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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

Critical Insights into Solvent Choice for High-Voltage Organosulfur Electrolytes

Organosulfur electrolytes are promising candidates for enabling high-voltage cathodes due to their superior oxidative stability compared to conventional carbonate-based systems. However, their viscous nature and inability to passivate the anode necessitate the use of passivating agents and diluents to achieve meaningful charge/discharge rates. In this study, we investigate the use of cyclic fluorinated carbonates (CFCs) to form passivating interphases on electrode surfaces, aiming to optimize electrolyte performance in high-voltage systems. Electrolyte formulations containing 1.2 M LiPF 6 in a CFC:sulfone:1,1,2,2-tetrafluoroethyl-2,2,3,3-tetrafluoropropylether (TTE) mixture (2/5/3 V/V/V) were assessed in full-cell configurations with a LiNi 0.8 Mn 0.1 Co 0.1 O 2 (FCG-NMC) cathode and a 4.5 V upper cutoff potential. The results reveal that 3-3-3-trifluoropropylene carbonate (TFPC) combined with ethyl methyl sulfone (EMS) optimizes electrolyte performance, resulting in lower resistance buildup and reduced capacity loss compared to commercial electrolytes. We also explore the failure mechanisms of several carbonate/sulfone mixtures and identify key considerations for electrolyte compatibility in high-voltage systems. TFPC enhances cycling stability and lowers overall cell resistance, while fluoroethylene carbonate (FEC) formulations, despite higher ionic conductivity, fail to form adequate passivation layers, leading to rapid capacity loss. Additionally, EMS provides superior physical properties that avoid common failure modes seen with other sulfone solvents like methyl isopropyl sulfone and tetramethylene sulfone. Furthermore, this study underscores the importance of carefully selecting passivating carbonates and sulfone solvents to improve electrolyte performance and expand the viability of high-voltage electrolyte systems.

LiNi0.8Mn0.1Co0.1O2 cathode↗
DOE OSTI2025

Stability, electronic quantum states, and magnetic interactions of Er 3+ ions in Ga 2 ⁢O 3

Here, we report an ab initio study of phase stability, defect formation, electronic structure, and multiple magnetic, Dzyaloshinskii-Moriya, optical, hyperfine, and crystal field interactions in erbium (Er)-doped wide band gap 𝛼- and 𝛽-gallium oxides (Ga 2 ⁢O 3 ), critically important to make a foundation for both optoelectronic and quantum information applications. The chemical, structural, mechanical, and dynamical stabilities of the pristine phases are confirmed from respective negative formation energies, negative cohesive energies, favorable elastic constants, and positive phonon frequencies. The phonon dispersions indicate that the Ga-O bonds are uniform in the 𝛼-phase, while they vary in the 𝛽-phase due to the anisotropic polyhedral movement. The defect formation energy analysis confirms that both Er-doped 𝛼- and 𝛽−Ga 2 ⁢O 3 prefer Er 3+ (neutral) state. The underestimated band gaps of the pristine phases from standard density functional theory (DFT) calculations as compared to experimental values are corrected by employing the hybrid functional calculations, resulting in the indirect band gaps of 5.21 eV in 𝛼−Ga 2 ⁢O 3 and 4.94 eV in 𝛽−Ga 2 ⁢O 3 . The site preference energy analysis indicates partial occupation of Er in the octahedral site of Ga. The anisotropic nature of hyperfine tensor coefficients of Er is similar in both phases, which may be due to the occupation of Er in the same octahedral Ga site. On the other hand, the calculated magnetic exchange interaction between two Er dopants is negative for 𝛼 and positive for 𝛽, indicating an antiferromagnetic (AFM) ground state in the former and a ferromagnetic (FM) ground state in the latter. Large values of Dzyaloshinskii-Moriya interactions (DMIs) are obtained along the 𝑥 direction in the 𝛼 and along the 𝑦 direction in the 𝛽. The large DMI may support exotic magnetic textures, a promising direction for spintronic applications. The analysis of dielectric constants and refractive indices of both pristine and Er-doped phases shows a good agreement with available experimental values. The calculated optical anisotropy is slightly higher in 𝛽 than those in 𝛼, which is due to the involvement of lower symmetry in 𝛽. The crystal field coefficients (CFCs) calculated from DFT are used to analyze 4⁢𝑓 multiplets and 4⁢𝑓 −4⁢𝑓 transitions. Thus calculated lowest energy level of the first excited state to the lowest energy level of the ground state is about 1.53 µ⁢m, which is in a good agreement with available experiments, and it falls within the quantum telecommunication wavelength range.

