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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Microbes Share Rides Too: Updating Encapsulated Bioburden Estimate Values in Electronic Parts Common to Class D Missions

As NASA develops more planetary protection missions that are Category III and in the Class D/rideshare mission platform, there is an increasing reliance on estimation of prelaunch bioburden to understand needs for burn up and breakup analyses or other methods to meet pre-launch bioburden levels. Current levels estimated for the encapsulated bioburden of semiconductor parts cited by NASA have been based on estimates of semiconductor manufacturing approaches from the 1970s that do not incorporate the evolving cleanliness of semiconductor manufacturing since that time. This investigation will focus on direct sampling of semiconductor parts for encapsulated bioburden values, drawing upon Goddard’s strength in EEE parts, supply chain management, destructive parts analysis and existing local planetary protection lab facilities to prepare and measure encapsulated bioburden at a statistically significant level for standard electronics parts common to known Class D/rideshare platforms.

planetary protection↗
DOE OSTI2022

Establishing Butyribacterium methylotrophicum as a Platform Organism for the Production of Biocommodities from Liquid C 1 Metabolites

Using the Wood-Ljungdahl pathway, acetogens can nonphotosynthetically fix gaseous C 1 molecules, preventing them from entering the atmosphere. Many acetogens can also grow on liquid C 1 compounds such as formate and methanol, which avoid the storage and mass transfer issues associated with gaseous C 1 compounds. Substrate redox state also plays an important role in acetogen metabolism and can modulate products formed by these organisms. Butyribacterium methylotrophicum is an acetogen known for its ability to synthesize longer-chained molecules such as butyrate and butanol, which have significantly higher values than acetate or ethanol, from one-carbon (C 1 ) compounds. We explored B. methylotrophicum’s C 1 metabolism by varying substrates, substrate concentrations, and substrate feeding strategies to improve four-carbon product titers. Our results showed that formate utilization by B. methylotrophicum favored acetate production and methanol utilization favored butyrate production. Cofeeding of both substrates produced a high butyrate titer of 4 g/liter when methanol was supplied in excess to formate. Testing of formate feeding strategies, in the presence of methanol, led to further increases in the butyrate to acetate ratio. Mixotrophic growth of liquid and gaseous C 1 substrates expanded the B. methylotrophicum product profile, as ethanol, butanol, and lactate were produced under these conditions. We also showed that B. methylotrophicum is capable of producing caproate, a six-carbon product, presumably through chain elongation cycles of the reverse β-oxidation pathway. Furthermore, we demonstrated butanol production via heterologous gene expression. Finally, our results indicate that both selection of appropriate substrates and genetic engineering play important roles in determining titers of desired products.

09 BIOMASS FUELS↗
DOE OSTI2026

Scalable Upcycling of Spent Lithium-Ion Battery Anodic Graphite to Electronic-Grade Graphene

Recycling processes for lithium-ion batteries (LIBs) are imperative to support the sustainable growth of global energy storage systems. This study introduces a scalable method for the upcycling of spent graphite anodes from LIBs to produce electronic-grade graphene nanoplatelets. In addition to comprehensive materials characterization, the electronic quality of the upcycled graphene is demonstrated by formulating it into a screen printing ink that achieves high-resolution patterning and thin-film electrical conductivity exceeding 104 S m−1. This screen printing ink is also used to print planar micro-supercapacitors with exceptional areal capacitance (1.78 mF cm−2), areal energy density (0.247 µWh cm−2), and cycling stability (> 10 000 cycles). Life cycle assessment (LCA) and techno-economic analysis (TEA) highlight the environmental benefits and cost reductions attainable through upcycling of graphite from LIBs. By capturing economic value from spent LIBs, this work fosters a sustainable battery supply chain and provides an abundant and geographically distributed raw material for electronic-grade graphene.

energy storage↗
DOE OSTI2026

Life Cycle Analysis of Natural Gas Supply Chain and End Use Applications in the United States

Natural gas (NG) plays a crucial role in current and future energy systems in the United States due to its abundance and affordability. In this study a life cycle analysis of the NG supply chain in the United States was conducted using Argonne's R&D GREET model, examining stages from recovery to distribution using reported field data processed and documented by National Energy Technology Laboratory. Supply chain emissions were evaluated across multiple spatial scales, including national average, overall regional production, region-to-region, and basin-to-region scenarios. The GHG intensity of the U.S. average NG supply chain was estimated at 10.3 kg CO 2 e/MMBtu (lower heating value), with a range across regions from 7.8 kg CO 2 e/MMBtu (Northeast) to 15.1 kg CO 2 e/MMBtu (Pacific). The analysis further assessed how upstream NG emissions influence the life cycle GHG emissions of key end-use applications, including electricity generation (0.044–0.086 kg CO 2 e/kWh from upstream NG in combined cycle facilities), hydrogen production (1.04–2.20 kg CO 2 e/kg H 2 for steam methane reforming [SMR] and 1.06–2.23 kg CO 2 e/kg for autothermal reforming [ATR]), and transit bus operation utilizing compressed natural gas fuel (0.19–0.37 kg CO 2 e/mile) and hydrogen fuel (0.12–0.25 kg CO 2 e/mile for hydrogen produced in SMR and ATR).

