ENGINEERING↗
DOE OSTI2023

Economic and operational investigation of CO 2 sequestration through enhanced oil recovery in unconventional reservoirs in Colorado, USA

The ongoing CCUS commercial projects are highly relied on the support of government incentives due to massive capital investment. Here, this study analyzes the economics of carbon capture utilization and sequestration (CCUS) projects, shows a state-wide CCUS deployment exercise, followed by simulation results of enhanced oil recovery (EOR) based CO 2 storage in unconventional reservoirs. The comprehensive economic analysis of capture, transportation, sequestration costs, enhanced 45Q tax credits, and EOR revenue implies the practicality of CO 2 -EOR to offset the high CCUS costs. With the economics understanding, we study the top CO 2 sources, existing CO 2 pipelines, and sequestration sinks in the state of Colorado, USA. This paper next presents results from EOR simulation in one section of the unconventional Denver-Julesburg (DJ) Basin Niobrara and Codell reservoirs. The simulation model is based on a geological static model, incorporated with hydraulic fracture stimulation, history matched to production, and calibrated to the microseismic and time-lapse surface seismic data. The CO 2 -EOR simulation results show that oil production can be increased and more CO 2 stored with: a longer primary production period; the presence of a shut-in period; higher injection rates; and multi-well injectors. The modeling results show that about 7–10 Mscf of CO 2 will be stored when recovering 1 stb of EOR oil. By adding the enhanced oil revenue and the carbon credits together, it is estimated that the most economic case can generate $\$13$ MM when oil price is assumed to be $\$80$/stb, and the EOR oil revenue is 3.4 times greater than that generated from 45Q incentives. It corresponds to the scenario that a five-year primary production is followed by CO 2 injection into four wells with the sequence of injection (4 MMscf/day for 6 months), shut-in (6 months) and production (12 months). The best practices in this study will provide valuable insights for similar CCUS projects in other unconventional fields. Furthermore, this study defines a term named “Carbon Neutrality Index (CNI)” by comparing the amount of CO 2 stored with that burned by EOR oil. The CNI value of 0 indicates the enhanced oil is carbon neutral; a negative CNI value implies there is a net reduction in carbon emission. The 4-year huff-n-puff (HnP) simulation leads to a positive CNI value, indicating that the EOR oil generated in this process is not carbon neutral yet.

03 NATURAL GAS↗
NASA NTRS1997

When Gravity Fails: Local Search Topology

Local search algorithms for combinatorial search problems frequently encounter a sequence of states in which it is impossible to improve the value of the objective function; moves through these regions, called {\em plateau moves), dominate the time spent in local search. We analyze and characterize {\em plateaus) for three different classes of randomly generated Boolean Satisfiability problems. We identify several interesting features of plateaus that impact the performance of local search algorithms. We show that local minima tend to be small but occasionally may be very large. We also show that local minima can be escaped without unsatisfying a large number of clauses, but that systematically searching for an escape route may be computationally expensive if the local minimum is large. We show that plateaus with exits, called benches, tend to be much larger than minima, and that some benches have very few exit states which local search can use to escape. We show that the solutions (i.e. global minima) of randomly generated problem instances form clusters, which behave similarly to local minima. We revisit several enhancements of local search algorithms and explain their performance in light of our results. Finally we discuss strategies for creating the next generation of local search algorithms.

