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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Contribution of Speciated Monoterpenes to Secondary Aerosol in the Eastern North Atlantic

Extension of laboratory results suggests that monoterpenes, a subset of marine biogenic volatile organic compounds, might play a competitive role in secondary aerosol formation in the remote marine atmosphere, where the oxidation of dimethyl sulfide has traditionally been thought to dominate. However, the current assessment of the role of monoterpenes in secondary aerosol formation in the remote marine atmosphere is limited by the scarcity of speciated monoterpene measurements and the complete absence of collocated measurements of particle chemical composition and monoterpene speciation. Here, in this paper, we present measurements of gas-phase volatile organic compounds, with particular focus on speciated monoterpenes, and commensurate measurements of aerosol chemical composition in the Eastern North Atlantic. The average monoterpene concentration in periods of marine air was 14 ± 10 ppt, and the dominant isomer was β-pinene (46 ± 10%), with other contributions from α-pinene, limonene, and β-ocimene. The total monoterpene concentration in marine air was greater than that of isoprene by a factor of 3.9 on average, in contrast to prior research and potentially due to the large β-pinene contribution. Monoterpenes were significantly smaller in concentration than dimethyl sulfide, which was also highlighted by the substantial contribution of sulfate to non-refractory submicron aerosol. The mean and interquartile range of the sulfate to organic aerosol mass ratio in clean marine air were 2.7 (0.7–3.4). Finally, a simple box model analysis showed that the BVOC precursors, dimethyl sulfide, methanethiol, monoterpenes, and isoprene, could sustain the measured sulfate to organic aerosol ratio in clean marine air.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A Pair of 2D Quantum Liquids: Investigating the Phase Behavior of Indirect Excitons

Long-lived indirect excitons (IXs) exhibit a rich phase diagram, including a Bose–Einstein condensate (BEC), a Wigner crystal, and other exotic phases. Recent experiments have hinted at a “classical” liquid of IXs above the BEC transition. To uncover the nature of this phase, we use a broad range of theoretical tools and find no evidence of a driving force toward classical condensation. Instead, we attribute the condensed phase to a quantum electron–hole liquid (EHL), first proposed by Keldysh for direct excitons. Taking into account the association of free carriers into bound excitons, we study the phase equilibrium between a gas of excitons, a gas of free carriers, and an EHL for a wide range of electron–hole separations, temperatures, densities, and mass ratios. Our results agree reasonably well with recent measurements of GaAs/AlGaAs coupled quantum wells.

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

Deconstruction of Woody Biomass via Protic and Aprotic Ionic Liquid Pretreatment for Ethanol Production

Ionic liquids (ILs) have emerged as important solvents for conversion of lignocellulosic feedstocks to fuels and chemicals due to their ability to enable efficient biomass deconstruction and fractionation. Woody biomass derived from forest and agricultural residues has the potential to be used for production of biofuels and its removal from forests can help mitigate disastrous wildfires in fire-prone states like California. This study evaluated woody biomass types (pine, almond, walnut, and fir) from California as potential biofuel feedstocks. The feedstocks were pretreated with the ILs cholinium lysinate ([Ch][Lys]) and ethanolamine acetate ([EOA][OAc]), followed by enzymatic hydrolysis and fermentation of lignocellulosic sugars to produce ethanol. Under optimal conditions, [EOA][OAc] pretreatment and enzymatic hydrolysis generated glucose and xylose yields in the range of 24-82 and 14-80%, respectively, while glucose and xylose yields for the [Ch][Lys] ranged between 28-83 and 23-80%, respectively. Maximum fermentable sugar was released from almond wood, and the lowest amount was from pine and fir. Further, blends of feedstocks were also explored, and a blend with a mass ratio of 2/2/1 (almond/walnut/pine) resulted in maximum glucose and xylose (>90%) yields using [Ch][Lys]. Fermentation of this hydrolysate using a C5-utilizing strain of Saccharomyces cerevisiae resulted in a maximum ethanol concentration of 17.9 g/L for mixture biomass hydrolysate, corresponding to 60.8% fermentation efficiency. This study represents the first demonstration of the use of these ILs for pretreatment of woody biomass blends that resulted in a high overall conversion efficiency for ethanol production.