compression↗
DOE OSTI2020

Simulations of the Biodegradation of Citrate Based Polymers for Artificial Scaffolds Using Accelerated Reactive Molecular Dynamics

Here, we explore the reactivity and mechanical properties of poly(1,6-hexanediol-co-Citric acid) via ReaxFF molecular dynamics simulations. We implement an accelerated scheme within the ReaxFF framework to study the hydrolysis reaction of the polymer which is provided with sufficient amount of energy known as the restrain energy after a suitable pre-transition state configuration is obtained to overcome the activation energy barrier and the desired product is obtained. The validity of the ReaxFF force field is established by comparing the ReaxFF energy barriers of ester and ether hydrolysis with benchmark DFT values in literature. We perform chemical and mechanical degradation of polymer chain bundles at 300 K. We find that ester hydrolyzes faster than ether due to lower activation energy barrier of the reaction. The selectivity of the bond-boost scheme has been demonstrated by lowering the boost parameters of the accelerated simulation which almost stops the ether hydrolysis. Mechanical degradation of pre-hydrolyzed and intermittent hydrolyzed polymer bundles is performed along the longitudinal direction at two different strain rates. We find that the tensile modulus of the polymers are increases with increase in strain rates which shows that polymers show a strain dependent behavior. The tensile modulus of the Polyester-ether is higher than Polyester yet reaches yield-stress faster than Polyester. This makes Polyester more ductile than Polyester-ether.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

PV Evolution in the Light of Circular Economy

As photovoltaic (PV) deployments increase, the increasing material volume presents challenges throughout the supply chain and eventual end-of-life waste management. Quantifying the value of lifetime, reliability, repair, reuse, recycling, and other options to increase circularity can help identify and prioritize research and technical solutions required to integrate PV into the circular economy. In this work, we capture the evolution of PV module technology, such as improved reliability and increasing market share of glass/glass modules. We discuss material circularity, lifetime and reliability, and energy return on investment as quantitative metrics to define and evaluate circularity and sustainability.

bifacial↗
DOE OSTI2022

Understanding Novel Lewis Acid Doping Mechanisms in Organic Semiconductors

Recent studies supported by this DOE grant have provided a more detailed understanding of the doping mechanism of organic semiconductors by the Lewis acid, tris(pentafluorophenyl)borane (BCF). Our studies have examined the intermolecular semiconductor-dopant interactions as well as the thermodynamic feasibility of different doping mechanisms. Most notably, we found a different proposed doping scheme is much more thermodynamically favoured (exergonic) than our proposed two-step BCF doping mechanism. The state-of-the-art experimental and theoretical techniques of High-Field Multi-Dimensional Solid State NMR spectroscopy and Time-Dependent Density Functional theory (TD-DFT) and DFT were employed in this work. The data obtained helped identify the structural details and intermolecular interactions which impact the organic semiconductor doping efficiency for BCF and how these compare to the case of doping by the standard integer charge transfer dopant molecule F 4 TCNQ. We have, for the first time, assigned specific chemical shift values for the F 4 TCNQ molecules clustered outside of polymer chains as well as those intercalated between the polymer backbones. Further, we provide theoretical support for a novel doping mechanism which combines those proposed in previous literature involving the evolution of hydrogen gas along with a doping species more complex than the simple BCF·H 2 O. While our previously proposed doping mechanism was found to be highly thermodynamically unfavorable, the formation of large anion [BCF(OH)(OH 2 )BCF]- is the key change making the proposed mechanism exergonic while the elimination of gaseous H 2 helps drive the doping reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Synthesizing Lithium Sorbents Using Acid Mine Drainage Solids

In this study, we prepared HMO from coal mine drainage (CMD) solids and examined the practicability of recovering Li from oil and gas produced waters and geothermal brines. We aim to innovate high-value added products from the existing extract REEs and CMs processing chain of legacy byproducts associated with coal production. CMD solids, which are precipitates collected from exhausted limestone gravels of passive CMD treatment beds, are enriched in rare earth elements (REEs) and other critical minerals (CMs), and therefore, considered as a viable alternative source for REEs/CMs to supply the Nation’s demands. A patented extraction process developed by NETL (TREE) has been demonstrated as a cost-effective and efficient approach to recover REEs/CMs from CMD solids. Here, we selected residuals of CMD solids from the TREE process that are enriched in manganese (Mn) (>20% w/w) and successfully prepared LMO using a solid-state method modified from Yoshizuka et al. (2002).

