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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Multiscale Modeling of Thermal Conductivity of Polymer/Carbon Nanocomposites

Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between nanoparticles and amorphous and crystalline polymer matrices. Bulk thermal conductivities of the nanocomposites were then estimated using an established effective medium approach. To study functionalization, oligomeric ethylene-vinyl alcohol copolymers were chemically bonded to a single wall carbon nanotube. The results, in a poly(ethylene-vinyl acetate) matrix, are similar to those obtained previously for grafted linear hydrocarbon chains. To study the effect of noncovalent functionalization, two types of polyethylene matrices. -- aligned (extended-chain crystalline) vs. amorphous (random coils) were modeled. Both matrices produced the same interfacial thermal resistance values. Finally, functionalization of edges and faces of plate-like graphite nanoparticles was found to be only modestly effective in reducing the interfacial thermal resistance and improving the composite thermal conductivity

Clancy, Thomas C.↗
DOE OSTI2023

Process-based cost estimation framework for assessing economic viability of environmentally and socially sustainable rare earth element feedstocks

Rare Earth Elements (REEs) are critical raw material inputs that are required to enable the energy transition. Constraints on the U.S. supply of conventional REE feedstocks and the desire to diversify U.S. reliance on foreign supply chains have motivated the pursuit of REE recovery from unconventional feedstocks including waste products. Recovery of REEs from unconventional sources is also motivated by environmental and social considerations, including the potential to offset new mining activity and subsidize the remediation of REE-containing wastes from coal, natural gas, and other mineral extraction activities. Sourcing REEs from unconventional feedstocks would reduce supply chain constraints and minimize the environmental impacts of REE extraction, but current processes to exploit these feedstocks have uncertain technical and economic performance and the processes have not been demonstrated at scale. This work aims to reduce uncertainty in evaluating the performance of new REE production pathways. A database of operating and capital expenses for REE recovery and establish consistent process unit costs for common stages in the conventional supply chain are developed. Market prices are used to develop well-defined methods for determining product values for a diverse set of products that can be generated (e.g. oxalates, alloys, end-use products such as magnets) but are not typically considered in technoeconomic analyses. Finally, to provide insight on the effects of economies of scale and feedstock purity on capital and operating costs, process unit level cost functions relating total costs per kilogram of REE produced are reported. These tools can be applied to assess and facilitate scale-up of REE production from diverse sources of REEs.

Fritz, Alison↗
DOE OSTI2023

Synthesis and Thermal Oxidation Resistance of Boron-Rich Boron–Carbide Material

A boron-rich boron–carbide material (B4+δC) was synthesized by spark plasma sintering of a ball-milled mixture of high-purity boron powder and graphitic carbon at a pressure of 7 MPa and a temperature of 1930 °C. This high-pressure, high-temperature synthesized material was recovered and characterized by X-ray diffraction, X-ray photoelectron spectroscopy, Raman spectroscopy, Vickers hardness measurements, and thermal oxidation studies. The X-ray diffraction studies revealed a single-phase rhombohedral structure (space group R-3m) with lattice parameters in hexagonal representation as a = 5.609 ± 0.007 Å and c = 12.082 ± 0.02 Å. The experimental lattice parameters result in a value of δ = 0.55, or the composition of the synthesized compound as B4.55C. The high-resolution scans of boron binding energy reveal the existence of a B-C bond at 188.5 eV. Raman spectroscopy reveals the existence of a 386 cm−1 vibrational mode representative of C-B-B linear chain formation due to excess boron in the lattice. The measured Vickers microhardness at a load of 200 gf shows a high hardness value of 33.8 ± 2.3 GPa. Thermal gravimetric studies on B4.55C were conducted at a temperature of 1300 °C in a compressed dry air environment, and its behavior is compared to other high-temperature ceramic materials such as high-entropy transition metal boride. The high neutron absorption cross section, high melting point, high mechanical strength, and thermal oxidation resistance make this material ideal for applications in extreme environments.