09 BIOMASS FUELS↗
DOE OSTI2021

Product Characteristics and Synergy Study on Supercritical Methanol Liquefaction of Lignocellulosic Biomass and Plastic

Bio-oil originating from lignocellulosic biomass (LCB) is a potential next-generation fuel because of its abundant, renewable, and sustainable resources compared to other types. However, these bio-oils are typically of low quality compared to petroleum-derived oils due to their low calorific value, high acidity, and oxygen content. This work intends to provide a feasible method for producing hydrocarbon-rich oils by supercritical methanol (scMeOH) coliquefaction of LCB and plastic waste. Both rice straw (RS) and linear low-density polyethylene (LLDPE) are coliquefied under 300 °C for 60 min in scMeOH at various RS/LLDPE mass ratios of 2:1, 1:1, and 1:2. Positive effects were found in terms of oil yield and fuel quality, such as higher hydrocarbons content and calorific value. The oil yield increased from 26.72 to 30.07 wt % with LLDPE addition of 67%. Around 79.15–92.24% of the oil was hydrocarbons, phenols, ketones, and diverse functional group compounds. The complex compounds led to various degrees of the synergetic effect on oil chemical compositions. Among various RS/LLDPE ratios in this work, RS/LLDPE of 1:2 was supposed to be an optimal ratio for hydrocarbon-rich fuel production because it presented the highest oil yield of 30.07 wt % and quality-high oil with 71.42% hydrocarbons. In addition, scMeOH coliquefaction of LCB and plastic waste shows a synergetic effect on the improvement of carbon and hydrogen contents in solid products. These results indicate that scMeOH coliquefaction of LCB with plastic is a feasible and promising means to improve fuel quality and also to realize the thermal recycling of plastic wastes.

09 BIOMASS FUELS↗
DOE OSTI2024

Concerted Formation of Reversibly Precipitated Sulfur Species and Its Importance for Lean Electrolyte Lithium–Sulfur Batteries

Achieving high energy densities for lithium-sulfur batteries remain elusive. Largely limited by the volume of electrolyte used, lean electrolyte conditions (electrolyte/sulfur mass ratio <3) present enormous challenges that have led to very poor specific capacity and rate performance. Previous studies have identified that the high concentration of polysulfide is responsible for the poor discharge voltage. However, there still lacks sufficient understanding of the processes occurring at lean electrolyte conditions. Here, in this work we uncovered a polysulfide concentration regulating mechanism that operates through the precipitation and redissolution of solid sulfur-based species (reversibly precipitated sulfur species, RPSS). This occurs in a concerted manner in a global sense through the cathode and can be measured using impedance spectroscopy. It was found that the more RPSS that is formed, the higher the energy density of discharge. We propose that high concentration of polysulfide tends to supersaturate, which impeded the formation of RPSS. Employing an electrolyte with low Li ion concentration along with using poorly dissociating lithium salts allowed for more RPSS formation and ultimately enabled discharge at >2.0 V at 0.05 C, at E/S = 2.5, and at room temperature without the use of an engineered cathode.

25 ENERGY STORAGE↗
DOE OSTI2020

Chemo‐mechanical Alterations Induced From CO 2 Injection in Carbonate‐Cemented Sandstone: An Experimental Study at 71 °C and 29 MPa