3-dimensional systems↗
DOE OSTI2023

Constraining Bedrock Groundwater Residence Times in a Mountain System with Environmental Tracer Observations and Bayesian Uncertainty Quantification: Modeling and Data Package

Groundwater residence times provide fundamental descriptions of hydrologic dynamics and mixing processes in mountainous watersheds. Yet, few observational datasets that can constrain groundwater residence times over broad timescales are available in high elevation mountain systems. Here we present field observations from May 2021 of dissolved noble gases (He, Ne, Ar, Kr, and Xe), Chloroflourcarbons (CFCs), Sulfurhexaflouride (SF6), and tritium (3H) sampled from the Pumphouse Lower Montane study site (wells PLM1, PLM6, and PLM7) within the East River Watershed, Colorado. The presented noble gas (PLM_noblegas_2021.csv) and environmental tracer (PLM_tracers_2021.csv) observation datasets, along with the associated modeling scripts, aide in quantifying groundwater residence times and recharge conditions in a high elevation mountain system. Furthermore, the modeling scripts quantify groundwater residence time and noble gas recharge condition uncertainties using a novel Markov-chain Monte Carlo approach. All data modeling scripts are written in the Python code.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Completion of initial reduced-order model for flammable refrigerant dispersal in residential spaces

Environmental regulations aimed at reducing global warming impacts of HVAC&R refrigerants have resulted in the phase-out of chlorofluorocarbons (CFCs) in 2010 and hydrochlorofluorocarbons (HCFCs) by 2030 in developed countries with additional restrictions on the use of hydrofluorocarbons (HFCs) set to take effect in 2036. Many of the remaining alternative refrigerants that have lower global warming potential (GWP) and that are suitable for use in HVAC&R systems (e.g., propane, difluoromethane) are flammable to some degree. Flammable refrigerants introduce new challenges and hazards to property and personal safety related to potential deflagration during system maintenance or due to leakage of the refrigerant accumulating in the conditioned space. Standards have been developed to set maximum charge limits for flammable refrigerants in HVAC&R systems; however, existing safety standards and codes still restrict their use. The bodies that maintain and update these codes need publicly available, science-based information to enable credible guidelines for setting safe charge limits for different flammable refrigerants in different HVAC&R applications. In 2016, the Alliance for Responsible Atmospheric Policy, the Air-Conditioning Heating and Refrigeration Institute (AHRI), ASHRAE, the U.S. Department of Energy (DOE), and the State of California began efforts to develop such information. As part of this effort, Oak Ridge National Laboratory (ORNL) began the current, ongoing project to examine imposed charge limits for flammable refrigerants and identify reasonable adjustments to these limits when found appropriate. Past tasks under this project have included development of experimentally vetted, computational fluid dynamics (CFD) simulation approaches to study the results of leakage of flammable refrigerants from various HVAC&R systems into different types of commercial and residential spaces. In this report, we discuss recent efforts to develop a predictive model of the flammable volume fraction and accumulated refrigerant mass in a single-room residential space resulting from the leak of a flammable refrigerant from a small room air conditioning (RAC) unit. The eventual goal is development of a model suitable for public release which could simulate a range of scenarios. In discussions with the AHRTI Flammable Refrigerant Subcommittee (FRS) at the beginning of this effort, a total of 9 input parameters were chosen for consideration including room area, room/door opening area, ventilation fan flow rate, unit/leak height, leak area, leak rate, total refrigerant charge, refrigerant molecular weight, and state of the unit fan.

