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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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At least 505 records · Page 28

All sources NASA NTRS DOE OSTI

NASA NTRS2009

Experimental Results of Integrated Refrigeration and Storage System Testing

Launch operations engineers at the Kennedy Space Center have identified an Integrated Refrigeration and Storage system as a promising technology to reduce launch costs and enable advanced cryogenic operations. This system uses a close cycle Brayton refrigerator to remove energy from the stored cryogenic propellant. This allows for the potential of a zero loss storage and transfer system, as well and control of the state of the propellant through densification or re-liquefaction. However, the behavior of the fluid in this type of system is different than typical cryogenic behavior, and there will be a learning curve associated with its use. A 400 liter research cryostat has been designed, fabricated and delivered to KSC to test the thermo fluid behavior of liquid oxygen as energy is removed from the cryogen by a simulated DC cycle cryocooler. Results of the initial testing phase focusing on heat exchanger characterization and zero loss storage operations using liquid oxygen are presented in this paper. Future plans for testing of oxygen densification tests and oxygen liquefaction tests will also be discussed. KEYWORDS: Liquid Oxygen, Refrigeration, Storage

Notardonato, W. U.↗

NASA NTRS2006

Lessons Learned from Daily Uplink Operations during the Deep Impact Mission

The daily preparation of uplink products (commands and files) for Deep Impact was as problematic as the final encounter images were spectacular. The operations team was faced with many challenges during the six-month mission to comet Tempel One of the biggest difficulties was that the Deep Impact Flyby and Impactor vehicles necessitated a high volume of uplink products while also utilizing a new uplink file transfer capability. The Jet Propulsion Laboratory (JPL) Multi-Mission Ground Systems and Services (MGSS) Mission Planning and Sequence Team (MPST) had the responsibility of preparing the uplink products for use on the two spacecraft. These responsibilities included processing nearly 15,000 flight products, modeling the states of the spacecraft during all activities for subsystem review, and ensuring that the proper commands and files were uplinked to the spacecraft. To guarantee this transpired and the health and safety of the two spacecraft were not jeopardized several new ground scripts and procedures were developed while the Deep Impact Flyby and Impactor spacecraft were en route to their encounter with Tempel-1. These scripts underwent several adaptations throughout the entire mission up until three days before the separation of the Flyby and Impactor vehicles. The problems presented by Deep Impact's daily operations and the development of scripts and procedures to ease those challenges resulted in several valuable lessons learned. These lessons are now being integrated into the design of current and future MGSS missions at JPL.

uplink↗

DOE OSTI2024

Predicting Partial Atomic Charges in Metal–Organic Frameworks: An Extension to Ionic MOFs

Molecular simulation is an invaluable tool to predict and understand the usage of metal–organic frameworks (MOFs) for gas storage and separation applications. Accurate partial atomic charges, commonly obtained from density functional theory (DFT) calculations, are often required to model the electrostatic interactions between the MOF and adsorbates, especially when the adsorbates have dipole or quadrupole moments, such as water and CO 2 . Machine learning (ML) models have been previously employed to predict partial charges and avoid the computational cost associated with DFT calculations. However, previous ML models suffer from small training data sets, which limit their scope of application. In this work, we introduce two novel machine learning models, PACMOF2-neutral and PACMOF2-ionic, aimed at predicting the density-derived electrostatic and chemical (DDEC6) partial atomic charges for both neutral and ionic MOFs. These models not only yield DFT-level accuracy at a fraction of the computational cost but also demonstrate a remarkable improvement in prediction of adsorption, as validated with grand canonical Monte Carlo simulations. Furthermore, the robustness and fast computational time of the PACMOF2 models, along with their transferability to other porous materials such as covalent organic frameworks and zeolites, underscores their potential in high-throughput screening of MOFs for diverse applications.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Scaling Ensembles of Data-Intensive Quantum Chemical Calculations for Millions of Molecules