Abstract Carbon capture, utilization, and storage may lead to mechanical degradation of the subsurface reservoir from fluid‐rock interaction, which could lead to wellbore instability or reservoir compaction. To better understand potential relationship between mechanical degradation with various carbonate cement textures and compositions in sandstone reservoirs, six flow‐through experiments were conducted. Formation water (TDS = 5,390 mg/L) enriched with CO 2 flowed through two types of Pennsylvanian Morrow B Sandstone: an ankerite‐siderite‐cemented sandstone (disseminated cement texture) and a calcite‐cemented sandstone (poikilotopic cement texture). The experiments produced little change in permeability in the ankerite‐siderite‐cemented sandstone, but permeability increased up to more than 1 order of magnitude in the calcite‐cemented sandstone. Ultrasonic measurements and cylinder‐splitting tests (also known as Brazilian tests) suggested negligible mechanical degradation of the ankerite‐siderite‐cemented sandstone. Variable changes, with significant mechanical degradation in the static moduli, were observed in the calcite‐cemented sandstone. Thus, dissolution of the disseminated ankerite‐siderite cement (0.28–0.30%) had minimal impact on modifying the flow network and the mechanical integrity of the sandstone, whereas dissolution of the poikilotopic calcite cement (0.89–1.13%, quantified with fluid chemistry and visualized with X‐ray microcomputed tomography) impacted the mechanical strength of the sandstone by disconnecting framework grains. With the high water‐to‐rock mass ratios (7.3–8.2) and number of pore volumes (147–675) employed in these experiments, potential risks are most relevant to regions near injection wells. Ultimately, the chemo‐mechanical effects induced by CO 2 injection are strongly influenced by the cement texture and composition and the burial history of the reservoir rock.

Wu, Z.↗
DOE OSTI2021

Shear Alfvén Waves Driven by Magnetic Reconnection as an Energy Source for the Aurora Borealis

Previous studies have concluded that the Hall magnetic field structures generated during magnetic reconnection are carried away by kinetic Alfvén waves. Here, we apply a kinetic simulation with an ion/electron mass ratio closer to its natural value and find that open boundary conditions and much reduced damping rates permit the shear Alfvén waves (SAWs) to become the main carrier of wave energy. Further, for magnetotail reconnection, these SAWs provide efficient transport of wave energy, enhancing the energy input for the Aurora Borealis by orders of magnitude above previous estimates.

58 GEOSCIENCES↗
DOE OSTI2026

Strong Sensitivity of Simulated Biomass Burning Aerosol Transport and Radiative Effects Over the South Atlantic to Carbonaceous Aerosol Aging and Particle Density

Biomass burning aerosol (BBA) impacts climate through aerosol‐cloud‐radiation interactions, but models disagree on the sign and magnitude of BBA radiative effects. We quantify the sensitivity of BBA radiative effects and transport to three BBA‐relevant processes and properties: parameterized oxidative aging of organic aerosol (OA), a combined change to black carbon (BC) density and the method for calculating aerosol refractive index, and reduction in OA density. We evaluate Unified Model simulations against two aircraft campaigns from summer 2017 over the Southeast Atlantic. The model generally performs well, such that discrepancies between the observational data sets may sometimes limit the precision of the evaluation. Our newly developed aging parameterization reproduces observed OA:BC mass ratios well and allows modeled OA:BC to decrease with smoke age, but increases bias in aerosol extinction and changes the BBA radiative effect little (+0.12 W m -2 ). We calculate aerosol refractive index using either a volume‐weighted component average or the Maxwell‐Garnett (MG) mixing assumption, which represents BC as small inclusions in a host material. Compared to MG mixing, the volume‐weighted average refractive index and reduced BC density increase aerosol absorption, substantially increasing the total BBA radiative effect (+2.66 W m -2 ) and amount of BBA transported across the ocean through BC self‐lofting. Reducing OA density to better match literature values changes the total BBA radiative effect by −1.96 W m -2 . Changes to direct radiative effects exceed changes to cloud radiative effects. Our findings emphasize the sensitivity of aerosol radiative effects and transport to these processes and properties, which we suggest could be improved in climate models.