42 ENGINEERING↗
DOE OSTI2023

Highly-Efficient Microemulsion-Based Absorption Chillers for HVAC Application

Air conditioning is a necessity to achieve a comfortable, habitable home or office for many places in US. However, vapor compression air conditioners are largely made with chlorofluorocarbon refrigerants, or CFCs, which create problems for a world grappling with climate change. In addition, vapor compression air conditioners are driven by electricity. Cooling and heating represent one-third of building electrical energy consumption in US. An absorption chiller is different to vapor compression chillers or air conditioners because it doesn’t use conventional refrigerants, like CFC. Instead, they may use water as the refrigerant which is mixed with safe and nontoxic absorbents. The research performed in this project advanced the understanding of absorption cooling technology and its application in HVAC. Various technologies were explored to improve the performance of the desorber and absorber components in the absorption chillers.

42 ENGINEERING↗
DOE OSTI2021

A comprehensive and synthetic dataset for global, regional, and national greenhouse gas emissions by sector 1970–2018 with an extension to 2019

To track progress towards keeping global warming well below 2 °C or even 1.5 °C, as agreed in the Paris Agreement, comprehensive up-to-date and reliable information on anthropogenic emissions and removals of greenhouse gas (GHG) emissions is required. Here we compile a new synthetic dataset on anthropogenic GHG emissions for 1970–2018 with a fast-track extension to 2019. Our dataset is global in coverage and includes CO 2 emissions, CH 4 emissions, N 2 O emissions, as well as those from fluorinated gases (F-gases: HFCs, PFCs, SF 6 , NF 3 ) and provides country and sector details. We build this dataset from the version 6 release of the Emissions Database for Global Atmospheric Research (EDGAR v6) and three bookkeeping models for CO 2 emissions from land use, land-use change, and forestry (LULUCF). We assess the uncertainties of global greenhouse gases at the 90 % confidence interval (5th–95th percentile range) by combining statistical analysis and comparisons of global emissions inventories and top-down atmospheric measurements with an expert judgement informed by the relevant scientific literature. We identify important data gaps for F-gas emissions. The agreement between our bottom-up inventory estimates and top-down atmospheric-based emissions estimates is relatively close for some F-gas species (~ 10 % or less), but estimates can differ by an order of magnitude or more for others. Our aggregated F-gas estimate is about 10 % lower than top-down estimates in recent years. However, emissions from excluded F-gas species such as chlorofluorocarbons (CFCs) or hydrochlorofluorocarbons (HCFCs) are cumulatively larger than the sum of the reported species. Using global warming potential values with a 100-year time horizon from the Sixth Assessment Report by the Intergovernmental Panel on Climate Change (IPCC), global GHG emissions in 2018 amounted to 58 ± 6.1 GtCO 2 eq. consisting of CO 2 from fossil fuel combustion and industry (FFI) 38 ± 3.0 GtCO 2 , CO 2 -LULUCF 5.7 ± 4.0 GtCO 2 , CH 4 10 ± 3.1 GtCO 2 eq., N2O 2.6 ± 1.6 GtCO 2 eq., and F-gases 1.3 ± 0.40 GtCO 2 eq. Initial estimates suggest further growth of 1.3 GtCO 2 eq. in GHG emissions to reach 59 ± 6.6 GtCO 2 eq. by 2019. Our analysis of global trends in anthropogenic GHG emissions over the past 5 decades (1970–2018) highlights a pattern of varied but sustained emissions growth. There is high confidence that global anthropogenic GHG emissions have increased every decade, and emissions growth has been persistent across the different (groups of) gases. There is also high confidence that global anthropogenic GHG emissions levels were higher in 2009–2018 than in any previous decade and that GHG emissions levels grew throughout the most recent decade. While the average annual GHG emissions growth rate slowed between 2009 and 2018 (1.2 % yr –1 ) compared to 2000–2009 (2.4 % yr –1 ), the absolute increase in average annual GHG emissions by decade was never larger than between 2000–2009 and 2009–2018. Our analysis further reveals that there are no global sectors that show sustained reductions in GHG emissions. There are a number of countries that have reduced GHG emissions over the past decade, but these reductions are comparatively modest and outgrown by much larger emissions growth in some developing countries such as China, India, and Indonesia. There is a need to further develop independent, robust, and timely emissions estimates across all gases. As such, tracking progress in climate policy requires substantial investments in independent GHG emissions accounting and monitoring as well as in national and international statistical infrastructures. The data associated with this article (Minx et al., 2021) can be found at https://doi.org/10.5281/zenodo.5566761.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1989

Laboratory chemistry and stratospheric clouds

Results are presented from laboratory experiments on the chemistry of ice particles to study the role of HCl and ClONO2 from CFCs in stratospheric ozone depletion over Antarctica. It is found that gaseous HCl is scavenged with high efficiency by the ice and the gas phase chlorine nitrate may react with the HCL-containing ice to produce Cl2. Also, consideration is given ot the behavior of solid nitric acid trihydrate and sulfuric acid aerosols.

