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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Role of Intermolecular Interactions in Deep Eutectic Solvents for CO 2 Capture: Vibrational Spectroscopy and Quantum Chemical Studies

Recent research and reviews on CO 2 capture methods, along with advancements in industry, have highlighted high costs and energy-intensive nature as the primary limitations of conventional direct air capture and storage (DACS) methods. In response to these challenges, deep eutectic solvents (DESs) have emerged as promising absorbents due to their scalability, selectivity, and lower environmental impact compared to other absorbents. However, the molecular origins of their enhanced thermal stability and selectivity for DAC applications have not been explored before. Therefore, the current study focuses on a comprehensive investigation into the molecular interactions within an alkaline DES composed of potassium hydroxide (KOH) and ethylene glycol (EG). Combining Fourier transform infrared (FT-IR) and quantum chemical calculations, the study reports structural changes and intermolecular interactions induced in EG upon addition of KOH and its implications on CO 2 capture. Experimental and computational spectroscopic studies confirm the presence of noncovalent interactions (hydrogen bonds) within both EG and the KOH-EG system and point to the aggregation of ions at higher KOH concentrations. Additionally, molecular electrostatic potential (MESP) surface analysis, natural bond orbital (NBO) analysis, quantum theory of atoms-in-molecules (QTAIM) analysis, and reduced density gradient-noncovalent interaction (RDG-NCI) plot analysis elucidate changes in polarizability, charge distribution, hydrogen bond types, noncovalent interactions, and interaction strengths, respectively. Evaluation of explicit and hybrid models assesses their effectiveness in representing intermolecular interactions. This research enhances our understanding of molecular interactions in the KOH-EG system, which are essential for both the absorption and desorption of CO 2 . The study also aids in predicting and selecting DES components, optimizing their ratios with salts, and fine-tuning the properties of similar solvents and salts for enhanced CO 2 capture efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Interface and Thermophysical Properties of R 32 Refrigerant

Driven by the urgent demand for efficient cooling in microelectronics and advanced thermal management systems, difluoromethane (R32/CH 2 F 2 ) has emerged as a promising candidate owing to its favorable thermophysical properties, including high heat transfer efficiency and low viscosity. While bulk properties such as density, viscosity, and thermal conductivity have been widely studied, interfacial properties, including surface tension and interfacial thickness, remain comparatively underexplored, despite their importance in phase-transition dynamics. Here, we perform molecular dynamics (MD) simulations from 180 to 300 K using an optimized transferable force field for fluoropropenes with enhanced electrostatics to assess both bulk and interfacial behavior of R32. Simulations reproduced density within ±2.1%, viscosity within 3.05%, and thermal conductivity within 7.41% of NIST reference data. Heat capacities (C p and C v ) were predicted within 5%. For interfacial properties, surface tension trends were reproduced within 13.58% deviation, and the vapor–liquid coexistence curve closely matched reference data, yielding a critical temperature of 345.7 K (1.6% deviation) and a critical density of 0.397 g/cm 3 (6.4% deviation). Importantly, the vapor–liquid interface exhibited pronounced temperature-dependent broadening across the 180–290 K range. This behavior correlates with increasing molecular kinetic energy, reduction in intermolecular cohesive interactions, and a progressive loss of preferential dipole alignment, which collectively enhance thermal fluctuation amplitudes at elevated temperatures. These validated results provide predictive molecular-level insights, particularly for interfacial properties that remain less characterized. By reducing property prediction errors in key parameters such as critical temperature, this work provides reliable inputs for heat-exchanger and system models. Such correlations can support optimized component sizing, improved performance, and reduced refrigerant charge. Beyond R32, the methodology offers a transferable framework for blended and next-generation low-GWP refrigerants, contributing to sustainable thermal management aligned with the 2027 EU F-Gas regulation and 2030 Kigali Amendment.

Fluids↗
DOE OSTI2022

LIQUID AIR COMBINED CYCLE

Hybrid integration of thermal energy storage with gas turbines can provide compact, cost-effective, long-duration energy storage while reducing the fuel consumption of dispatchable resources needed for the reliability of renewable dominant electric grids. The Liquid Air Combined Cycle™ (LACC) is a hybrid energy storage system using cryogenic liquid air as an energy storage medium and gas turbine exhaust heat to extract stored energy. The storage tank is charged using liquefaction processes employing electric motor-driven compressors to pressurize the air, heat exchangers to reject heat of compression, and expanders to reduce the temperature and liquefy the air. Proven cryogenic refrigeration processes can be selected based on capital cost (per kg/s of liquid air produced), efficiency (kJ per kg of air produced), and operating factors including startup speed and load following capability. This paper presents results of studies undertaken for the U.S. Department of Energy to evaluate cost and performance tradeoffs for charge and discharge cycle components, optimize charge and discharge cycles, and assess the techno-economic potential of LACC technology.

Conlon, William↗
DOE OSTI2022

pnnl/MCOR

Microgrid Component Optimization for Resiliency Tool (MCOR) The MCOR tool provides several viable microgrid configurations that can meet the resilience goals of a site and maximize economic benefits.