Southeast Atlantic↗
DOE OSTI2020

Optical follow-up of the neutron star–black hole mergers S200105ae and S200115j

LIGO and Virgo’s third observing run revealed the first neutron star–black hole (NSBH) merger candidates in gravitational waves. These events are predicted to synthesize r-process elements creating optical/near-infrared ‘kilonova’ emission. The joint gravitational wave and electromagnetic detection of an NSBH merger could be used to constrain the equation of state of dense nuclear matter, and independently measure the local expansion rate of the Universe. Here, we present the optical follow-up and analysis of two of the only three high-significance NSBH merger candidates detected to date, S200105ae and S200115j, with the Zwicky Transient Facility. The Zwicky Transient Facility observed ~48% of S200105ae and ~22% of S200115j’s localization probabilities, with observations sensitive to kilonovae brighter than –17.5 mag fading at 0.5 mag d –1 in the g- and r-bands; extensive searches and systematic follow-up of candidates did not yield a viable counterpart. We present state-of-the-art kilonova models tailored to NSBH systems that place constraints on the ejecta properties of these NSBH mergers. Here, we show that with observed depths of apparent magnitude ~22 mag, attainable in metre-class, wide-field-of-view survey instruments, strong constraints on ejecta mass are possible, with the potential to rule out low mass ratios, high black hole spins and large neutron star radii.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Formulating energy density for designing practical lithium–sulfur batteries

We report the lithium–sulfur (Li–S) battery is one of the most promising battery systems due to its high theoretical energy density and low cost. Despite impressive progress in its development, there has been a lack of comprehensive analyses of key performance parameters affecting the energy density of Li–S batteries. Here, we analyse the potential causes of energy loss during battery operations. We identify two key descriptors (R weight and R energy ) that represent the mass- and energy-level compromise of the full-cell energy density, respectively. A formulation for energy density calculations is proposed based on critical parameters, including sulfur mass loading, sulfur mass ratio, electrolyte/sulfur ratio and negative-to-positive electrode material ratio. The current progress of Ah-level Li–S batteries is also summarized and analysed. Finally, future research directions, targets and prospects for designing practical high-performance Li–S batteries are proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Silver-decorated palladium on carbon catalyst for enhanced ammonium formate dehydrogenation

Palladium (Pd)-based catalysts efficiently convert ammonium formate solution to hydrogen at low temperatures (<100 °C), but they tend to deactivate quickly during stability testing. This manuscript presents a systematic investigation into the catalytic properties of Pd–Ag bimetallic catalysts, focusing on their surface compositions and exploring the mechanisms behind the deactivation of Pd/Ag-based catalysts. Here this study reports a carbon-supported Pd–Ag bimetallic nanoparticle (NP) catalyst obtained through a galvanic replacement method, which showed enhanced formate dehydrogenation performance. The best catalyst, Pd 3 Ag 10 /ACA-G (Pd–Ag bimetallic NPs with a 3 : 10 mass ratio loaded on acid-washed activated carbon, prepared by the galvanic replacement method), presents the highest activity with a TOF of 5202 h -1 (~2.6-fold of commercial Pd/C). The enhanced electron density of Pd–Ag bimetallic nanoparticles, coupled with the advantages of a smaller nanoparticle size, and the modulation of hydrogen adsorption energy through the Ag/Pd surface alloy on the Ag/Pd(111) facet, collectively resulted in experimentally higher turnover rates of hydrogen production. The changes on the catalyst surface, including surface Ag fraction decrease, NP size growth, and O-containing species (carboxylate, etc.) adsorption, gradually resulted in catalyst deactivation.