Molina, Mario J.↗
NASA NTRS1990

Tropospheric OH and the lifetimes of hydrochlorofluorocarbons

Hydrochlorofluorocarbons (HCFCs) may be used as alternatives for the chlorofluorocarbons (CFCs). Lifetimes for the HCFCs are predicted here in two ways: integrating their loss with a global model and scaling to another compound with a better known lifetime. Both approaches are shown to yield similar results. Three-dimensional fields of modeled tropospheric OH concentrations are used to calculate lifetimes against destruction by OH for the HCFCs and other hydrogenated halocarbons. The lifetimes of various hydro-halocarbons are shown to be insensitive to possible spatial variations and seasonal cycles. It is possible to scale the HCFC lifetimes to that of methyl chloroform or methane by using a ratio of the rate coefficients for reaction with OH at an appropriate temperature, about 277 K.

Prather, Michael↗
NASA NTRS1991

Making Mars habitable

The possibility is considered that the atmosphere and climate of Mars could be altered to allow terrestrial life forms, and possibly human beings, to survive on the surface. Production of CFCs or other greenhouse gases on Mars would warm the surface enough for the regolith and polar caps to release their CO2 and raise atmospheric pressure to 100 mbar. If a large regolith and polar CO2 reservoirs exist, the pressure would continue to rise on its own. If these are absent, additional CO2 would have to be released from carbonate minerals. At this point, perhaps between 100 and 100,000 yrs, Mars might be suitable for plants. If there is a mechanism for sequestering the reduced carbon, these plants could slowly transform the CO2 to produce an O2-rich atmosphere in perhaps 100,000 yrs. If sufficient N2 could be released from putative soil deposits and the CO2 level could be kept low enough, then a human-breathable atmosphere would be produced.

Mckay, Christopher P.↗
NASA NTRS1990

Scientific Assessment of Stratospheric Ozone: 1989, volume 2. Appendix: AFEAS Report

The results are presented of the Alternative Fluorocarbon Environmental Acceptability Study (AFEAS), which was organized to evaluate the potential effects on the environment of alternate compounds targeted to replace fully halogenated chlorofluorocarbons (CFCs). All relevant current scientific information to determine the environmental acceptability of the alternative fluorocarbons. Special emphasis was placed on: the potential of the compounds to affect stratospheric ozone; their potential to affect tropospheric ozone; their potential to contribute to model calculated global warming; the atmospheric degradation mechanisms of the compounds, in order to identify their products; and the potential environmental effects of the decomposition products. The alternative compounds to be studied were hydrofluorocarbons (HFCs) with one or two carbon atoms and one or more each of fluorine and hydrogen.

Source record↗
NASA NTRS1990

An assessment of potential impact of alternative fluorocarbons on tropospheric ozone

While the chlorofuorocarbons (CFCs) such as CFC-11 (CFCl3) and CFC-12 (CF2Cl2) are chemically inert in the troposphere, the hydrogen-containing halocarbons being considered as their replacements can, to a large extent, be removed in the troposphere by the HO radical. These alternative halocarbons include the hydrochlorofluorocarbons (HCFCs) 123 (CF3CHCl2), 141b (CFCl2CH3), 142b (CF2ClCH3), 22 (CHF2Cl), and 124 (CF3CHFCl) and the hydrofluorocarbons (HCFs) 134a (CF3CH2F), 152a (CHF2CH3) and 125 (CF3CHF2). Listed are the rate constants (k) for the HO radical reaction of these compounds and their estimated chemical lifetimes in the troposphere. In this table, values of the lifetimes of these selected HCFCs and HCFs are seen to vary by more than a factor of more than ten ranging from 1.6 years for HFC 152a and HCFC 125 to as long as 28 years for HFC 125. Clearly, from the standpoint of avoiding or minimizing impact on stratospheric O3, those halocarbons with short tropospheric lifetimes are the desirable alternates. However, potential environmental consequences of their degradation in the troposphere should be assessed and taken into account in the selection process.

