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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
DOE OSTI2025

A Cross‐Linked Flexible Metaferroelectrolyte Regulated by 2D/2D Perovskite Heterostructures for High‐Performance Compact Solid‐State Sodium Batteries

Abstract To address the issues of limited ionic conductivity and poor interface stability at room and low temperatures in solid‐state electrolytes, a robust intrinsic ferroelectrolyte or nanoferroelectrolyte strategy for engineering solid‐state flexible ferroelectric composite electrolytes utilizing strongly coupled intrinsic ion conducting 2D/2D sodium‐rich anti‐perovskite (NaRAP)/ferroelectric perovskite heterostructures is introduced. Herein, highly scalable PVDF‐based metaferroelectrolytes with Na 2.99 Ba 0.005 OCl/Ca 2 Na 2 Nb 5 O 16 − (CNNO − ) nanosheets into a ferroelectric poly(vinylidene fluoride‐co‐hexafluoropropylene) (PVDF‐HFP) matrix, through an in situ cross‐linking and spontaneous bridging method, for compact solid‐state sodium batteries (SSBs), are reported. Benefiting from unique well‐dispersed 3D ferroelectric coupled network and the Na 2.99 Ba 0.005 OCl/CNNO − ‐induced PVDF‐HFP ferroelectric β phase, the Na + flux is regulated, thereby inhibiting Na dendrite growth at the interface. Notably, the optimized PH‐5% NC metaferroelectrolyte exhibits rapid ion transport (1.11 × 10 −4 S cm −1 at 25 °C), a wide electrochemical window (> 4.8V), superior conformal mechanical compatibility, improved flexibility, good elasticity and flame retardancy. The solid‐state Na 3 V 2 (PO 4 ) 3 /PH‐5% NC/Na batteries present a stable cycling performance (remaining 56.4 mAh g −1 after 500 cycles at 1 C) even at 0 °C, potential for cost‐effective, safe, stable and compact SSB energy storage over 600 Wh L −1 , vastly surpassing 365 Wh L −1 of the current commercial sodium‐ion liquid‐electrolyte batteries.

Chemistry↗
DOE OSTI2024

INSPIRED: Inelastic neutron scattering prediction for instantaneous results and experimental design

Inelastic neutron scattering (INS) has unique advantages in probing how atoms vibrate and how the vibrations propagate and interact. Such dynamic information is crucial in understanding various material properties, from heat capacity, thermal conductivity, phase transitions, and chemical reactions to more exotic quantum behavior. The analysis and interpretation of the INS spectra often start from a model structure of the sample, followed by a series of calculations to obtain the simulated spectra to compare with experiments. The conventional way to perform such calculations usually requires significant time, computing resources, and specialized expertise. Here, we present a new program named INSPIRED (Inelastic Neutron Scattering Prediction for Instantaneous Results and Experimental Design), which enables users to perform rapid INS simulations in several different ways on their personal computers in just a few clicks, with the crystal structure as the only input file. Specifically, the users can choose a pre-trained symmetry-aware neural network (coupled with an autoencoder) to predict the phonon density of states (DOS), 1D S(E) and 2D S(|Q|,E) spectra for any given structure. One can also choose an existing density functional theory (DFT) calculation from a database (containing over 12,000 crystals), and quickly obtain the simulated INS spectra for single crystals and powders. It is also possible to use pre-trained universal machine learning force fields to relax a given crystal structure, calculate the phonon dispersion and DOS, and, subsequently, the INS spectra. All these functions are implemented with a PyQt graphic user interface. Finally, we expect these new tools will benefit broad user communities and significantly improve the efficiency of experiment design, execution, and data analysis for INS.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

A statistical approach to screening isotopic signatures in monitoring for underground nuclear explosions