08 HYDROGEN↗
DOE OSTI2024

Performance enhancement of aqueous ionic liquids with lower critical solution temperature (LCST) behavior through ternary mixtures

Thermally responsive ionic liquids (ILs) exhibit liquid–liquid phase separation when mixed with water and heated above a lower critical solution temperature (LCST), resulting in a water-rich (WR) and an IL-rich (ILR) phase. These binary IL–water mixtures can be employed in a variety of thermodynamic processes such as forward osmosis (FO) desalination, for which two solution properties are desirable: low phase separation temperature and high osmotic strength (osmolality). However, these two properties are interlinked, with ILs that exhibit higher osmotic strengths typically requiring higher phase separation temperatures. This behavior tends to arise from the hydrophilicity of the IL cations, which enhances osmotic strength while also elevating the phase separation temperature. In this work, we highlight a pathway to overcome this tradeoff by developing ternary IL mixtures (two ILs with varying cation hydrophilicity mixed with water), which lowers the phase separation temperature while maintaining and even enhancing the osmotic strength of the solution. We characterize the mixing behavior (osmolality, phase separation temperature, WR phase purity, and WR to ILR phase mass ratio) of four ILs as a function of their concentration in solution. We find that an enhancement of up to 81.6% in the osmolality with a concomitant reduction of up to 15.4% in the phase separation temperature can be achieved using this approach. The ternary mixture is also shown to improve the phase separation kinetics by nearly 95% compared to the binary mixture. Overall, this work highlights a new pathway to improve the performance of LCST ILs for water and energy applications.

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

Ultra diffuse galaxies in the MATLAS low-to-moderate density fields

Recent advances in deep dedicated imaging surveys over the past decade have uncovered a surprisingly large number of extremely faint low surface brightness galaxies with large physical sizes called ultra diffuse galaxies (UDGs) in clusters and, more recently, in lower density environments. As part of the Mass Assembly of early-Type GaLAxies with their fine Structures (MATLAS) survey, a deep imaging large program at the Canada-France-Hawaii Telescope (CFHT), our team has identified 2210 dwarf galaxies, 59 (~3%) of which qualify as UDGs. Averaging over the survey area, we find ~0.4 UDG per square degree. They are found in a range of low to moderate density environments, although 61% of the sample fall within the virial radii of groups. Based on a detailed analysis of their photometric and structural properties, we find that the MATLAS UDGs do not show significant differences from the traditional dwarfs, except from the predefined size and surface brightness cut. Their median color is as red as the one measured in galaxy clusters, albeit with a narrower color range. The majority of the UDGs are visually classified as dwarf ellipticals with log stellar masses of ~6.5 – 8.7. The fraction of nucleated UDGs (~34%) is roughly the same as the nucleated fraction of the traditional dwarfs. Only five (~8%) UDGs show signs of tidal disruption and only two are tidal dwarf galaxy candidates. A study of globular cluster (GC) candidates selected in the CFHT images finds no evidence of a higher GC specific frequency S N for UDGs than for classical dwarfs, contrary to what is found in most clusters. The UDG halo-to-stellar mass ratio distribution, as estimated from the GC counts, peaks at roughly the same value as for the traditional dwarfs, but spans the smaller range of ~10 – 2000. Finally, we interpret these results to mean that the large majority of the field-to-group UDGs do not have a different formation scenario than traditional dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Understanding the role of morphology and environment in the dynamical evolution of isolated galaxy triplets

The environments where galaxies reside affects their evolutionary histories. Galaxy triplets (systems composed of three physically bound galaxies) are one of simplest groups of galaxies, and are therefore excellent laboratories to study evolutionary mechanisms where effects of the environment are minimal. We present a statistical study of the dynamical properties of isolated galaxy triplets as a function of their local and large-scale environments. To explore the connection of the dynamical evolution on the systems with the evolution of the galaxies composing the triplets, we consider observational properties such as morphology and star formation rate (SFR). We used the SDSS-based catalogue of Isolated Triplets (SIT), which contains 315 triplets. We classified each triplet according to galaxy morphologies and defined a parameter Q trip to quantify the total local tidal strengths in the systems. To quantify the dynamical stage of the system we used the parameters of harmonic radius R H , velocity dispersion σvr, crossing time H 0 t c , and virial mass M vir . Triplets composed of three early-type galaxies present the smallest R H , indicating that they are in general more compact than triplets with one or more late-type galaxies. Among triplets with low values of R H and H 0 t c , SIT triplets with Q trip < –2 are relaxed systems that are more dynamically evolved, while triplets with Q trip > –2 show compact configurations due to interactions within the system, such as ongoing mergers. We found that there is no dominant galaxy in triplets in terms of properties of stellar populations such as global colour and SFR. Moreover, the global SFR in isolated triplets composed of two or more early-type galaxies increases with the stellar mass ratio of the galaxies with respect to the central galaxy, therefore the system is globally ‘rejuvenated’.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Kinetic simulations of anomalous resistivity in high-temperature current carrying plasmas

