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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Electronic structure prediction of multi-million atom systems through uncertainty quantification enabled transfer learning

The ground state electron density — obtainable using Kohn-Sham Density Functional Theory (KS-DFT) simulations — contains a wealth of material information, making its prediction via machine learning (ML) models attractive. However, the computational expense of KS-DFT scales cubically with system size which tends to stymie training data generation, making it difficult to develop quantifiably accurate ML models that are applicable across many scales and system configurations. Here, we address this fundamental challenge by employing transfer learning to leverage the multi-scale nature of the training data, while comprehensively sampling system configurations using thermalization. Our ML models are less reliant on heuristics, and being based on Bayesian neural networks, enable uncertainty quantification. We show that our models incur significantly lower data generation costs while allowing confident — and when verifiable, accurate — predictions for a wide variety of bulk systems well beyond training, including systems with defects, different alloy compositions, and at multi-million-atom scales. Moreover, such predictions can be carried out using only modest computational resources.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

The high intensity solar cell: Key to low cost photovoltaic power

The design considerations and performance characteristics of the 'high intensity' (HI) solar cell are presented. A high intensity solar system was analyzed to determine its cost effectiveness and to assess the benefits of further improving HI cell efficiency. It is shown that residential sized systems can be produced at less than $1000/kW peak electric power. Due to their superior high intensity performance characteristics compared to the conventional and VMJ cells, HI cells and light concentrators may be the key to low cost photovoltaic power.

Sater, B. L.↗
NASA NTRS1977

Closed-cycle gas dynamic laser design investigation

A conceptual design study was made of a closed cycle gas-dynamic laser to provide definition of the major components in the laser loop. The system potential application is for long range power transmission by way of high power laser beams to provide satellite propulsion energy for orbit changing or station keeping. A parametric cycle optimization was conducted to establish the thermodynamic requirements for the system components. A conceptual design was conducted of the closed cycle system and the individual components to define physical characteristics and establish the system size and weight. Technology confirmation experimental demonstration programs were outlined to develop, evaluate, and demonstrate the technology base needed for this closed cycle GDL system.

Ketch, G. W.↗
NASA NTRS1996

Integrated Oxygen-Recovery System

System for revitalizing breathing air in enclosed environment converts carbon dioxide and water to oxygen and methane. Chemical conversions take place in reactor module containing solid-metal-cathode water electrolyzer integrated with Sabatier reactor. According to design estimates, fully developed version of system sized to maintain breathable air for four persons, occupies 67 percent less volume, weighs 60 percent less, and consumes 3.4 percent less power than system of same capacity in which electrolyzer and Sabatier reactor are distinct components. Although oxygen primary desired end product in system originally contemplated, product methane also of value in industrial version of system.

Schubert, F. H.↗
NASA NTRS2016

Z-2 Architecture Description and Requirements Verification Results

The Z-2 Prototype Planetary Extravehicular Space Suit Assembly is a continuation of NASA's Z series of spacesuits. The Z-2 is another step in NASA's technology development roadmap leading to human exploration of the Martian surface. The suit was designed for maximum mobility at 8.3 psid, reduced mass, and to have high fidelity life support interfaces. As Z-2 will be man-tested at full vacuum in NASA JSC's Chamber B, it was manufactured as Class II, making it the most flight-like planetary walking suit produced to date. The Z-2 suit architecture is an evolution of previous EVA suits, namely the ISS EMU, Mark III, Rear Entry I-Suit and Z-1 spacesuits. The suit is a hybrid hard and soft multi-bearing, rear entry spacesuit. The hard upper torso (HUT) is an all-composite structure and includes a 2-bearing rolling convolute shoulder with Vernier sizing mechanism, removable suit port interface plate (SIP), elliptical hemispherical helmet and self-don/doff shoulder harness. The hatch is a hybrid aluminum and composite construction with Apollo style gas connectors, custom water pass-thru, removable hatch cage and interfaces to primary and auxiliary life support feed water bags. The suit includes Z-1 style lower arms with cam brackets for Vernier sizing and government furnished equipment (GFE) Phase VI gloves. The lower torso includes a telescopic waist sizing system, waist bearing, rolling convolute waist joint, hard brief, 2 bearing soft hip thigh, Z-1 style legs with ISS EMU style cam brackets for sizing, and conformal walking boots with ankle bearings. The Z-2 Requirements Verification Plan includes the verification of more than 200 individual requirements. The verification methods include test, analysis, inspection, demonstration or a combination of methods. Examples of unmanned requirements include suit leakage, proof pressure testing, operational life, mass, isometric man-loads, sizing adjustment ranges, internal and external interfaces such as in-suit drink bag, partial pressure relief valve, purge valve, donning stand and ISS Body Restraint Tether (BRT). Examples of manned requirements include verification of anthropometric range, suit self-don/doff, secondary suit exit method, donning stand self-ingress/egress and manned mobility covering eight functional tasks. The eight functional tasks include kneeling with object pick-up, standing toe touch, cross-body reach, walking, reach to the SIP and helmet visor. This paper will provide an overview of the Z-2 design. Z-2 requirements verification testing was performed with NASA at the ILC Houston test facility. This paper will also discuss pre-delivery manned and unmanned test results as well as analysis performed in support of requirements verification.