Frank, Jeremy↗
DOE OSTI2021

Searching for Low-mass Population III Stars Disguised as White Dwarfs

It is uncertain whether or not low-mass Population III stars ever existed. While limits on the number density of Population III stars with M {sub *} ≈ 0.8 M {sub ⊙} have been derived, using Sloan Digital Sky Survey (SDSS) data, little is known about the occurrence of Population III stars at lower masses. In the absence of reliable parallaxes, the spectra of metal-poor main-sequence (MPMS) stars with M {sub *} ≲ 0.8 M {sub ⊙} can easily be confused with those of cool white dwarfs. To resolve this ambiguity, in this paper we present a classifier that differentiates between MPMS stars and white dwarfs, based on photometry and/or spectroscopy without the use of parallax information. We build and train our classifier using state-of-the-art theoretical spectra, and evaluate it on existing SDSS-based classifications for objects with reliable Gaia DR2 parallaxes. We then apply our classifier to a large catalog of objects with SDSS photometry and spectroscopy to search for MPMS candidates. We discover several previously unknown, extremely metal-poor (EMP) candidate stars, and recover numerous confirmed EMP stars already noted in the literature. We conclude that archival SDSS spectroscopy has already been exhaustively searched for EMP stars. We predict that the lowest-mass stars of primordial composition will have redder optical-to-infrared colors than cool white dwarfs at constant effective temperature, due to surface gravity-dependent collision-induced absorption from molecular hydrogen. We suggest that the application of our classifier to data produced by next-generation spectroscopic surveys will set stronger constraints on the number density of low-mass Population III stars in the Milky Way.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Octofitter: Fast, Flexible, and Accurate Orbit Modeling to Detect Exoplanets

As next-generation imaging instruments and interferometers search for planets closer to their stars, they must contend with increasing orbital motion and longer integration times. These compounding effects make it difficult to detect faint planets but also present an opportunity. Increased orbital motion makes it possible to move the search for planets into the orbital domain, where direct images can be freely combined with the radial velocity and proper motion anomaly, even without a confirmed detection in any single epoch. In this paper, we present a fast and differentiable multimethod orbit-modeling and planet detection code called Octofitter. This code is designed to be highly modular and allows users to easily adjust priors, change parameterizations, and specify arbitrary function relations between the parameters of one or more planets. Octofitter further supplies tools for examining model outputs including prior and posterior predictive checks and simulation-based calibration. We demonstrate the capabilities of Octofitter on real and simulated data from different instruments and methods, including HD 91312, simulated JWST/NIRISS aperture masking interferometry observations, radial velocity curves, and grids of images from the Gemini Planet Imager. We show that Octofitter can reliably recover faint planets in long sequences of images with arbitrary orbital motion. This publicly available tool will enable the broad application of multiepoch and multimethod exoplanet detection, which could improve how future targeted ground- and space-based surveys are performed. Finally, its rapid convergence makes it a useful addition to the existing ecosystem of tools for modeling the orbits of directly imaged planets.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2015

Swamp Works: A New Approach to Develop Space Mining and Resource Extraction Technologies at the National Aeronautics Space Administration (NASA) Kennedy Space Center (KSC)

The first steps for In Situ Resource Utilization (ISRU) on target bodies such as the Moon, Mars and Near Earth Asteroids (NEA), and even comets, involve the same sequence of steps as in the terrestrial mining of resources. First exploration including prospecting must occur, and then the resource must be acquired through excavation methods if it is of value. Subsequently a load, haul and dump sequence of events occurs, followed by processing of the resource in an ISRU plant, to produce useful commodities. While these technologies and related supporting operations are mature in terrestrial applications, they will be different in space since the environment and indigenous materials are different than on Earth. In addition, the equipment must be highly automated, since for the majority of the production cycle time, there will be no humans present to assist or intervene. This space mining equipment must withstand a harsh environment which includes vacuum, radical temperature swing cycles, highly abrasive lofted dust, electrostatic effects, van der Waals forces effects, galactic cosmic radiation, solar particle events, high thermal gradients when spanning sunlight terminators, steep slopes into craters / lava tubes and cryogenic temperatures as low as 40 K in permanently shadowed regions. In addition the equipment must be tele-operated from Earth or a local base where the crew is sheltered. If the tele-operation occurs from Earth then significant communications latency effects mandate the use of autonomous control systems in the mining equipment. While this is an extremely challenging engineering design scenario, it is also an opportunity, since the technologies developed in this endeavor could be used in the next generations of terrestrial mining equipment, in order to mine deeper, safer, more economical and with a higher degree of flexibility. New space technologies could precipitate new mining solutions here on Earth. The NASA KSC Swamp Works is an innovation environment and methodology, with associated laboratories that uses lean development methods and creativity-enhancing processes to invent and develop new solutions for space exploration. This paper will discuss the Swamp Works approach to developing space mining and resource extraction systems and the vision of space development it serves. The ultimate goal of the Swamp Works is to expand human civilization into the solar system via the use of local resources utilization. By mining and using the local resources in situ, it is conceivable that one day the logistics supply train from Earth can be eliminated and Earth independence of a space-based community will be enabled.