Anomalous resistivity caused by lower hybrid drift instabilities (LHDIs) has been extensively studied in the literature, and has been invoked to explain the rates of magnetic diffusion and plasma profile evolution in the low-density plasma periphery of theta and screw pinch plasmas. In this article, we present a fully kinetic simulation study of LHDIs with a realistic mass ratio using the particle-in-cell code Chicago over a large range of drift speeds, 0.5 < v$^{2}_{di}$/v$^{2}_{ti}$ < 14.5, plasma β, β ≥ 2×10 –5 , and temperature ratios, 0.1 < T e /T i < 10. The resistivity quantified from the simulations is compared with the analytic estimates from the literature and a generalized resistivity expression is presented, which can be applied over the entire range of plasma environments that were simulated in this study. This expression uses the amplitude of the LHDI fluctuations resulting from instability saturation by electron resonance broadening rather than plateau formation, current relaxation, or ion trapping. The generalized resistivity expression is appropriate for full-scale fluid simulations that encounter a large range of plasma conditions, and has better agreement with the resistivity quantified from kinetic simulations than previous expressions in the literature, particularly at low plasma β. Anomalous resistivity has also been considered as an explanation of the rapid magnetic field dissipation during magnetic reconnection events at large plasma β. At a large β, the magnetic field fluctuations of LHDIs can dominate the electrostatic fluctuations and this article investigates enhanced collisionality due to the nonlinear magnetic force, δJ×δB/c.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Nonlinear kinetic simulation study of the ion–ion streaming instability in single- and multi-ion species plasmas

The nonlinear evolution of the ion–ion streaming instability (IISI) is studied using numerical techniques novel to this problem that afford direct insight into the evolution of the particle distributions of each species. Here, during the linear phase of the instability, we demonstrate quantitative agreement with linear kinetic theory. Subsequently, the electrostatic field generated by the IISI causes ring-like velocity distributions of ions to form that are both heated and slowed to varying degrees relative to their initial flows. Due to variation in the trapping conditions for ion species of differing charge-to-mass ratio, when flows of multiple species interact, the nonlinear evolution of each species can be starkly different: we show a case where a lighter ion species is completely stopped by a heavier ion species via the IISI alone (i.e., without collisions) and, for the first time, demonstrate how the IISI can introduce a relative flow between ion species that initially have the same flow velocities, thereby separating them.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Time integrator agnostic charge conserving finite element PIC

Developing particle-in-cell (PIC) methods using finite element basis sets, and without auxiliary divergence cleaning methods, was a longstanding problem until recently. It was shown that if consistent spatial basis functions are used, one can indeed create a methodology that was charge conserving, albeit using a leapfrog time stepping method. While this is a significant advance, leapfrog schemes are only conditionally stable and time step sizes are closely tied to the underlying mesh. Ideally, to take full advantage of advances in finite element methods (FEMs), one needs a charge conserving PIC methodology that is agnostic to the time stepping method. This is the principal contribution of this paper. In what follows, we shall develop this methodology, prove that both charge and Gauss’ laws are discretely satisfied at every time step, provide the necessary details to implement this methodology for both the wave equation FEM and Maxwell solver FEM, and finally demonstrate its efficacy on a suite of test problems. The method will be demonstrated by single particle evolution, non-neutral beams with space-charge, and adiabatic expansion of a neutral plasma, where the Debye length has been resolved, and real mass ratios are used.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