Graziosi, Dave↗
NASA NTRS1982

Performance and operational economics estimates for a coal gasification combined-cycle cogeneration powerplant

A performance and operational economics analysis is presented for an integrated-gasifier, combined-cycle (IGCC) system to meet the steam and baseload electrical requirements. The effect of time variations in steam and electrial requirements is included. The amount and timing of electricity purchases from sales to the electric utility are determined. The resulting expenses for purchased electricity and revenues from electricity sales are estimated by using an assumed utility rate structure model. Cogeneration results for a range of potential IGCC cogeneration system sizes are compared with the fuel consumption and costs of natural gas and electricity to meet requirements without cogeneration. The results indicate that an IGCC cogeneration system could save about 10 percent of the total fuel energy presently required to supply steam and electrical requirements without cogeneration. Also for the assumed future fuel and electricity prices, an annual operating cost savings of 21 percent to 26 percent could be achieved with such a cogeneration system. An analysis of the effects of electricity price, fuel price, and system availability indicates that the IGCC cogeneration system has a good potential for economical operation over a wide range in these assumptions.

Nainiger, J. J.↗
DOE OSTI2026

One-Step Relativistic Driven Similarity Renormalization Group Multireference Perturbation Theory

We present an efficient implementation of a one-step relativistic second-order multireference perturbation theory based on the multireference driven similarity renormalization group (MR-DSRG) using the exact two-component (X2C) Hamiltonian, which we denote X2C-DSRG-MRPT2. We show that the X2C-DSRG-MRPT2 method can accurately capture spin–orbit coupling (SOC) effects in the electronic structure of strongly correlated systems containing elements across the periodic table. We further demonstrate that the X2C-DSRG-MRPT2 method, through its variational treatment of SOC effects, can yield spin–orbit splittings with mean absolute percentage errors consistently below 7% with respect to experimental values for systems containing up to sixth row elements. With its modest computational scaling (fourth power in system size for the perturbative step) and high accuracy, X2C-DSRG-MRPT2 provides a promising avenue for the routine treatment of relativistic effects in strongly correlated molecular systems.

Hamiltonians↗
NASA NTRS2008

MRO SOW Daily Script

The MRO SOW daily script (wherein "MRO" signifies "Mars Reconnaissance Orbiter" and "SOW" signifies "sequence systems engineer of the week") is a computer program that automates portions of the MRO daily SOW procedure, which includes checking file-system sizes and automated sequence processor (ASP) log files. The MRO SOW daily script effects clear reporting of (1) the status of, and requirements imposed on, the file system and (2) the ASP log files.

Fisher, Forest E.↗
NASA NTRS1975

One man electrochemical air revitalization system

An integrated water vapor electrolysis (WVE) hydrogen depolarized CO2 concentrator (HDC) system sized for one man support over a wide range of inlet air conditions was designed, fabricated, and tested. Data obtained during 110 days of testing verified that this system can provide the necessary oxygen, CO2 removal, and partial humidity control to support one man (without exceeding a cabin partial pressure of 3.0 mmHg for CO2 and while maintaining a 20% oxygen level), when operated at a WVE current of 50 amperes and an HDC current of 18 amperes. An evaluation to determine the physical properties of tetramethylammonium bicarbonate (TMAC) and hydroxide was made. This provides the necessary electrolyte information for designing an HDC cell using TMAC.