36 MATERIALS SCIENCE↗
NASA NTRS2012

Hydrocarbons on Phoebe, Iapetus, and Hyperion: Quantitative Analysis

We present a quantitative analysis of the hydrocarbon spectral bands measured on three of Saturn's satellites, Phoebe, Iaperus, and Hyperion. These bands, measured with the Cassini Visible-Infrared Mapping Spectrometer on close fly-by's of these satellites, are the C-H stretching modes of aromatic hydrocarbons at approximately 3.28 micrometers (approximately 3050 per centimeter), and the are four blended bands of aliphatic -CH2- and -CH3 in the range approximately 3.36-3.52 micrometers (approximately 2980- 2840 per centimeter) bably indicating the presence of polycyclic aromatic hydrocarbons (PAH), is unusually strong in comparison to the aliphatic bands, resulting in a unique signarure among Solar System bodies measured so far, and as such offers a means of comparison among the three satellites. The ratio of the C-H bands in aromatic molecules to those in aliphatic molecules in the surface materials of Phoebe, NAro:NAliph approximately 24; for Hyperion the value is approximately 12, while laperus shows an intermediate value. In view of the trend of the evolution (dehydrogenation by heat and radiation) of aliphatic complexes toward more compact molecules and eventually to aromatics, the relative abundances of aliphatic -CH2- and -CH3- is an indication of the lengths of the molecular chain structures, hence the degree of modification of the original material. We derive CH2:CH3 approximately 2.2 in the spectrum of low-albedo material on laperus; this value is the same within measurement errors to the ratio in the diffuse interstellar medium. The similarity in the spectral signatures of the three satellites, plus the apparent weak trend of aromatic/aliphatic abundance from Phoebe to Hyperion, is consistent with, and effectively confirms that the source of the hydrocarbon-bearing material is Phoebe, and that the appearance of that material on the other two satellites arises from the deposition of the inward-spiraling dust that populates the Phoebe ring.

Cruikshank, Dale P.↗
NASA NTRS1979

Low-level processing for real-time image analysis

A system that detects object outlines in television images in real time is described. A high-speed pipeline processor transforms the raw image into an edge map and a microprocessor, which is integrated into the system, clusters the edges, and represents them as chain codes. Image statistics, useful for higher level tasks such as pattern recognition, are computed by the microprocessor. Peak intensity and peak gradient values are extracted within a programmable window and are used for iris and focus control. The algorithms implemented in hardware and the pipeline processor architecture are described. The strategy for partitioning functions in the pipeline was chosen to make the implementation modular. The microprocessor interface allows flexible and adaptive control of the feature extraction process. The software algorithms for clustering edge segments, creating chain codes, and computing image statistics are also discussed. A strategy for real time image analysis that uses this system is given.

Eskenazi, R.↗
DOE OSTI2022

Driven superconducting vortex dynamics in systems with twofold anisotropy in the presence of pinning

Abstract We examine the dynamics of superconducting vortices with twofold anisotropic interaction potentials driven over random pinning, and compare the behavior under drives applied along the hard and the soft anisotropy directions. As the driving force increases, the number of topological defects reaches a maximum near the depinning threshold, and then decreases as the vortices form one-dimensional (1D) chains. This coincides with a transition from a pinned nematic to a moving smectic aligned with the soft anisotropy direction. The system is generally more ordered when the drive is applied along the soft direction of the anisotropy. For driving along the hard direction, there is a critical value of the twofold anisotropy above which the system remains aligned with the soft direction. Hysteretic behavior appears upon cycling the driving force, with 1D vortex chains persisting during the decreasing leg below the threshold for chain formation for increasing drive. More anisotropic systems have a greater amount of structural disorder in the moving state. For lower anisotropy, the system forms a moving smectic-A state, while at higher anisotropy, a moving nematic state appears instead.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Inclusion Complexes of a Metastable‐State Photoacid with High Acidity and Chemical Stability