Deep learning models are efficient computational tools that can accelerate the inverse design of molecules with desired functional properties by generating predictions at a fraction of the time required by traditional quantum chemical approaches. To ensure that a model maintains accuracy and transferability across broad regions of the chemical space explored during the inverse design, it must be trained on massively large volumes of simulation data. This requires running large-scale ensemble quantum chemical calculations on high-performance computing (HPC) systems for data collection. However, the efficient execution of such large ensemble calculations and the management of large volumes of output data require tools that can judiciously utilize computational resources and manage metadata overhead on the file system. Therefore, we present a high-performance, scalable, ensemble management framework for performing data-intensive quantum chemical electronic structure calculations for organic molecules. This framework provides abstractions to plug different ab initio, first principles, and first principles-based semi-empirical methods and executes them efficiently at large scale on HPC systems. It dynamically distributes tasks to resources and uses tiered storage for managing large collections of files. We employed this framework to process over ten million organic molecules and generate open-source datasets that provide UV-vis absorption spectra by running time-dependent density-functional tight-binding calculations. It is the largest database containing molecular optical spectra that were simulated with quantum chemical methods in a consistent manner.

Mehta, Kshitij↗

DOE OSTI2025

SAGIPS: a physics-inspired scalable asynchronous generative inverse-problem solver

Abstract Solving large-scale inverse problems using deep-learning algorithms have become an essential part of modern research and industrial applications. The complexity of the underlying inverse problem may require the utilization of high performance computing systems which poses a challenge on the algorithmic design of the inverse problem solver. Most deep learning algorithms require, due to their design, custom parallelization techniques in order to be resource efficient while showing a reasonable convergence. In this paper we introduce a S calable A synchronous G enerative I nverse P roblem S olver (SAGIPS) on high-performance computing systems. We present a workflow that utilizes an asynchronous ring-allreduce algorithm to transfer the gradients of the generator network across multiple GPUs. Experiments with a scientific proxy application demonstrate that SAGIPS shows near linear weak scaling, together with a convergence quality that is comparable to traditional methods. The approach presented here allows leveraging Generative Adverserial Network across multiple GPUs, promising advancements in solving complex inverse problems at scale.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Charge accumulation and solvation in $β$-NiOOH: Surface chemistry of an OER catalyst from ML-aided simulations

Electrochemical water splitting is a key technology for a sustainable energy transition, providing a route to store surplus electricity from renewable sources. A central bottleneck is the sluggish oxygen evolution reaction (OER), which drives the search for catalysts that are active, stable, and inexpensive enough for large-scale deployment. Within this context, pure and doped NiO x H y combine high activity with low cost, making them prime candidates for alkaline OER. Yet, despite extensive study, the atomistic structure of NiOOH under operando conditions and the associated reaction mechanisms remain debated. Here, we investigate the structural complexity of pure β-NiOOH, the scaffold for its doped derivatives. We systematically investigate the oxidation of the surface adsorbates via proton-coupled electron transfer steps across relevant facets and sites, identifying the most probable sequence of deprotonation events. Our results reveal asymmetric charge accumulation on Wulff-relevant surfaces and show how applied potential can promote morphological restructuring. Explicit solvation is included through machine-learning interatomic potential molecular dynamics of the NiOOH/water interface, which allows us to resolve the hydrophobic and hydrophilic character of different surfaces and the associated interfacial water structure. Together, these insights demonstrate how surface chemistry and solvation jointly govern the stability of NiOOH and the accumulation of surface charge, with possible implications for catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1974

Experimenters' reference based upon Skylab experiment management

The methods and techniques for experiment development and integration that evolved during the Skylab Program are described to facilitate transferring this experience to experimenters in future manned space programs. Management responsibilities and the sequential process of experiment evolution from initial concept through definition, development, integration, operation and postflight analysis are outlined and amplified, as appropriate. Emphasis is placed on specific lessons learned on Skylab that are worthy of consideration by future programs.