The ability to differentiate between atmospheric radionuclide signatures from underground nuclear explosions (UNEs) and signals from other sources, such as medical isotope-production facilities and nuclear reactors, can be critical to the detection and monitoring of unannounced, low-yield nuclear events. Signatures having anomalously high amplitudes, compared to background levels, remain the best indicator in screening for a UNE. However, isotopic composition can further validate a suspected UNE signature, but separation from any atmospheric background composition is first necessary. To date, evaluating the challenges of performing this separation has typically involved comparing an observed background with a highly idealized deterministic model of radioxenon signature production by a UNE that does not consider the influence of post-detonation chemical/physical processes in the detonation cavity or the subsequent gas transport mechanisms that can also affect the isotopic composition of the detected gas signature. In addition, purely deterministic models, as previously employed, overlook the uncertainty inherent in estimating critical parameters characterizing the UNE and its detonation environment. In this paper, we create detailed, multi-parameter models of radionuclide evolution using the widely accepted England and Rider post-detonation radionuclide decay-chain network coupled to detailed models simulating physical production and transport processes affecting the gas signature. Because these models are governed by uncertain parameters including barometric fluctuations, realistic ranges of variation for each of the parameters influencing isotopic composition are then defined. A Latin-Hypercube sampling approach is used to obtain a random distribution of isotopic production and gas transport results associated with a given value of each parameter. We apply these results to background histories of two stations, one providing 4-isotope background measurements and the other providing two-isotope measurements associated with the 2013 DPRK announced UNE.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2023

Multiplex Detection of Multiple-Quantum/Single-Quantum NMR Correlation Spectra

High-ordered multiple-quantum coherences have been used to gauge the size of coupled networks of nuclear spins but are seldom used in modern high-resolution solid-state NMR spectroscopy due to the low resolution of earlier techniques. Herein, we extend this work to the third dimension by designing an MQ spin counting experiment with full chemical resolution of the nuclei involved in the coherences. The technique uses multiplex processing to simultaneously acquire MQ/1Q correlation 2D spectra, with all even-ordered values of M, in the same amount of time it would take to acquire the 2Q/1Q spectrum alone. Further, we apply this multiplexed MQ/1Q correlation method to probe site clustering on functionalized silica surfaces and find the first evidence of clusters involving three or more functionalities. When applied to a supported zirconium metallocene, the observation of a 6Q coherence between six cyclopentadienyl proton nuclei confirms the colocation of two cyclopentadienyl ligands on a single metal center.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

DS-GL: Advancing Graph Learning via Harnessing the Power of Nature within Dynamic Systems

With the rapid digitization of the world, an increasing number of real-world applications are turning to nonEuclidean data, modeled as graphs. Due to their intrinsic high complexity and irregularity, learning from graph data demands tremendous computational power. Recently, CMOS-compatible Ising machines, i.e., dynamic systems composed of CMOS components, have emerged as a new approach that harnesses the inherent power of natural annealing within dynamic systems to efficiently resolve binary optimization problems and have been adopted for traditional graph computation, such as max-cut. However, when performing complex Graph Learning (GL) tasks, Ising machines face significant hurdles: (i) they are inherently binary and thus ill-suited for real-valued problems; (ii) their expensive all-to-all coupling network that guarantees effective natural annealing poses daunting scalability concerns. To address these challenges, this paper proposes a nature-powered graph learning framework dubbed DS-GL, which is the first effort to transform the process of solving graph learning problems into the natural annealing process within a parameterized dynamic system embodied as a CMOS chip. To tackle the two major hurdles, DS-GL first augments the Ising machine architecture to modify the self-reaction term of its Hamiltonian function from linear to quadratic, effectively serving as an energy regulator. This adjustment maintains the system’s original physical interpretation while enabling it to process continuous, real-valued data. Second, to address the scaling issue, DS-GL further upgrades the real-valued dense Ising machine by decomposing it into a mesh-based multi-PE dynamic system that supports efficient distributed spatial-temporal co-annealing across different PEs through sparse interconnects. By exploiting the inherent sparsity and component structures in real-world graphs, DS-GL is able to map complex graph learning tasks onto the scalable dynamic system while maintaining high accuracy. Evaluations with three diverse GL applications across six real-world datasets, including traffic flow and COVID-19 prediction, show that DS-GL can deliver from 102× to 106× speedups and 500× energy reduction over Graph Neural Networks on GPUs, with 5% - 20% accuracy enhancement.