Abstract Metastable‐state merocyanine photoacids (MCHs) have been widely applied to various chemical, material and biomedical areas to drive or control chemical processes with light. In this work, stoichiometry and association constants have been determined for inclusion complexes of a photoacid MCH1 ((E)‐3‐(2‐(2‐hydroxystyryl)‐3,3‐dimethyl‐3H‐indol‐1‐ium‐1‐yl)propane‐1‐sulfonate) withβ‐cyclodextrin (β‐CD), 2‐hydroxypropyl‐β‐CD (HP‐β‐CD),γ‐CD and HP‐γ‐CD by means of UV‐Vis absorption spectroscopic titrations. The inclusion complexes were studied to enhance acidity and chemical stability. Kinetic study showed that CDs stabilized the acidic metastable state and slowed its thermal relaxation. The acidity of the ground and metastable state (pK a GS and pK a MS ) increased upon addition of CDs. The pK a MS of [MCH1 ⋅ (γ‐CD) 2 ] is as low as 0.92 in comparison with 2.24 for MCH1, which is close to the lowest pK a MS values (1.20 and 1.03) reported previously, in which case the MCH1 was structurally modified with alkylammonium side chains. Addition of CDs also significantly enhanced the chemical stability of MCH1 against hydrolysis, which is one of the major concerns for the application of MCHs. In particular, the addition of HP‐β‐CD increased the half‐life of MCH1 in aqueous solution more than four‐fold. Moreover, the quantum chemical calculations confirmed the stoichiometry and analyzed the binding sites and hydrogen bonds of the inclusion complexes.

Chemistry↗
DOE OSTI2022

Morphological Ordering of the Organic Layer for High-Performance Hybrid Thermoelectrics

Inorganic-organic hybrids, such as Te-PEDOT:PSS core/shell nanowires, have emerged as a class of promising thermoelectric materials with combined attributes of mechanical flexibility and low cost. However, the poorly understood structure-property relationship calls for further investigation for performance enhancement. Here, through precise treatments of focused electron beam irradiation and thermal annealing on individual Te-PEDOT:PSS nanowires, new, nonchemical mechanisms are introduced to specifically engineer the organic phase, and the measured results provide an unprecedented piece of evidence, confirming the dominant role of organic shell in charge transport. Paired with the Kang-Snyder model and molecular dynamics simulations, this work provides mechanistic insights in terms of heating-enabled morphological ordering of the polymer chains. The measured results show that thermal annealing on the 42 nm nanowire results in a ZT value of 0.78 at 450 K. In conclusion, through leveraging the interfacial self-assembly of the organic phase to construct a high electrical conductivity domain, this work lays out a clear framework for the development of next-generation soft thermoelectrics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Dark Energy Survey Year 3 results: marginalization over redshift distribution uncertainties using ranking of discrete realizations

ABSTRACT Cosmological information from weak lensing surveys is maximized by sorting source galaxies into tomographic redshift subsamples. Any uncertainties on these redshift distributions must be correctly propagated into the cosmological results. We present hyperrank, a new method for marginalizing over redshift distribution uncertainties, using discrete samples from the space of all possible redshift distributions, improving over simple parametrized models. In hyperrank, the set of proposed redshift distributions is ranked according to a small (between one and four) number of summary values, which are then sampled, along with other nuisance parameters and cosmological parameters in the Monte Carlo chain used for inference. This approach can be regarded as a general method for marginalizing over discrete realizations of data vector variation with nuisance parameters, which can consequently be sampled separately from the main parameters of interest, allowing for increased computational efficiency. We focus on the case of weak lensing cosmic shear analyses and demonstrate our method using simulations made for the Dark Energy Survey (DES). We show that the method can correctly and efficiently marginalize over a wide range of models for the redshift distribution uncertainty. Finally, we compare hyperrank to the common mean-shifting method of marginalizing over redshift uncertainty, validating that this simpler model is sufficient for use in the DES Year 3 cosmology results presented in companion papers.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The development and use of decision support framework for informing selection of select agent toxins with modelling studies to inform permissible toxin amounts