Resource Extraction↗
DOE OSTI2024

First-principles study of the structures and redox mechanisms of Ni-rich lithium nickel manganese cobalt oxides

To reduce the cobalt (Co) content in lithium-ion batteries, Ni-rich (high-Ni) lithium nickel manganese cobalt oxides (NMC) are pursued as one of the next-generation cathode materials. However, there is still debate on the crystal and electronic structures of the baseline, LiNiO 2 . Density Functional Theory (DFT) calculations were performed to provide a theoretical understanding of Ni-rich NMC. First, it was found that the commonly used $R\bar{3}m$ structure for LiNiO 2 is metallic, contrary to the experimentally reported mix-conducting behavior. Among the four different space groups, $R\bar{3}m$, C2/m, P2 1 /c, and P2/c, P2/c with charge disproportionation of Ni 2+ and Ni 4+ is the most energetically stable and semiconducting structure of LiNiO 2 . Therefore, the atomic structures of representative Ni-rich NMC were built by partially replacing Ni with Co or Mn in the P2/c LiNiO 2 to form Li x Ni y Mn z Co 1-y-z O 2 . In the fully lithiated (x=1.0) high Ni content NMC (y>0.5), the oxidation state of all Mn ions becomes 4+, while Co ions still maintain 3+, and part of the Ni ions become 3+ to compensate for the charge. Upon delithiation, the local environment shows more variation of the charge states on the transition metal (TM) ions. The average oxidation on each TM follows a sequence of losing electrons that starts from Ni 2+ to Ni 3+ , then oxidizing Ni 3+ and Co 3+ , while Mn 4+ remains electrochemically inactive till x=0. Finally, a general relationship for the oxidation state change in each TM as a function of x is derived and shows agreement with both modeling and experimental data.

25 ENERGY STORAGE↗
DOE OSTI2021

Building Neutron Scattering Infrastructure in Louisiana for Advanced Materials (Final Report)

The main objective of the Louisiana Consortium for Neutron Scattering (LaCNS) is to build a major neutron scattering infrastructure capable of treating both soft and hard materials. The goal is to create a sustainable effort having the quality, breadth, and depth necessary to produce competitive proposals including collaborative and center type proposals. Our scientific aim is to understand the role of coupling in emergent complex materials and its impact on the structure/property relationship and to explore how to tune the key couplings to guide the design of materials with the desired properties. This naturally includes building a base of users of the Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR) in Louisiana; to train highly talented graduate and post-doctoral students in synthesis, neutron scattering, and simulation and modeling techniques, thereby helping to produce the next generation of scientist who use neutron scattering techniques as a crucial part of their research. The goal of our hard matter program is to understand the interplay between spin, charge, orbital, and lattice degrees of freedom in carefully selected complex materials. We have made considerable progress on number of complex systems including the oxide Sr3(Ru1-xMnx)2O7 where short-range magnetic ordering with anisotropic spin texture is initiated at the metal-insulator transition that clearly indicates a strong spin-charge coupling. Another critical area is in quantum materials. For example, in the topological semimetal BaMnSb2, we found a 3D canted antiferromagnetic Weyl semimetal with a 2D electronic structure and a nontrivial Berry phase. In addition, in the hexagonal chiral Mn1/3NbS2 system, we found soliton/soliton and soliton/antisoliton domain walls where the application of small fields or small currents can be used to control nanoscopic magnetic domains where the control of domain walls is crucially important for information storage. In addition, chemical transformation investigations were performed on the VISION instrument at Spallation Neutron Source (SNS). The soft matter effort was focused on understanding the role of non-covalent interactions on the structure and dynamics of fluid-based soft matter. One key focus was on sequence-defined (SD) amphiphilic peptoid polymers that allow encoding of molecular interactions and thereby systematic investigations of how charge directs the solution self-assembly of amphiphilic polymers in water. Another important area was on the dynamics of lipids self-assembled into membranes for exploring the permeability and mechanical using both neutron spin echo (NSE) spectroscopy and quasielastic neutron scattering (QENS) to distinguished between viscoelasticity and permeability at the molecular scale. Overall, the LaCNS project was quite successful, generating 145 publications and 245 presentations. Our graduate and post-doctoral students were well trained resulting in positions in national laboratories (Oak Ridge National Laboratory (ORNL), Argonne National Laboratory and Los Alamos National Laboratory), major research universities, and industry. We also developed a uniaxial pressure cell along with ORNL for SNS. A critical goal of this project was to establish a foundation for competing nationally in federally funded research programs. To this end, we were quite successful in generating over twenty-two federally and non-federally funded grants including awards from NSF, DOE, and DOD, and two early career awards. Equally important, we were able to secure a key major piece of instrumentation via a large ARO grant for a state-of-the-art electron microscope.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Assessment of Critical Experiment Benchmark Applicability to a Large-Capacity HALEU Transportation Package Concept