Song, Ruibing↗
DOE OSTI2021

A Nuclear Security Enterprise Study of High-Reliability Systems, Collaboration, and Data

It may seem simple and trivial, but defining the difference between data and information is contested and has implications that may affect the security of United States interests and even cost lives. For security, data are raw facts or figures without context, while information is the compilation or articulation of data that forms context. Security depends on clarity in the differences between data and information and controlling them. Control is necessary to ensure that data and information are not inadvertently released to foreign governments, the public, or those without Need-to-Know. A primary concern in the practice of security is the control of data to avoid the inadvertent conversion to sensitive information. The complexity of this concern is further augmented when institutions are part of tightly coupled networks that informally share data and information. Additionally, those that share data as a function of legislative action—and/or formally integrate data and information system infrastructures—may be a higher security risk. This paper will present a case study that utilizes elements of literature from Knowledge Management and networks to tell a story of an issue in security—specifically, controlling the conversion of data to information.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2023

Advanced Long-Term Environmental Monitoring Systems (ALTEMIS) Artificial Intelligence Data Management Plan

Across the Department of Energy’s Environmental and Legacy Management sites, complex groundwater plumes exist that will require long-term monitoring to ensure remedial actions that have been put in place remain effective decades into the future. The current monitoring paradigm predominantly consists of groundwater well sampling, whereby samples are collected, concentrations analyzed, and plume anomalies are detected after they have occurred. The Advanced Long Term Environmental Monitoring Systems (ALTEMIS) program is a multi-lab, multi-institution team of researchers that is deploying spatially integrative technologies (i.e., real-time in situ sensor networks), coupled with artificial intelligence and machine learning, to establish a more proactive monitoring paradigm. Within this approach, plume anomalies can be predicted, and corrective actions can be established prior to the occurrence, offering a more cost-effective and robust approach to long-term monitoring. The team has deployed a variety of different in situ sensing technologies at the Savannah River Site’s F-Area Hazardous Waste Management Facility around the F-Area Seepage Basins, which are unlined basins that received 7 billion liters of acidic low-level radioactive waste from the 1950s until the late 1980s. The technologies and techniques that the team is deploying are intended to ensure that the remedial actions that have been taken by the site remain effective decades into the future. Foundational to this approach is a robust, integrated data management and analysis plan to ensure accurate and timely reporting from the variety of sensor systems that are in place. This report will outline the data management plan that has been implemented by the ALTEMIS team at the Savannah River Site and will serve as a blueprint as the technology is translated to new sites across the DOE Complex.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1979

Feasibility study for a numerical aerodynamic simulation facility. Volume 2: Hardware specifications/descriptions

An FMP (Flow Model Processor) was designed for use in the Numerical Aerodynamic Simulation Facility (NASF). The NASF was developed to simulate fluid flow over three-dimensional bodies in wind tunnel environments and in free space. The facility is applicable to studying aerodynamic and aircraft body designs. The following general topics are discussed in this volume: (1) FMP functional computer specifications; (2) FMP instruction specification; (3) standard product system components; (4) loosely coupled network (LCN) specifications/description; and (5) three appendices: performance of trunk allocation contention elimination (trace) method, LCN channel protocol and proposed LCN unified second level protocol.

Green, F. M.↗
NASA NTRS1989

Hybrid interconnection structures for real-time parallel processing

The use of hybrid interconnection structures that combine link connections and bus connections for real-time parallel processing is discussed. Idealistic parallel computation models for two real-time computing applications are described with attention given to a tightly coupled network model for object tracking and a network model for image processing. Consideration is given to the following different interconnection structures: the crossbar, the hypercube, the circular linked array, and the bus array.