Many countries have worked diligently to establish and implement policies and processes to regulate high consequence pathogens and toxins that could have a significant public health impact if misused. In the United States, the Antiterrorism and Effective Death Penalty Act of 1996 (Public Law 104-132, 1996), as amended by the Bioterrorism Preparedness and Response Act of 2002 (Public Law 107-188, 2002) requires that the Department of Health and Human Services (HHS) [through the Centers for Disease Control and Prevention (CDC)] establish a list of bacteria, viruses, and toxins that have the potential to pose a severe threat to public health and safety. Currently, this list is reviewed and updated on a biennial basis using input from subject matter experts (SMEs). We have developed decision support framework (DSF) approaches to facilitate selection of select toxins and, where toxicity data are known, conducted modelling studies to inform selection of toxin amounts that should be excluded from select agent regulations. Exclusion limits allow laboratories to possess toxins under an established limit to support their research or teaching activities without the requirement to register with the Federal Select Agent Program. Fact sheets capturing data from a previously vetted SME workshop convened by CDC, literature review and SME input were developed to assist in evaluating toxins using the DSF approach. The output of the DSF analysis agrees with the current select toxin designations, and no other toxins evaluated in this study were recommended for inclusion on the select agent and toxin list. To inform the selection of exclusion limits, attack scenarios were developed to estimate the amount of toxin needed to impact public health. Scenarios consisted of simulated aerosol releases of a toxin in high-population-density public facilities and the introduction of a toxin into a daily consumable product supply chain. Using published inhalation and ingestion median toxic dose (TD 50 ) and median lethal dose (LD 50 ) values, where available, a range of toxin amounts was examined to estimate the number of people exposed to these amounts in these scenarios. Based on data generated by these models, we proposed toxin exclusion values corresponding to levels below those that would trigger a significant public health response (i.e., amounts estimated to expose up to ten people by inhalation or one hundred people by ingestion to LD 50 or TD 50 levels of toxin in the modeled scenarios).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Chain flexibility and glass transition temperatures of poly(n-alkyl (meth)acrylate)s: Implications of tacticity and chain dynamics

The relationship between chain microstructure and glass transition temperature (T g ) is complicated for poly(alkyl methacrylate)s and poly(alkyl acrylate)s. Despite intensive studies, relationships between the structures of these polymers and their properties, including solution characteristics and T g , are still controversial. Solution properties, chain conformations, including Flory's characteristic ratio (C ∞ ), persistence length (l p ), and chain diameters, and T g are reported for series of poly(n-alkyl acrylate)s and poly(n-alkyl methacrylate)s having alkyl side chain lengths (n) ranging from 1 to 10 carbons in length, with uniform and well-characterized tacticities. Chain flexibilities of both series of polymers decrease as n increases, reflecting increased hindrances to rotation about backbone bonds as side chains become longer. Conversely, the T g s for both series of polymers decrease substantially as n increases, reflecting the greater side chain mobilities of long alkyl substituents. For shorter alkyl chain lengths, T g s for the poly(n-alkyl acrylate)s are much lower than for the corresponding poly(n-alkyl methacrylate)s, a difference which has been attributed in the past to the presumed reduced chain flexibility of polymethacrylates due to the presence of the α-methyl substituent. However, contrary to such expectations, C ∞ and l p values for these two series of polymers are nearly identical at a given n value, except for the longest n-alkyl substituents. Instead, the differences in T g may be attributed to the differences in tacticity of the two series – almost ideally atactic for the poly(n-alkyl acrylate)s but high in syndiotacticity for the poly(n-alkyl methacrylate)s. The T g s for the two series of polymers approach that of polyethylene at longer alkyl chain lengths. In addition, the effects of tacticity and chain dynamics on C ∞ , l p , and T g of poly(methyl methacrylate) is discussed.