Central, PNNL Developer↗
DOE OSTI2024

Development and Evaluation of a Novel Fuel Injector Design Method using Hybrid-Additive Manufacturing (Final Report)

The widespread application of metal additive manufacturing (AM) technologies has enabled exploration of complex design spaces to achieve optimally performing components. Current optimization techniques make use of several advanced methods to provide designs that are superior to existing versions. However, they seldom discuss the manufacturability of the optimal designs. The objective of this project was to develop a design optimization tool that simultaneously optimizes fuel injector hardware and the combustor flow field with optimization functions and constraints that consider both combustor performance and manufacturability using advanced AM methods and post-processing. In this way, the resultant hardware design is inherently imbued with our most advanced knowledge of combustion physics and AM methods from its conception.

36 MATERIALS SCIENCE↗
DOE OSTI2025

MCOR User Guide

User guide for the MCOR software package which is currently publicly hosted on Github (https://github.com/pnnl/MCOR). The Microgrid Component Optimization for Resilience (MCOR) tool simulates the operation of a renewable energy, battery, and back-up generator microgrid under a large range of outage conditions to understand how a potential system can meet the resilience goals of a particular site. It is an open-source, command line, Python-based tool that produces an output Excel spreadsheet as well as several types of plots to enable a user to compare different microgrid system sizes and costs. It is intended for high-level system planning and opportunity identification, and not for detailed electric system modeling and design. The tool includes a range of input parameters that can be adjusted or tuned to provide a more custom analysis as needed.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Evaluating the resilience benefits of marine energy in microgrids

Marine energy resources could promote clean energy and resilience of coastal and island microgrids, and thus, these applications are a key future market for marine energy development. To demonstrate these benefits, this paper illustrates how inclusion of wave resources into energy resilience solutions can improve overall grid efficiency and sustainability, as well as maintain electricity supply during grid outages. The paper describes a case study evaluation of the potential to add wave energy to the Moloka'i grid as Hawaii strives to meet a 100% clean energy target. The Microgrid Component Optimization for Resilience tool is used to simulate operation in off-grid conditions and size different combinations of wave, solar photovoltaic (PV), wind, storage, and fuel resources required to meet resilience objectives. This research investigates how including wave resources in a microgrid contributes to reducing or eliminating biofuel generation, producing a zero-greenhouse gas emission profile in the latter case, and avoiding the over-sizing of PV and battery systems to accommodate periods of unavailability or high demand. Insight from this paper supports the value proposition of wave resources for future markets and informs the relationship between marine generators and microgrids or isolated grids.

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

GIGA-Lens: Fast Bayesian Inference for Strong Gravitational Lens Modeling

We present GIGA-Lens: a gradient-informed, GPU-accelerated Bayesian framework for modeling strong gravitational lensing systems, implemented in TensorFlow and JAX. The three components, optimization using multistart gradient descent, posterior covariance estimation with variational inference, and sampling via Hamiltonian Monte Carlo, all take advantage of gradient information through automatic differentiation and massive parallelization on graphics processing units (GPUs). We test our pipeline on a large set of simulated systems and demonstrate in detail its high level of performance. The average time to model a single system on four Nvidia A100 GPUs is 105 s. The robustness, speed, and scalability offered by this framework make it possible to model the large number of strong lenses found in current surveys and present a very promising prospect for the modeling of ${ \mathcal O }({10}^{5})$ lensing systems expected to be discovered in the era of the Vera C. Rubin Observatory, Euclid, and the Nancy Grace Roman Space Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1972

Five-centimeter diameter ion thruster development

All system components were tested for endurance and steady state and cyclic operation. The following results were obtained: acceleration system (electrostatic type), 3100 hours continuous running; acceleration system (translation type), 2026 hours continuous running; cathode-isolator-vaporizer assembly, 5000 hours continuous operation and 190 restart cycles with 1750 hours operation; mercury expulsion system, 5000 hours continuous running; and neutralizer, 5100 hours continuous operation. The results of component optimization studies such as neutralizer position, neutralizer keeper hole, and screen grid geometry are included. Extensive mapping of the magnet field within and immediately outside the thruster are shown. A technique of electroplating the molybdenum accelerator grid with copper to study erosion patterns is described. Results of tests being conducted to more fully understand the operation of the hollow cathode are also given. This type of 5-cm thruster will be space tested on the Communication Technology Satellite in 1975.

Weigand, A. J.↗
NASA NTRS1977

Industrial ion source technology

Plasma probe surveys were conducted in a 30-cm source to verify that the uniformity in the ion beam is the result of a corresponding uniformity in the discharge-chamber plasma. A 15 cm permanent magnet multipole ion source was designed, fabricated, and demonstrated. Procedures were investigated for texturing a variety of seed and surface materials for controlling secondary electron emission, increasing electron absorption of light, and improved attachment of biological tissue for medical implants using argon and tetrafluoromethane as the working gases. The cross section for argon-argon elastic collisions in the ion-beam energy range was calculated from interaction potentials and permits calculation of beam interaction effects that can determine system pumping requirements. The data also indicate that different optimizations of ion-beam machines will be advantageous for long and short runs, with 1 mA-hr/cm being the rough dividing line for run length. The capacity to simultaneously optimize components in an ion-beam machine for a single application, a capacity that is not evident in competitive approaches such as diode sputtering is emphasized.