Cheng, Chin-Min↗
DOE OSTI2023

Bead–Spring Simulation of Ionomer Melts—Studying the Effects of Chain-Length and Associating Group Fraction on Equilibrium Structure and Extensional Flow Behavior

Ionomers are associative polymers with diverse applications ranging from selective membranes and high-performance adhesives to abrasion- and chemical-resistant coatings, insulation layers, vacuum packaging, and foamed sheets. Within equilibrium melt, the ionic or associating groups are known to form thermally reversible, associative clusters whose presence can significantly affect the system’s mechanical, viscoelastic, and transport properties. It is, thus, of great interest to understand how to control such clusters’ size distribution, shape, and stability through the designed choice of polymer architecture and the ionic groups’ fraction, arrangement, and interaction strength. In this work, we represent linear associating polymers using a Kremer–Grest type bead–spring model and perform large-scale MD simulations to explore the effect of polymer chain-length (l) and fraction (f s ) of randomly placed associating groups on the size distribution and stability of formed clusters. We consider different chain-lengths (below and above entanglement), varying fractions of associating groups (represented by ‘sticky’ beads) between 5 and 20%, and a fixed sticky–sticky nonbond interaction strength of four times that between regular non-associating beads. For all melts containing associating groups the equilibrium structure factor S(q) displays a signature ionomer peak at low wave vector q whose intensity increases with increasing f s and l. The average cluster size Nc increases with f s . However, the effect of chain-length on Nc appears to be pronounced only at higher values of f s . Under extensional flows, the computed stress (and viscosity) is higher at higher f s and l regardless of strain rate. Beyond a critical strain rate, we observe fragmentation of the associative clusters, which has interesting effects on the stress/viscous response.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Heat pipe systems using new working fluids

The performance of a heat pipe system is greatly improved by the use of a dilute aqueous solution of about 0.0005 and about 0.005 moles per liter of a long chain alcohol as the working fluid. The surface tension-temperature gradient of the long-chain alcohol solutions turns positive as the temperature exceeds a certain value, for example about 40.degree. C. for n-heptanol solutions. Consequently, the Marangoni effect does not impede, but rather aids in bubble departure from the heating surface. Thus, the bubble size at departure is substantially reduced at higher frequencies and, therefore, increases the boiling limit of heat pipes. This feature is useful in microgravity conditions. In addition to microgravity applications, the heat pipe system may be used for commercial, residential and vehicular air conditioning systems, micro heat pipes for electronic devices, refrigeration and heat exchangers, and chemistry and cryogenics.

Chao, David F.↗
NASA NTRS1999

Carbon chain abundance in the diffuse interstellar medium

Thanks to the mid-IR sensitivities of the ISO and IRTS orbiting spectrometers it is now possible to search the diffuse interstellar medium for heretofore inaccessible molecular emission. In view of the recent strong case for the presence of C(7-) (Kirkwood et al. 1998, Tulej et al. 1998),and the fact that carbon chains possess prominent infrared active modes in a very clean portion of the interstellar spectrum, we have analyzed the IRTS spectrum of the diffuse interstellar medium for the infrared signatures of these species. Theoretical and experimental infrared band frequencies and absolute intensities of many different carbon chain species are presented. These include cyanopolyynes, neutral and anionic linear carbon molecules, and neutral and ionized, even-numbered, hydrogenated carbon chains. We show that--as a family--these species have abundances in the diffuse ISM on the order of 10(-10) with respect to hydrogen, values consistent with their abundances in dense molecular clouds. Assuming an average length of 10 C atoms per C-chain implies that roughly a millionth of the cosmically available carbon is in the form of carbon chains and that carbon chains can account for a few percent of the visible to near-IR diffuse interstellar band (DIB) total equivalent width (not DIB number).

Carbon/analysis/chemistry↗
DOE OSTI2023

Molecular-Weight-Dependent Infiltration and Adsorption of Polymers into Nanochannels

The mesoporous silica shell coating hydrogenolysis nano-catalysts alters the molecular weight distributions of cleaved polymer chains compared to catalysts without a shell. The shell, composed of radially aligned narrow cylindrical nanopores, reduces the formation of low-valued gaseous products and increases the median molecular weight of the product, thus enhancing the value of the products for polymer upcycling. Here, to understand the role of the mesoporous shell, we have studied the spatial distribution of polystyrene chains, used as a model polymer, in the nanochannels in both the melt phase and solution phase. In the melt, we observed from small-angle X-ray scattering experiments that the infiltration rate of the polymer into the nanochannels is inversely proportional to the molecular weight, which is consistent with theory. In theta solution experiments using UV–vis spectroscopy, we found that the shell significantly enhances polymer adsorption compared to nanoparticles without pores. In addition, the degree of polymer adsorption is not a monotonic function of molecular weight but initially increases with the molecular weight before eventually decreasing. The molecular weight for the peak adsorption increases with the pore diameter. This adsorption behavior is rationalized as resulting from a balance between the mixing entropy gain by surface adsorption and the conformational entropy penalty incurred by chains confined in the nanochannels. The spatial distribution of polymer chains in the nanochannels is visualized by energy-dispersive X-ray spectroscopy (EDX), and inverse Abel-transformed data reveals a less uniform polymer distribution along the primary pore axis for longer chains.