36 MATERIALS SCIENCE↗
NASA NTRS2012

Cis-Lunar Base Camp

Historically, when mounting expeditions into uncharted territories, explorers have established strategically positioned base camps to pre-position required equipment and consumables. These base camps are secure, safe positions from which expeditions can depart when conditions are favorable, at which technology and operations can be tested and validated, and facilitate timely access to more robust facilities in the event of an emergency. For human exploration missions into deep space, cis-lunar space is well suited to serve as such a base camp. The outer regions of cis-lunar space, such as the Earth-Moon Lagrange points, lie near the edge of Earth s gravity well, allowing equipment and consumables to be aggregated with easy access to deep space and to the lunar surface, as well as more distant destinations, such as near-Earth Asteroids (NEAs) and Mars and its moons. Several approaches to utilizing a cis-lunar base camp for sustainable human exploration, as well as some possible future applications are identified. The primary objective of the analysis presented in this paper is to identify options, show the macro trends, and provide information that can be used as a basis for more detailed mission development. Compared within are the high-level performance and cost of 15 preliminary cis-lunar exploration campaigns that establish the capability to conduct crewed missions of up to one year in duration, and then aggregate mass in cis-lunar space to facilitate an expedition from Cis-Lunar Base Camp. Launch vehicles, chemical propulsion stages, and electric propulsion stages are discussed and parametric sizing values are used to create architectures of in-space transportation elements that extend the existing in-space supply chain to cis-lunar space. The transportation options to cis-lunar space assessed vary in efficiency by almost 50%; from 0.16 to 0.68 kg of cargo in cis-lunar space for every kilogram of mass in Low Earth Orbit (LEO). For the 15 cases, 5-year campaign costs vary by only 15% from 0.36 to 0.51 on a normalized scale across all campaigns. Thus the development and first flight costs of assessed transportation options are similar. However, the cost of those options per flight beyond the initial operational capability varies by 70% from 0.3 to 1.0 on a normalized scale. The 10-year campaigns assessed begin to show the effect of this large range of cost beyond initial operational capability as they vary approximately 25% with values from 0.75 to 1.0 on the normalized campaign scale. Therefore, it is important to understand both the cost of implementation and first use as well as long term utilization. Finally, minimizing long term recurring costs is critical to the affordability of future human space exploration missions. Finally minimizing long term recurring costs is critical to the affordability of future human space exploration missions.

Merrill, Raymond G.↗
DOE OSTI2025

Utilization of Carbon Supply Chain Wastes and Byproducts to Manufacture Graphite for Energy Storage Applications

This project explored how coal and waste coal can be transformed into high-value graphite used in batteries for electric vehicles and power grids. A manufacturing technique that converts coal into carbon foam and subsequently graphite was developed and refined to improve the thermal and mechanical properties of the resulting materials. Cost-effectiveness and environmental impacts were also evaluated. Coal-derived graphite, especially when processed at high temperatures, was shown to perform comparably to commercial graphite in battery tests. Advanced computer simulations were used to model battery behavior and predict long-term performance, demonstrating that coal-based graphite has the potential to support electric vehicle deployment while reducing reliance on imported materials. This work offers a promising pathway for cleaner energy storage solutions and creates economic opportunities for coal-reliant communities by generating new uses for mining byproducts.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Dithieno[3,2-c:3′,2′‑ h ][2,6]naphthyridine-4,9(5H,10H)-dione-Based Conjugated Polymers for High Stable n‑Type Organic Electrochemical Transistors

Amide/imide-based conjugated polymers have been utilized as n-type OECT materials and have demonstrated promising device performance. However, their performance remains insufficient in terms of both efficiency and stability, which limits their practical applications. The development of conjugated polymers based on amide and imide groups represents a promising approach to address this issue. Here, in this study, we introduced dithieno­[3,2-c:3′,2′-h]­[2,6]­naphthyridine-4,9­(5H,10H)-dione (TVTDA) into the design of the OECT materials for the first time. By copolymerizing it with (E)-2,2′-(ethene-1,2-diyl)­bis­(thiophene-3-carbonitrile), we prepared two polymers, TVTDA-2CNTVT-ST and TVTDA-2CNTVT-BR, which contain linear or branched ethylene glycol side chains, respectively. OECT devices based on these polymers demonstrate n-type charge transport characteristics, achieving promising μC* values of 7.17 and 26.5 F cm –1 V –1 s –1 for TVTDA-2CNTVT-ST and TVTDA-2CNTVT-BR, respectively. The higher electron mobility and μC* of TVTDA-2CNTVT-BR can be attributed to its mixed edge-on and face-on stacking mode, larger crystalline coherence length, and larger domain size in the thin film. To our delight, the OECT devices based on both polymers exhibit good operational stability after operating in an aqueous solution for 2000 s, with current retention rates exceeding 93%, representing the high level among the OECT devices based on amide/imide-conjugated polymers. Our study demonstrates that the TVTDA unit holds great potential for constructing high-performance n-type OECT materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Catalytic Deconstruction of Ethylene Vinyl Acetate Copolymer and Polyethylene Mixtures via Hydroconversion: Challenges and Solutions