Kim, K. H.↗
NASA NTRS2000

Networked Rectenna Array for Smart Material Actuators

The concept of microwave-driven smart material actuators is envisioned as the best option to alleviate the complexity associated with hard-wired control circuitry. Networked rectenna patch array receives and converts microwave power into a DC power for an array of smart actuators. To use microwave power effectively, the concept of a power allocation and distribution (PAD) circuit is adopted for networking a rectenna/actuator patch array. The PAD circuit is imbedded into a single embodiment of rectenna and actuator array. The thin-film microcircuit embodiment of PAD circuit adds insignificant amount of rigidity to membrane flexibility. Preliminary design and fabrication of PAD circuitry that consists of a few nodal elements were made for laboratory testing. The networked actuators were tested to correlate the network coupling effect, power allocation and distribution, and response time. The features of preliminary design are 16-channel computer control of actuators by a PCI board and the compensator for a power failure or leakage of one or more rectennas.

Choi, Sang H.↗
NASA NTRS2002

Microwave-Driven Multifunctional Capability of Membrane Structures

A large, ultra lightweight space structure, such as solar sails and Gossamer spacecrafts, requires a distributed power source to alleviate wire networks, unlike the localized on-board power infrastructures typically found in most small spacecrafts. The concept of microwave-driven multifunctional capability for membrane structures is envisioned as the best option to alleviate the complexity associated with hard-wired control circuitry and on-board power infrastructures. A rectenna array based on a patch configuration for high voltage output was developed to drive membrane actuators, sensors, probes, or other devices. Networked patch rectenna array receives and converts microwave power into a DC power for an array of smart actuators. To use microwave power effectively, the concept of a power allocation and distribution (PAD) circuit is adopted for networking a rectenna/actuator patch array. The use of patch rectennas adds a significant amount of rigidity to membrane flexibility and they are relatively heavy. A dipole rectenna array (DRA) appears to be ideal for thin-film membrane structures, since DRA is flexible and light. Preliminary design and fabrication of PAD circuitry that consists of a few nodal elements were made for laboratory testing. The networked actuators were tested to correlate the network coupling effect, power allocation and distribution, and response time.

Choi, Sang H.↗
NASA NTRS2005

Monitoring Floods with NASA's ST6 Autonomous Sciencecraft Experiment: Implications on Planetary Exploration

NASA's New Millennium Program (NMP) Autonomous Sciencecraft Experiment (ASE) [1-3] has been successfully demonstrated in Earth-orbit. NASA has identified the development of an autonomously operating spacecraft as a necessity for an expanded program of missions exploring the Solar System. The versatile ASE spacecraft command and control, image formation, and science processing software was uploaded to the Earth Observer 1 (EO-1) spacecraft in early 2004 and has been undergoing onboard testing since May 2004 for the near real-time detection of surface modification related to transient geological and hydrological processes such as volcanism [4], ice formation and retreat [5], and flooding [6]. Space autonomy technology developed as part of ASE creates the new capability to autonomously detect, assess, react to, and monitor dynamic events such as flooding. Part of the challenge has been the difficulty to observe flooding in real time at sufficient temporal resolutions; more importantly, it is the large spatial extent of most drainage networks coupled with the size of the data sets necessary to be downlinked from satellites that make it difficult to monitor flooding from space. Below is a description of the algorithms (referred to as ASE Flood water Classifiers) used in tandem with the Hyperion spectrometer instrument on EO-1 to identify flooding and some of the test results.