Source record↗

NASA NTRS1984

Holographic aids for internal combustion engine flow studies

Worldwide interest in improving the fuel efficiency of internal combustion (I.C.) engines has sparked research efforts designed to learn more about the flow processes of these engines. The flow fields must be understood prior to fuel injection in order to design efficient valves, piston geometries, and fuel injectors. Knowledge of the flow field is also necessary to determine the heat transfer to combustion chamber surfaces. Computational codes can predict velocity and turbulence patterns, but experimental verification is mandatory to justify their basic assumptions. Due to their nonintrusive nature, optical methods are ideally suited to provide the necessary velocity verification data. Optical sytems such as Schlieren photography, laser velocimetry, and illuminated particle visualization are used in I.C. engines, and now their versatility is improved by employing holography. These holographically enhanced optical techniques are described with emphasis on their applications in I.C. engines.

Regan, C.↗

NASA NTRS1992

Thermal conductance of two interface materials and their applications in space systems

The temperature control of spacecraft and instrument systems and subsystems requires heat transfer interface materials that possess good thermal and structural characteristics, among other properties, to respond to the vacuum environment of space. These materials must be easy to apply to, and remove from, the surfaces where they are applied, and must be able to withstand power dissipation extremes, and be used for different clamping configurations and pressures. Silicone based greases, used in the past, tend to migrate and to contaminate nearby surfaces. Bare metal to metal contact offers low thermal conductance and difficulties in estimating the actual heat transfer. Several polymeric materials containing different thermal conductive compounds and structural reinforcements were prepared to overcome grease and metal problems. Two polymeric materials were evaluated: Cho-Therm 1671 elastomer; and the CV-2946, a conductive RTV silicone. Tests were done to learn more about these products. Results indicate that the tightly bolted, torqued fixtures did not buckle or distort, and provided optimum thermal conductance. Fixtures simulating actual spacecraft configuration suffered bowing and separating.

Scialdone, J. J.↗

NASA NTRS2008

James Webb Space Telescope - L2 Communications for Science Data Processing

JWST is the first NASA mission at the second Lagrange point (L2) to identify the need for data rates higher than 10 megabits per second (Mbps). JWST will produce approximately 235 Gigabits of science data every day that will be downlinked to the Deep Space Network (DSN). To get the data rates desired required moving away from X-band frequencies to Ka-band frequencies. To accomplish this transition, the DSN is upgrading its infrastructure. This new range of frequencies are becoming the new standard for high data rate science missions at L2. With the new frequency range, the issues of alternatives antenna deployment, off nominal scenarios, NASA implementation of the Ka-band 26 GHz, and navigation requirements will be discussed in this paper. JWST is also using Consultative Committee for Space Data Systems (CCSDS) standard process for reliable file transfer using CCSDS File Delivery Protocol (CFDP). For JWST the use of the CFDP protocol provides level zero processing at the DSN site. This paper will address NASA implementations of Ground Stations in support of Ka-band 26 GHz and lesson learned from implementing a file base (CFDP) protocol operational system.

Johns, Alan↗

NASA NTRSDate not supplied

A Machine Learning Approach for the Remote Sensing Retrieval of Oil Spills from Polarimetric Measurements

The Fresnel laws of specular reflection directly connect remote sensing observations of light polarization within the sunglint region to the ocean surface refractive index. This parameter is instrumental to identify areas affected by oil, or any other floating substance capable of modifying the refractive index of pure seawater. In preparation for the NASA Plankton, Aerosol, ocean Ecosystem (PACE) mission, we are developing an advanced retrieval scheme that exploits such measurements to deliver the refractive index as an operational product. The original method was developed based on observations of the airborne Research Scanning Polarimeter. Here we present several aspects related to the extension of this technique to the PACE HARP-2 sensor (especially regarding the projected accuracy), and discuss preliminary results obtained by applying neural-network trainings to look-up tables produced with the forward radiative transfer code, with the goal of improving the computational performance. Success in the final implementation will guarantee a version of the retrieval algorithm suitable to fast-response needs and disaster management.

machine learning↗

DOE OSTI2026

Machine learning based prediction of airflow maldistribution in air-to-refrigerant heat exchangers