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

Detection of a new carbon-chain molecule, CCO

A new carbon-chain molecule, CCO 3Sigma(-), has been detected in the cold dark molecular cloud TMC-1. The excitation temperature and the column density of CCO are, respectively, about 6 K and about 6 x 10 to the 11th/sq cm. This column density corresponds to a fractional abundance relative to H2 of about 6 x 10 to the -11th. This value is two orders of magnitude less than the abundance of the related carbon-chain molecule CCS, and about half that of C3O. The formation mechanism for CCO is discussed.

Ohishi, Masatoshi↗
DOE OSTI2021

Synthesis of End-Functionalized Poly(norbornenes) and Poly(ethylidene norbornenes) Using a Pd(II) Catalyst in Combination with Chain Transfer Agents

Synthesis of end-functionalized poly(norbornene)s (PNBs) and poly(ethylidenenorbornene)s (PENBs) were prepared using the palladium catalyst t Bu 3 PPdMeCl/NaBAr f in combination with chain transfer agents (CTAs) 4-penten-1-ol and 10-undecenal. These CTAs produce polymers end-capped with -OH and -CHO groups, respectively, in high yields with M n values in the range of 6K to 17K, depending on the molar ratio of the CTA: monomer. End-functionalized PNBs and PENBs with precisely controlled Mn values and very narrow molecular weight distributions were accessed by using 4-penten-1-ol and 10-undecenal as chain-terminating agents following living polymerizations in which monomer is completely consumed. The utility of the aldehyde-functionalized polymers is illustrated via coupling to a dye molecule and by synthesis of ambiphilic diblock copolymers, PNB-b-PEG and PENB-b-PEG.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Anomalous low-frequency conductivity in easy-plane XXZ spin chains

Using the framework of generalized hydrodynamics, we compute here the low-frequency spin conductivity σ ( ω ) of XXZ spin chains with easy-plane anisotropy. We find that for almost all values of the anisotropy - 1 < Δ < 1 , the low-frequency conductivity scales anomalously with frequency, as σ ( ω ) ~ 1 / ω . We interpret this anomalous response as a consequence of quasiparticles undergoing Lévy flights. For special values of the anisotropy, the divergence is cut off at low frequencies, so σ ( ω ) has a finite dc limit. These results reveal a hitherto unknown mechanism for anomalous response in integrable systems and also provide a physical explanation of the discontinuous behavior of the spin Drude weight. We use our method to recover that at the isotropic point Δ = 1 , σ ( ω ) ~ ω - 1 / 3 . We support our results with extensive numerical studies using matrix-product operator methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Evolution of collectivity in 118 Xe

A recoil-distance Doppler shift experiment has been performed using the Pd 102 ( F 19 , p 2 n ) reaction at a beam energy of 73 MeV to measure the lifetime of excited states in Xe 118 . Additionally, the differential decay-curve method using γ γ coincidences and a gating procedure that allows to extract the lifetime without feeding assumptions has been employed. The lifetimes obtained for the yrast states up to spin-parity 8 + are compared with interacting boson model calculations and Xe 118 can be classified as a transitional nucleus between the spherical and a deformed shape. Systematics of the B ( E 2 ) values for the 2 + → 0 + and 4 + → 2 + transitions in the isotopic chains of tin, tellurium and xenon are presented. It is proposed that a “critical point” exists at which the B ( E 2 ; 4 + → 2 + ) / B ( E 2 ; 2 + → 0 + ) ratio drops to unity for lower neutron numbers within the isotopic chain. The position of the “critical point” varies with proton number, i.e., it is presumed to be located at the same mass number A = 114 in the Sn, Te, and Xe isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Corrected Moments in Antenna Coordinates (CMAC) X-SAPR Technical Report

In 2010 the Atmospheric Radiation Measurement user facility procured 3- and 5-cm wavelength radars for documenting the macrophysical, microphysical, and dynamical structure of precipitating systems. In order to maximize the scientific impact, the program supported the development of an application chain to correct for various phenomena in order to retrieve the “point” values of moments of the radar spectrum and polarimetric measurements. This report details the motivation, science, and progress to date as well as charting a path forward.

54 ENVIRONMENTAL SCIENCES↗