Kaufman, H. R.↗
NASA NTRS1981

On variable hydrostatic transmission for road vehicles, powered by supply of fluid at constant pressure

Various hydrostatic power transmission systems for automotive applications with power supply at constant pressure and unrestricted flow and with a Volvo Flygmotor variable displacement motor as the principal unit were investigated. Two most promising concepts were analyzed in detail and their main components optimized for minimum power loss at the EPA Urban Driving Cycle. The best fuel consumption is less than 10 lit. per 100 kM for a 1542 kG vehicle with a hydrostatic motor and a two speed gear box in series (braking power not recovered). Realistic system pressure affects the fuel consumption just slightly, but the package volume/weight drastically. Back pressure increases losses significantly. Special attention was paid to description of the behavior and modeling of the losses of variable displacement hydrostatic machines.

Magi, M.↗
NASA NTRS1992

Activities of the NASA/Marshall Space Flight Center pump stage technology team

In order to advance rocket propulsion technology, the Consortium for Computational Fluid Dynamics (CFD) Application in Propulsion Technology has been formed at Marshall Space Flight Center (MSFC). The Consortium consists of three Teams: the turbine stage team, the pump stage team (PST), and the combustion devices team. The PST has formulated and is implementing a plan for pump technology development whose end product will be validated CFD codes suitable for application to pump components, test data suitable for validating CFD codes, and advanced pump components optimized using CFD codes. The PST's work during the fall of 1991 and the winter and spring of 1992 is discussed in this paper. This work is highlighted by CFD analyses of an advanced impeller design and collection of laser two-focus velocimeter data for the Space Shuttle Main Engine High Pressure Fuel Pump impeller.

Garcia, R.↗
NASA NTRS1993

Derated ion thruster development status

A 30 cm diameter xenon ion thruster is under development at NASA to provide an ion propulsion option for auxiliary and primary propulsion on missions of national interest. Specific efforts include thruster design optimizations, component life testing and validation, vibration testing, and performance characterizations. Under this program, the ion thruster will be brought to engineering model development status. This paper discusses the activities and preliminary test results to develop a 30 cm engineering model thruster.

Patterson, Michael J.↗
NASA NTRS1990

The Third Air Force/NASA Symposium on Recent Advances in Multidisciplinary Analysis and Optimization

The third Air Force/NASA Symposium on Recent Advances in Multidisciplinary Analysis and Optimization was held on 24-26 Sept. 1990. Sessions were on the following topics: dynamics and controls; multilevel optimization; sensitivity analysis; aerodynamic design software systems; optimization theory; analysis and design; shape optimization; vehicle components; structural optimization; aeroelasticity; artificial intelligence; multidisciplinary optimization; and composites.

V.B. Venkayya↗
NASA NTRS1993

Derated ion thruster development status

A 30 cm diameter xenon ion thruster is under development at NASA to provide an ion propulsion option for auxiliary and primary propulsion on missions of national interest. Specific efforts include thruster design optimizations, component life testing and validation, vibration testing, and performance characterizations. Under this program, the ion thruster will be brought to engineering model development status. The activities and preliminary test results to develop a 30 cm engineering model thruster are discussed.

Patterson, Michael J.↗
NASA NTRS1993

Performance of the NASA 30 cm Ion Thruster

A 30 cm diameter xenon ion thruster is under development at NASA to provide an ion propulsion option for missions of national interest, and is being proposed for use on the USAF/TRW Space Surveillance, Tracking and Autonomous Repositioning (SSTAR) platform to validate ion propulsion. The thruster incorporates innovations in design, materials, and fabrication techniques compared to those employed in conventional ion thrusters. Specific development efforts include thruster design optimizations, component life testing and validation, vibration testing, and performance characterizations. Under this test program, the ion thruster will be brought to engineering model development status. This paper discusses the performance and power throttling test data for the NASA 30 cm diameter xenon ion thruster over an input power envelope of 0.7 to 4.9 kW, and corresponding thruster lifetime expectations.

Patterson, Michael J.↗
NASA NTRS1995

The 2.3 kW Ion Thruster Wear Test

A 30-cm diameter xenon ion thruster is under development at NASA to provide an ion propulsion option for auxiliary and primary propulsion on missions of national interest. Specific efforts include thruster design optimizations, component life testing and validation, and performance characterizations. Under this program, the ion thruster will be brought to engineering model development status. This paper describes the results of a 2.3-kW 2000-hour wear test performed to identify life limiting phenomena, measure the performance and characterize the operation of the thruster, and obtain wear, erosion, and surface contamination data. These data are being using as a data base for proceeding with additional life validation tests, and to provide input to flight thruster design requirements.

Parkes, James↗