Huddleston, J. C.↗
NASA NTRS2011

NASA Tech Briefs, December 2011

Topics covered include: 1) SNE Industrial Fieldbus Interface; 2) Composite Thermal Switch; 3) XMOS XC-2 Development Board for Mechanical Control and Data Collection; 4) Receiver Gain Modulation Circuit; 5) NEXUS Scalable and Distributed Next-Generation Avionics Bus for Space Missions; 6) Digital Interface Board to Control Phase and Amplitude of Four Channels; 7) CoNNeCT Baseband Processor Module; 8) Cryogenic 160-GHz MMIC Heterodyne Receiver Module; 9) Ka-Band, Multi-Gigabit-Per-Second Transceiver; 10) All-Solid-State 2.45-to-2.78-THz Source; 11) Onboard Interferometric SAR Processor for the Ka-Band Radar Interferometer (KaRIn); 12) Space Environments Testbed; 13) High-Performance 3D Articulated Robot Display; 14) Athena; 15) In Situ Surface Characterization; 16) Ndarts; 17) Cryo-Etched Black Silicon for Use as Optical Black; 18) Advanced CO2 Removal and Reduction System; 19) Correcting Thermal Deformations in an Active Composite Reflector; 20) Umbilical Deployment Device; 21) Space Mirror Alignment System; 22) Thermionic Power Cell To Harness Heat Energies for Geothermal Applications; 23) Graph Theory Roots of Spatial Operators for Kinematics and Dynamics; 24) Spacesuit Soft Upper Torso Sizing Systems; 25) Radiation Protection Using Single-Wall Carbon Nanotube Derivatives; 26) PMA-PhyloChip DNA Microarray to Elucidate Viable Microbial Community Structure; 27) Lidar Luminance Quantizer; 28) Distributed Capacitive Sensor for Sample Mass Measurement; 29) Base Flow Model Validation; 30) Minimum Landing Error Powered-Descent Guidance for Planetary Missions; 31) Framework for Integrating Science Data Processing Algorithms Into Process Control Systems; 32) Time Synchronization and Distribution Mechanisms for Space Networks; 33) Local Estimators for Spacecraft Formation Flying; 34) Software-Defined Radio for Space-to-Space Communications; 35) Reflective Occultation Mask for Evaluation of Occulter Designs for Planet Finding; and 36) Molecular Adsorber Coating

Source record↗
DOE OSTI2025

An ASME-Compliant Helium-4 Evaporation Refrigerator for the SpinQuest Experiment

This paper presents the design, safety basis, and commissioning results of a 1 K liquid helium-4 (4He) evaporation refrigerator developed for the Fermilab SpinQuest Experiment (E1039). The system represents the first high power helium evaporation refrigerator operated in a fixed target scattering experiment at Fermilab and was engineered to comply with the Fermilab ES&H Manual (FESHM) requirements governing pressure vessels, piping, cryogenic systems, and vacuum vessels. The design is mapped to ASME B31.3 (Process Piping) and the ASME Boiler and Pressure Vessel Code (BPVC) for pressure boundary integrity and overpressure protection, with documented compliance to FESHM Chapters 5031 (Pressure Vessels), 5031.1 (Piping Systems), and 5033 (Vacuum Vessels). This work documents the methodology used to reach compliance and approval for the 4He evaporation refrigerator at Fermilab which the field lacks. Design considerations specific to the high radiation target-cave environment including remotely located instrumentation approximately 20 m from the cryostat are summarized, together with the relief-system sizing methodology used to accommodate transient heat loads from dynamic nuclear polarization microwaves and the high-intensity proton beam. Commissioning data from July 2024 confirms that the system satisfies all thermal performance and safety objectives.