Flow maldistribution is a common challenge in heat exchanger (HX) design and particularly important for air-to-refrigerant geometries where capacity losses can approach 65%. This has a major impact on central air conditioning systems, as compact duct design motivates the use of A-type HXs which are known to be affected by airflow maldistribution. Because velocity profiles are difficult to predict, components are often oversized leading to increased material cost, system footprint, and refrigerant charge. Several studies detail airflow maldistribution for individual HXs and packages, but findings cannot always be extrapolated to new designs. In this work, a machine learning (ML) based flow profile prediction framework is developed and applied to two common package configurations: (i) A-type and (ii) U-type HXs, across a broad range of HX geometries and flow rates. Porous media CFD simulations are validated against independent data for both package types as well as comprehensive in house measurements for a finless geometry with shape optimized non-round tubes, which validates the framework for new heat transfer surfaces. The ML models are trained on the porous media CFD simulations, predicting volumetric flow rate (VFR) within 1.1% and 1.9% with maximum relative L 2 norm errors of 0.48 and 0.65, respectively, while also delivering 10 5 speed up factor compared to full porous media CFD. HX level simulations show an up to 9% reduction in heat transfer from flow maldistribution, with greater losses occurring at smaller half apex angles. This framework enables rapid and highly accurate prediction of airflow maldistribution induced capacity degradation.

42 ENGINEERING↗

DOE OSTI2024

Investigating resource-efficient neutron/gamma classification ML models targeting eFPGAs

There has been considerable interest and resulting progress in implementing machine learning (ML) models in hardware over the last several years from the particle and nuclear physics communities. A big driver has been the release of the Python package, hls4ml, which has enabled porting models specified and trained using Python ML libraries to register transfer level (RTL) code. So far, the primary end targets have been commercial field-programmable gate arrays (FPGAs) or synthesized custom blocks on application specific integrated circuits (ASICs). However, recent developments in open-source embedded FPGA (eFPGA) frameworks now provide an alternate, more flexible pathway for implementing ML models in hardware. These customized eFPGA fabrics can be integrated as part of an overall chip design. In general, the decision between a fully custom, eFPGA, or commercial FPGA ML implementation will depend on the details of the end-use application. In this work, we explored the parameter space for eFPGA implementations of fully-connected neural network (fcNN) and boosted decision tree (BDT) models using the task of neutron/gamma classification with a specific focus on resource efficiency. We used data collected using an AmBe sealed source incident on Stilbene, which was optically coupled to an OnSemi J-series silicon photomultiplier (SiPM) to generate training and test data for this study. We investigated relevant input features and the effects of bit-resolution and sampling rate as well as trade-offs in hyperparameters for both ML architectures while tracking total resource usage. The performance metric used to track model performance was the calculated neutron efficiency at a gamma leakage of 10 -3 . The results of the study will be used to aid the specification of an eFPGA fabric, which will be integrated as part of a test chip.

47 OTHER INSTRUMENTATION↗

NASA NTRS1992

Overview of NASA supported Stirling thermodynamic loss research

NASA is funding research to characterize Stirling machine thermodynamic losses. NASA's primary goal is to improve Stirling design codes to support engine development for space and terrestrial power. However, much of the fundamental data is applicable to Stirling cooling and heat pump applications. The research results are reviewed. Much was learned about oscillating flow hydrodynamics, including laminar/turbulent transition, and tabulated data was documented for further analysis. Now, with a better understanding of the oscillating flow field, it is time to begin measuring the effects of oscillating flow and oscillating pressure level on heat transfer in heat exchanger flow passages and in cylinders.