Ip, Felipe↗
NASA NTRS2015

Zero Boil-Off System Testing

Cryogenic propellants such as liquid hydrogen (LH2) and liquid oxygen (LO2) are a part of NASA's future space exploration plans due to their high specific impulse for rocket motors of upper stages. However, the low storage temperatures of LH2 and LO2 cause substantial boil-off losses for long duration missions. These losses can be eliminated by incorporating high performance cryocooler technology to intercept heat load to the propellant tanks and modulating the cryocooler temperature to control tank pressure. The technology being developed by NASA is the reverse turbo-Brayton cycle cryocooler and its integration to the propellant tank through a distributed cooling tubing network coupled to the tank wall. This configuration was recently tested at NASA Glenn Research Center in a vacuum chamber and cryoshroud that simulated the essential thermal aspects of low Earth orbit, its vacuum and temperature. This test series established that the active cooling system integrated with the propellant tank eliminated boil-off and robustly controlled tank pressure.

Reverse turbo-Brayton cycle↗
NASA NTRS2015

Zero Boil-Off System Testing

Cryogenic propellants such as liquid hydrogen (LH2) and liquid oxygen (LO2) are a part of NASA's future space exploration due to their high specific impulse for rocket motors of upper stages suitable for transporting 10s to 100s of metric tons of payload mass to destinations outside of low earth orbit and for their return. However, the low storage temperatures of LH2 and LO2 cause substantial boil-off losses for missions with durations greater than several months. These losses can be eliminated by incorporating high performance cryocooler technology to intercept heat load to the propellant tanks and modulating the cryocooler to control tank pressure. The active thermal control technology being developed by NASA is the reverse turbo-Brayton cycle cryocooler and its integration to the propellant tank through a distributed cooling tubing network coupled to the tank wall. This configuration was recently tested at NASA Glenn Research Center, in a vacuum chamber and cryoshroud that simulated the essential thermal aspects of low Earth orbit, its vacuum and temperature. Testing consisted of three passive tests with the active cryocooler system off, and 7 active tests, with the cryocooler powered up. The test matrix included zero boil-off tests performed at 90 full and 25 full, and several demonstrations at excess cooling capacity and reduced cooling capacity. From this, the tank pressure response with varied cryocooler power inputs was determined. This test series established that the active cooling system integrated with the propellant tank eliminated boil-off and robustly controlled tank pressure.

Plachta, David W.↗
NASA NTRS2015

Multi-Spacecraft Autonomous Positioning System

As the number of spacecraft in simultaneous operation continues to grow, there is an increased dependency on ground-based navigation support. The current baseline system for deep space navigation utilizes Earth-based radiometric tracking, requiring long-duration observations to perform orbit determination and generate a state update. The age, complexity, and high utilization of the ground assets pose a risk to spacecraft navigation performance. In order to perform complex operations at large distances from Earth, such as extraterrestrial landing and proximity operations, autonomous systems are required. With increasingly complex mission operations, the need for frequent and Earth-independent navigation capabilities is further reinforced. The Multi-spacecraft Autonomous Positioning System (MAPS) takes advantage of the growing interspacecraft communication network and infrastructure to allow for Earth-autonomous state measurements to enable network-based space navigation. A notional concept of operations is given in figure 1. This network is already being implemented and routinely used in Martian communications through the use of the Mars Reconnaissance Orbiter and Mars Odyssey spacecraft as relays for surface assets. The growth of this communications architecture is continued through MAVEN, and future potential commercial Mars telecom orbiters. This growing network provides an initial Marslocal capability for inter-spacecraft communication and navigation. These navigation updates are enabled by cross-communication between assets in the network, coupled with onboard navigation estimation routines to integrate packet travel time to generate ranging measurements. Inter-spacecraft communication allows for frequent state broadcasts and time updates from trusted references. The architecture is a software-based solution, enabling its implementation on a wide variety of current assets, with the operational constraints and measurement accuracy determined by onboard systems.