Roberts, Jordan D. [Virginia U.]↗
DOE OSTI2024

Stability of fractional Chern insulators with a non-Landau level continuum limit

The stability of fractional Chern insulators is widely believed to be predicted by the resemblance of their single-particle spectra to Landau levels. Here we investigate the scope of this geometric stability hypothesis by analyzing the stability of a set of fractional Chern insulators that explicitly do not have a Landau level continuum limit. By computing the many-body spectra of Laughlin states in a generalized Hofstadter model, we analyze the relationship between single-particle metrics, such as trace inequality saturation, and many-body metrics, such as the magnitude of the many-body and entanglement gaps. We show numerically that the geometric stability hypothesis holds for Chern bands that are not continuously connected to Landau levels, as well as conventional Chern bands, albeit often requiring larger system sizes to converge for these configurations.

2-dimensional systems↗
DOE OSTI2025

Feature review of photovoltaic modeling software utilizing blind performance assessment

While confidence in photovoltaic (PV) modeling software has always been essential, the rapid pace of new PV plant developments makes accuracy and credibility more critical than ever. Independent assessments, particularly through blind modeling comparisons, are therefore necessary to ensure unbiased benchmarking across PV modeling software. Previous studies have been limited by a narrow range of models compared, anonymized results, or system size. This study presents results from the first-ever onymous blind modeling comparison, evaluated using both lab- and utility-scale fixed-tilt, monofacial, south-facing systems at sub-hourly time intervals. Seven commercially used PV software tools were compared: 3E SynaptiQ, PlantPredict, PVsyst, RatedPower, SAM, SolarFarmer, and Solargis Evaluate. Predictions were submitted directly by software representatives, providing unique insights into each software’s implementation and resulting prediction behavior. Notable features, including plane-of-array (POA) transposition model, module temperature model, shading model, and performance model were analyzed and compared. Four summary tables compile these features of the software, serving as a resource to help users understand the methodological differences and select the most suitable software for their applications. The software tools show deviations from mean error in annual yield up to 2.5 % in the lab-scale system, increasing to 6.0 % for the utility-scale system. These differences arise from a combination of user decisions and the inherent behavior of the software, indicating the need for continuous and rigorous validation of modeling methods using these software tools against complex, real-world systems.

14 SOLAR ENERGY↗
NASA NTRS1972

Propulsion system requirements for a multi-mission nuclear electric spacecraft.

The performance of nuclear electric propulsion (NEP) systems has been evaluated for a wide variety of missions in an attempt to establish the commonality of NEP system requirements. Emphasis was given to those requirements and system characteristics which serve as guidelines for current technology development programs. Various interactions and tradeoffs between NEP system and mission parameters are described. The results show that the most significant factors in selecting NEP system size are launch mode (direct or spiral escape) and to a lesser extent, launch vehicle capability. Other factors such as mission and payload have little influence, thus allowing one NEP system to be used for many missions. The results indicated that a 100 kWe NEP would be suitable for most direct escape missions and a 250 kWe NEP system would be suitable for more demanding missions that use the spiral escape mode.

Schaupp, R. W.↗
NASA NTRS2015

Microlith-Based Catalytic Reactor for Air Quality and Trace Contaminant Control Applications

Traditionally, gaseous compounds such as methane, carbon monoxide, and trace contaminants have posed challenges for maintaining clean air in enclosed spaces such as crewed spacecraft cabins as they are hazardous to humans and are often difficult to remove by conventional adsorption technology. Catalytic oxidizers have provided a reliable and robust means of disposing of even trace levels of these compounds by converting them into carbon dioxide and water. Precision Combustion, Inc. (PCI) and NASA - Marshall (MSFC) have been developing, characterizing, and optimizing high temperature catalytic oxidizers (HTCO) based on PCI's patented Microlith® technology to meet the requirements of future extended human spaceflight explorations. Current efforts have focused on integrating the HTCO unit with a compact, simple recuperative heat exchanger to reduce the overall system size and weight while also reducing its energy requirements. Previous efforts relied on external heat exchangers to recover the waste heat and recycle it to the oxidizer to minimize the system's power requirements; however, these units contribute weight and volume burdens to the overall system. They also result in excess heat loss due to the separation of the HTCO and the heat recuperator, resulting in lower overall efficiency. Improvements in the recuperative efficiency and close coupling of HTCO and heat recuperator lead to reductions in system energy requirements and startup time. Results from testing HTCO units integrated with heat recuperators at a variety of scales for cabin air quality control and heat melt compactor applications are reported and their benefits over previous iterations of the HTCO and heat recuperator assembly are quantified in this paper.