Tew, Roy C.↗

NASA NTRS1992

Overview of NASA supported Stirling thermodynamic loss research

Tew, Roy C.↗

NASA NTRSDate not supplied

Eleven Countries, an Integrated Spacecraft: the Story of International Collaboration that Built the Orion Spacecraft and Powered the Success of the Artemis I Mission

The quest to return humans to the Moon in the next step towards humanity's exploration of space is more alive than ever. After a great deal of achievements, failures, and lessons learned, the Artemis I mission set o to the Moon on November 16, 2022, with the goal of testing a new rocket, the Space Launch System, and a new spacecraft, Orion: designed, assembled, and tested across two continents, and 11 countries. Behind this mission, decades of experience with the International Space Station, Autonomous Transfer Vehicle operations, and many other program collaborations built the know-how on how to succeed together in the toughest environment | deep space. The Artemis I mission proved to be an incredible success, meeting 161 total mission objectives, including 21 developed during the flight based on outperforming spacecraft. It was also a case-study in international collaboration, given that ESA, NASA, and industry partners Airbus and Lockheed Martin for the first time had to design, build, test, and fly a fully integrated human-rated spacecraft, with most critical functions dependent and interconnected across U.S. and European systems. The U.S.-built Orion Crew Module and Crew Module Adapter and European-built European Service Module (ESM) shared critical interfaces and commodities, from propulsion, avionics, active/passive thermal, electrical power generation, storage and distribution to the software that managed it all. In this paper, we will describe relevant aspects of the integrated spacecraft design, providing context for the challenges that the team faced in all phases required to get Orion ready to fly, and provide a direct account of how the joint team formed, trained, and supported the operations of the successful Artemis I mission. We will also explore the evolution of the partnerships, given that these allow a multi-national e ort to sustain the program production, share costs, leverage a broader base of engineering expertise, and build more diverse capabilities over the long haul to support the Artemis goals and objectives. Lastly, we will cover critical lessons learned and how the Orion Program has implemented these in preparation of the next Artemis missions to repeat the success of Artemis I. The purpose of this paper is to document knowledge we gained and lessons we learned through the development of an integrated Orion spacecraft, since it is imperative we build on this now, at the dawn of the Artemis Program, an international endeavor to push human space exploration.

Deep Space Exploration↗

DOE OSTI2026

Enabling accurate chemical modeling of shocked energetic materials using a machine learning interatomic potential

Understanding the complex chemistry of organic materials under dynamic compression is important for many applications, but it is challenging due to the large number of reactions occurring at various time scales. Here, in this study, we develop a machine learning potential based on Chebyshev polynomials to study the insensitive energetic material 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) under detonation. We discuss a strategy for constructing diverse training data needed to capture the complex chemistry of TATB. Our potential demonstrates strong transferability across a wide range of thermodynamic conditions and other explosives, enabling accurate and reliable chemical modeling of organic materials under extreme conditions. The efficiency of our approach allows for simulations over several nanoseconds and for large system sizes, providing detailed insights into the chemistry of shocked TATB. The model accurately reproduces experimental Hugoniot equation of state data, and our simulations reveal the rapid formation of nitrogen-rich carbon clusters following shock. The methods and datasets developed here offer a robust framework for accurate chemical modeling of other shocked organic energetic materials.

Chemistry↗

DOE OSTI2024

RuralAI in Tomato Farming: Integrated Sensor System, Distributed Computing, and Hierarchical Federated Learning for Crop Health Monitoring

Precision horticulture is evolving due to scalable sensor deployment and machine learning (ML) integration. These advancements boost the operational efficiency of individual farms, balancing the benefits of analytics with autonomy requirements. However, given concerns that affect wide geographic regions (e.g., climate change), there is a need to apply models that span farms. Federated learning (FL) has emerged as a potential solution. FL enables decentralized ML across different farms without sharing private data. Traditional FL assumes simple two-tier network topologies and, thus, falls short of operating on more complex networks found in real-world agricultural scenarios. Networks vary across crops and farms and encompass various sensor data modes, extending across jurisdictions. New hierarchical FL (HFL) approaches are needed for more efficient and context-sensitive model sharing, accommodating regulations across multiple jurisdictions. Here, we present the RuralAI architecture deployment for tomato crop monitoring, featuring sensor field units for soil, crop, and weather data collection. HFL with personalization is used to offer localized and adaptive insights. Model management, aggregation, and transfers are facilitated via a flexible approach, enabling seamless communication between local devices, edge nodes, and the cloud.

60 APPLIED LIFE SCIENCES↗