Niki, Hiromi↗
NASA NTRS1992

Intense laser beams; Proceedings of the Meeting, Los Angeles, CA, Jan. 23, 24, 1992

Various papers on intense laser beams are presented. Individual topics addressed include: novel methods of copper vapor laser excitation, UCLA IR FEL, lasing characteristics of a large-bore copper vapor laser (CVL), copper density measurement of a large-bore CVL, high-power XeCl excimer laser, solid state direct-drive circuit for pumping gas lasers, united energy model for FELs, intensity and frequency instabilities in double-mode CO2 lasers, comparison of output power stabilities of CO and CO2 lasers, increasing efficiency of sealed-off CO lasers, thermal effects in singlet delta oxygen generation, optical extraction from the chemical oxygen-iodine laser medium, generation and laser diagnostic analysis of bismuth fluoride. Also discussed are: high-Q resonator design for an HF overtone chemical lasers, improved coatings for HF overtone lasers, scaled atmospheric blooming experiment, simulation on producing conjugate field using deformable mirrors, paraxial theory of amplitude correction, potential capabilities of adaptive optical systems in the atmosphere, power beaming research at NASA, system evaluations of laser power beaming options, performance projections for laser beam power to space, independent assessment of laser power beaming options, removal of atmospheric CFCs by lasers, efficiency of vaporization cutting by CVL.

Wade, Richard C.↗
NASA NTRS1994

Using Water To Analyze Greasy Residues

Water found useful as substitute for chlorofluorocarbon (CFC) solvents in tests to measure amounts of nonvolatile residues of contaminants (e.g., hydrocarbon greases) on equipment after it has been cleaned. Water does not harm environment and much cheaper than CFCs.

Hoppesch, Charles W.↗
NASA NTRS1994

Long term trend of selected halogenated hydrocarbons

The so-called 'Library of Background Air' at the Oregon Graduate Institute was used to determine the trend in volume mixing ratios of selected halogenated hydrocarbons in the time period 1977-1989. This library consists of background air samples most of them taken at Cape Meares (Oregon). For storage stainless steel containers are used. Tests have shown the gases under consideration to be stable in these containers. Analyses using a GC/MS-system were performed for the CFCs 11, 12, 12B1 (HALON 1211, CBrClF2), 22, 113, 114 and CH3Cl, CH3Br, CH3CCl3, CCl4. The advantage of this unique investigation: different aged air samples are analyzed at the same time with the same instrument. No calibrations or intercalibrations are needed. All data are presented in normalized mixing ratios versus time. We discuss the results, derive rate constants and present a formula to describe the nonlinear increases.

Borchers, R.↗
NASA NTRS1994

Radiative forcing perturbation due to observed increases in tropospheric ozone at Hohenpeissenberg

The effect on surface temperature due to changes in atmospheric O3 depends highly on the latitude where the change occurs. Previous sensitivity calculations indicate that ozone changes in the upper troposphere and lower stratosphere are more effective in causing surface temperature change (Wang et al., 1980). Long term ground-based observations show that tropospheric ozone, especially at the tropopause region, has been increasing at middle and high latitudes in the Northern Hemisphere (NATO, 1988; Quadrennial Ozone Symposium, 1992). These increases will enhance the greenhouse effect and increase the radiative forcing to the troposphere-surface system, which is opposite to the negative radiative forcing calculated from the observed stratospheric ozone depletion recently reported in WMO (1992). We used more than two thousands regularly measured ozonesondes providing reliable vertical O3 distribution at Hohenpeissenberg (47N; 11E) for the 1967-1990 to study the instantaneous solar and longwave radiative forcing the two decades 1971-1990 and compare the forcing with those caused by increasing CO2, CH4, N2O, and CFCs. Calculations are also made to compare the O3 radiative forcing between stratospheric depletion and tropospheric increase. Results indicate that the O3 changes will induce a positive radiative forcing dominated by tropospheric O3 increase and the magnitude of the forcing is comparable to that due to CO2 increases during the two decades. The significant implications of the tropospheric O3 increase to the global climate are discussed.