Vilekar, Saurabh↗
DOE OSTI2025

A Practical Framework for Simulating Time-Resolved Spectroscopy Based on a Real-Time Dyson Expansion

Time-resolved spectroscopy is a powerful tool for probing electron dynamics in molecules and solids, revealing transient phenomena on subfemtosecond time scales. The interpretation of experimental results is often enhanced by parallel numerical studies, which can provide insight and validation for experimental hypotheses. However, developing a theoretical framework for simulating time-resolved spectra remains a significant challenge. The most suitable approach involves the many-body nonequilibrium Green's function formalism, which accounts for crucial dynamical many-body correlations during time evolution. While these dynamical correlations are essential for observing emergent behavior in time-resolved spectra, they also render the formalism prohibitively expensive for large-scale simulations. Substantial effort has been devoted to reducing this computational cost─through approximations and numerical techniques─while preserving the key dynamical correlations. The ultimate goal is to enable first-principles simulations of time-dependent systems ranging from small molecules to large, periodic, multidimensional solids. Here, in this perspective, we outline key challenges in developing practical simulations for time-resolved spectroscopy, with a particular focus on Green's function methodologies. We highlight a recent advancement toward a scalable framework: the real-time Dyson expansion (RT-DE) [Phys. Rev. Lett. 2024, 133, 226902]. We introduce the theoretical foundation of RT-DE and discuss strategies for improving scalability, which have already enabled simulations of system sizes beyond the reach of previous fully dynamical approaches. We conclude with an outlook on future directions for extending RT-DE to first-principles studies of dynamically correlated, nonequilibrium systems.

Reeves, Cian C. [Univ. of California, Santa Barbar↗
DOE OSTI2025

Reducing the Cost of Energy Differences in Variational Monte Carlo with Spotlight Sampling

Here, we investigate an approximate sampling scheme that can significantly reduce the cost scaling of variational Monte Carlo when it is employed to predict the energy differences associated with local chemical changes. Inspired by side-chaining and embedding methods, this spotlight sampling approach adopts an approximate fragmented Hamiltonian and correlated sampling to reduce cost scaling to the point that it is essentially linear with system size, with the potential to go sublinear if certain conditions are met. In tests on bond stretching energies in alcohols, hydrogen dimer chains, and molecules with various degrees of π-system delocalization, we observe the anticipated linear scaling and an explicit cost crossover with standard variational Monte Carlo.

Bumann, Sonja [University of California, Berkeley,↗
NASA NTRS1998

VentureStar(trademark) Reaping the Benefits of the X-33 Program

Major X-33 flight hardware has been delivered, and assembly of the vehicle is well underway in anticipation of its flight test program commencing in the summer of 1999. Attention has now turned to the operational VentureStar(trademark), the first single-stage-to-orbit (SSTO) reusable launch vehicle. Activities are grouped under two broad categories: (1) vehicle development and (2) market/business planning, each of which is discussed. The mission concept is presented for direct payload delivery to the International Space Station and to low Earth orbit, as well as payload delivery with an upper stage to Geosynchronous Transfer Orbit (GTO) and other high energy orbits. System requirements include flight segment and ground segment. Vehicle system sizing and design status is provided including the application of X-33 traceability and lessons learned. Technology applications to the VentureStar(trademark) are described including the structure, propellant tanks, thermal protection system, aerodynamics, subsystems, payload bay and propulsion. Developing a market driven low cost launch services system for the 21 st Century requires traditional and non-traditional ways of being able to forecast the evolution of the potential market. The challenge is balancing both the technical and financial assumptions of the market. This involves the need to provide a capability to meet market segments that in some cases are very speculative, while at the same time providing the financial community with a credible revenue stream.

Sumrall, J.↗