This work presents an assessment of the applicability of existing benchmark critical experiments to the criticality safety code validation for a large-capacity high-assay low-enriched uranium (HALEU) transportation package concept. Numerous next-generation nuclear reactor designs require HALEU fuel, which is characterized by an enrichment between 5 and 20 wt% 235 U. The U.S. Department of Energy (DOE) has proposed to recover and downblend highly enriched uranium from DOE-owned used nuclear fuel to accelerate the demonstration of commercially viable microreactor technologies. One element of the infrastructure needed to demonstrate HALEU-fueled reactors is the ability to safely transport enriched product to be used for fuel fabrication. There is uncertainty as to whether existing critical benchmark experiment data are sufficient to support criticality safety code validation for HALEU transportation applications. The anticipated chemical form of the HALEU in the proposed transportation concept is UO 2 with 20 wt% 235 U/U. The concept uses a combination of an existing transportation packaging design and a novel basket design, including borated aluminum flux traps. The basket provides space for 18 reusable, stainless steel canisters that contain the HALEU. In 10 CFR 71, normal conditions of transport (NCTs) and hypothetical accident conditions (HACs) are defined for fissile material transportation packages. NCT and HAC KENO-VI models of the transportation package were developed using the Standardized Computer Analyses for Licensing Evaluation (SCALE) 6.2.3 computer code package, and optimum moderation conditions were determined using the SCALE SAMPLER sequence. The SCALE Tools for Sensitivity and Uncertainty Analysis Methodology Implementation (TSUNAMI) sequences were then used to compare the neutronic characteristics of 1584 International Criticality Safety Benchmark Evaluation Project benchmark critical experiments with the NCT and HAC HALEU transportation models. The TSUNAMI integral correlation coefficient c k was the criterion used to rank neutronic similarity. Thirty-four experiments were identified as similar (c k ≥ 0.9) to the NCT model, and 55 experiments were identified as similar to the HAC model. Hundreds of experiments were also identified as at least marginally similar (c k ≥ 0.8) to both models. The results indicate that additional critical experiments are unlikely to be needed to support HALEU transportation criticality safety analyses for package concepts similar to the concept package analyzed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

A Method of Ground-Based Cloud Motion Predict: CCLSTM + SR-Net

Ground-based cloud images can provide information on weather and cloud conditions, which play an important role in cloud cover monitoring and photovoltaic power generation forecasting. However, the cloud motion prediction of ground-based cloud images still lacks advanced and complete methods, and traditional technologies based on image processing and motion vector calculation are difficult to predict cloud morphological changes. In this paper, we propose a cloud motion prediction method based on Cascade Causal Long Short-Term Memory (CCLSTM) and Super-Resolution Network (SR-Net). Firstly, CCLSTM is used to estimate the shape and speed of cloud motion. Secondly, the Super-Resolution Network is built based on perceptual losses to reconstruct the result of CCLSTM and, finally, make it clearer. We tested our method on Atmospheric Radiation Measurement (ARM) Climate Research Facility TSI (total sky imager) images. The experiments showed that the method is able to predict the sky cloud changes in the next few steps.

54 ENVIRONMENTAL SCIENCES↗