Wang, Wei-Chyung↗
NASA NTRS1995

The effect of environmental initiatives on NASA specifications and standards activities

The NASA Operational Environment Team (NOET) has conducted a survey of NASA centers specifications and standards that require the use of Ozone Depleting Substances (ODS's) (Chlorofluorocarbons (CFCs), Halons, and chlorinated solvents). The results of this survey are presented here, along with a pathfinder approach utilized at Marshall Space Flight Center (MSFC) to eliminate the use of ODS's in targeted specifications and standards. Presented here are the lessons learned from a pathfinder effort to replace CFC-113 in a significant MSFC specification for cleaning and cleanliness verification methods for oxygen, fuel and pneumatic service, including Shuttle propulsion elements.

Griffin, Dennis↗
NASA NTRS1993

Airborne Arctic Stratospheric Expedition 2: An overview

The sudden onset of ozone depletion in the antarctic vortex set a precedent for both the time scale and the severity of global change. The Airborne Antarctic Ozone Experiment (AAOE), stages from Punta Arenas, Chile, in 1987, established that CFCs, halons, and methyl bromide, the dominant sources of chlorine and bromide radicals in the stratosphere, control the rate of ozone destruction over the Antarctic; that the vortex is depleted in reactive nitrogen and water vapor; and that diabatic cooling during the antarctic winter leads to subsidence within the vortex core, importing air from higher altitudes and lower latitudes. This last conclusion is based on observed dramatic distortion in the tracer fields, most notably N2O. In 1989, the first Airborne Arctic Stratospheric Expedition (AASE-1), staged from Stavanger, Norway, and using the same aircraft employed for AAOE (the NASA ER-2 and the NASA DC-8), discovered that while NO(x) and to some degree NO(y) were perturbed within the arctic vortex, there was little evidence for desiccation. Under these (in contrast to the antarctic) marginally perturbed conditions, however, ClO was found to be dramatically enhanced such that a large fraction of the available (inorganic) chlorine resided in the form of ClO and its dimer ClOOCl. This leaves two abiding issues for the northern hemisphere and the mission of the second Airborne Arctic Stratospheric Expedition (AASE-2): (1) Will significant ozone erosion occur within the arctic vortex in the next ten years as chlorine loading in the stratosphere exceeds four parts per billion by volume? (2) Which mechanisms are responsible for the observed ozone erosion poleward of 30 deg N in the winter/spring northern hemisphere reported in satellite observations?

Anderson, James G.↗
NASA NTRS1994

Development and Qualification of Alternate Blowing Agents for Space Shuttle External Tank Thermal Protection System

The Aerospace industry has a long history of using low density polyurethane and polyurethane-modified isocyanurate foam systems as lightweight, low cost, easily processed cryogenic Thermal Protection Systems (TPS) for ascent vehicles. The Thermal Protection System of the Space Shuttle External Tank (ET) is required so that quality liquid cryogenic propellant can be supplied to the Orbiter main engines and to protect the metal structure of the tanks from becoming too hot from aerodynamic heating, hence preventing premature break-up of the tank. These foams are all blown with CFC-1 I blowing agent which has been identified by the Environmental Protection Agency (EPA) as an ozone depleting substance. CFCs will not be manufactured after 1995, Consequently, alternate blowing agent substances must be identified and implemented to assure continued ET manufacture and delivery. This paper describes the various testing performed to select and qualify HCFC-1 41 b as a near term drop-in replacement for CFC-11. Although originally intended to be a one for one substitution in the formulation, several technical issues were identified regarding material performance and processability which required both formulation changes and special processing considerations to overcome. In order to evaluate these material changes, each material was subjected to various tests to qualify them to meet the various loads imposed on them during long term storage, pre-launch operations, launch, separation and re-entry. Each material was tested for structural, thermal, aeroshear, and stress/strain loads for the various flight environments each encounters. Details of the development and qualification program and the resolution of specific problems are discussed in this paper.

Williams, Charles W.↗