We explore hydrogenolysis over ruthenium supported on zirconia (Ru/ZrO 2 ) and hydrocracking over platinum (Pt) supported on zeolites as an effective end-of-life strategy for ethylene vinyl acetate (EVA)–a widely used performance heat sealant in hard-to-recycle multilayer packaging. For Ru/ZrO 2 hydrogenolysis, EVA reacts slower than low-density polyethylene (LDPE) and the catalyst deactivates due to carbonaceous deposits originating from polyenes generated in situ during EVA thermal degradation. High H 2 pressures and temperatures can overcome catalyst deactivation; however, CH 4 yields are excessive due to cascade hydrogenolysis stemming from strong C=C/metal interactions. Polyene hydrogenation allows chains anchored by C=C to desorb from Ru, shifting product selectivity from CH 4 to higher-value liquids. Hydrogenolysis of mixed EVA and linear low-density polyethylene (LLDPE), mirroring typical frozen food packaging formulations, results in comparable catalyst activity and CH 4 yield as the pure EVA resin. For Pt/zeolite hydrocracking, pure EVA and EVA:LLDPE mixtures are deconstructed to propane or light naphtha with minimal CH 4 production. Among catalysts tested, Pt/HY gives the highest liquid productivity (g C5+products /g cat ·h). Furthermore, these findings showcase the recalcitrant nature of EVA and its associated mixtures for Ru/ZrO 2 hydrogenolysis, highlighting that hydrocracking catalysts may be superior for complex packaging waste.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

On controlling robots with redundancy

An adaptive position control scheme for manipulators possessing either kinematic or actuator redundancy is presented. The controller is developed by considering the end-effector position control problem and redundancy resolution problem separately. The end-effector position control problem is solved by using an adaptive scheme to generate the Cartesian-space control input required to track the desired end-effector position trajectory; this control problem is nonredundant even for redundant robots. The Cartesian-space position controller is derived using a model reference adaptive control (MRAC) approach, and does not require knowledge of the complex robot dynamic model or parameter values for the robot or the payload. As a result, the scheme is applicable to both open-chain and closed-chain robots, and is computationally efficient for on-line implementations.

Colbaugh, R.↗
DOE OSTI2024

Techno-economic and life cycle analysis of synthetic natural gas production from low-carbon H 2 and point-source or atmospheric CO 2 in the United States

Synthetic natural gas (SNG) is of great interest in reducing fossil energy consumption while maintaining compatibility with existing NG infrastructure and end-use applications equipment. SNG can be produced using clean H 2 generated from renewable or nuclear energy and CO 2 captured from stationary sources or the atmosphere. In this study, we develop an engineering process model of SNG production using Aspen Plus® and production scales reported by the industry. We examine the levelized cost and life cycle greenhouse gas (GHG) emissions of SNG production under various CO 2 supply scenarios. Considering the higher cost of H 2 transportation compared with CO 2 transportation, we assume that CO 2 feedstock is transported via pipeline to the H 2 production location, which is collocated with the SNG plant. We also evaluate the cost of CO 2 captured from the atmosphere, assuming the direct air capture process can occur near the SNG facility. Depending on the CO 2 supply chain, the levelized cost of SNG is estimated to be in the range of $\$45–76$ per million British thermal units (MMBtu) on a higher heating value (HHV) basis. The SNG production cost may be reduced to $\$27–57$/MMBtu-HHV by applying a tax credit available in the United States for low-carbon H 2 production (45V). With a lower electricity price of 3¢/kWh for water electrolysis and accounting for a 45V tax credit, the SNG cost reaches parity with the cost of fossil NG. Depending on the CO 2 supply chain, SNG can reduce life cycle GHG emissions by 52–88% compared with fossil NG.

03 NATURAL GAS↗