Anzalone, Evan↗
NASA NTRS2017

Liquid Nitrogen Zero Boiloff Testing

Cryogenic propellants such as liquid hydrogen (LH2) and liquid oxygen (LO2) are a part of NASAs future space exploration due to their high specific impulse for rocket motors of upper stages suitable for transporting 10s to 100s of metric tons of payload mass to destinations outside of low earth orbit and for their return. However, the low storage temperatures of LH2 and LO2 cause substantial boil-off losses for missions with durations greater than several months. These losses can be eliminated by incorporating high performance cryocooler technology to intercept heat load to the propellant tanks and modulating the cryocooler to control tank pressure. The active thermal control technology being developed by NASA is the reverse turbo-Brayton cycle cryocooler and its integration to the propellant tank through a distributed cooling tubing network coupled to the tank wall. This configuration was recently tested at NASA Glenn Research Center, in a vacuum chamber and cryo-shroud that simulated the essential thermal aspects of low Earth orbit, its vacuum and temperature. Testing consisted of three passive tests with the active cryo-cooler system off, and 7 active tests, with the cryocooler powered up. The test matrix included zero boil-off tests performed at 90 full and 25 full, and several demonstrations at excess cooling capacity and reduced cooling capacity. From this, the tank pressure response with varied cryocooler power inputs was determined. This test series established that the active cooling system integrated with the propellant tank eliminated boil-off and robustly controlled tank pressure.

Cryogenic fluid management↗
DOE OSTI2024

The MOSAiC Distributed Network: Observing the coupled Arctic system with multidisciplinary, coordinated platforms

Central Arctic properties and processes are important to the regional and global coupled climate system. The Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) Distributed Network (DN) of autonomous ice-tethered systems aimed to bridge gaps in our understanding of temporal and spatial scales, in particular with respect to the resolution of Earth system models. By characterizing variability around local measurements made at a Central Observatory, the DN covers both the coupled system interactions involving the ocean-ice-atmosphere interfaces as well as three-dimensional processes in the ocean, sea ice, and atmosphere. The more than 200 autonomous instruments (“buoys”) were of varying complexity and set up at different sites mostly within 50 km of the Central Observatory. During an exemplary midwinter month, the DN observations captured the spatial variability of atmospheric processes on sub-monthly time scales, but less so for monthly means. They show significant variability in snow depth and ice thickness, and provide a temporally and spatially resolved characterization of ice motion and deformation, showing coherency at the DN scale but less at smaller spatial scales. Ocean data show the background gradient across the DN as well as spatially dependent time variability due to local mixed layer sub-mesoscale and mesoscale processes, influenced by a variable ice cover. The second case (May–June 2020) illustrates the utility of the DN during the absence of manually obtained data by providing continuity of physical and biological observations during this key transitional period. We show examples of synergies between the extensive MOSAiC remote sensing observations and numerical modeling, such as estimating the skill of ice drift forecasts and evaluating coupled system modeling. The MOSAiC DN has been proven to enable analysis of local to mesoscale processes in the coupled atmosphere-ice-ocean system and has the potential to improve model parameterizations of important, unresolved processes in the future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Enabling complete multichannel nonadiabatic dynamics: A global representation of the two-channel coupled, 1,2 1 A and 1 3 A states of NH 3 using neural networks

Global coupled three-state two-channel potential energy and property/interaction (dipole and spin–orbit coupling) surfaces for the dissociation of NH 3 (Ã) into NH + H 2 and NH 2 + H are reported. The permutational invariant polynomial-neural network approach is used to simultaneously fit and diabatize the electronic Hamiltonian by fitting the energies, energy gradients, and derivative couplings of the two coupled lowest-lying singlet states as well as fitting the energy and energy gradients of the lowest-lying triplet state. The key issue in fitting property matrix elements in the diabatic basis is that the diabatic surfaces must be smooth, that is, the diabatization must remove spikes in the original adiabatic property surfaces attributable to the switch of electronic wavefunctions at the conical intersection seam. Here, we employ the fit potential energy matrix to transform properties in the adiabatic representation to a quasi-diabatic representation and remove the discontinuity near the conical intersection seam. The property matrix elements can then be fit with smooth neural network functions. The coupled potential energy surfaces along with the dipole and spin–orbit coupling surfaces will enable more accurate and complete treatment of optical transitions, as well as nonadiabatic internal conversion and intersystem crossing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