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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Electrochemically Engineered, Highly Energy-Efficient Conversion of Ethane to Ethylene and Hydrogen below 550 °C in a Protonic Ceramic Electrochemical Cell

Ethylene is one of the largest building blocks in the petrochemical industry, mainly produced by steam cracking of ethane derived from naphtha or shale gas at high temperatures (>800 °C). Despite its technical maturity and economic competitiveness, the thermal steam cracking of ethane is highly energy-intensive. In this work, an electrochemically engineered direct conversion process of ethane to produce hydrogen and ethylene using a planar protonic ceramic membrane reactor with a bi-functional three-dimensional catalytic electrode is reported, with a single-pass ethane conversion of 40% and ethylene yield of 26.7% at 550 °C. Compared with the industrial ethane steam cracking, this method saves process energy input by 45.1% and improves process energy efficiency by 50.6%, based on comprehensive process simulation using Aspen Plus software. Further, steam electrolysis treatment under the solid oxide electrolysis cell mode can regenerate the system’s catalytic performance and significantly alleviate catalytic degradation by 74%, demonstrating high techno-economic viability.

bi-functional electrode↗
DOE OSTI2026

Technoeconomic Analysis of a Novel Microwave Process to Produce Ethylene from Methane

Ethylene is a critical feedstock in industrial processes, serving as a raw material in the petrochemical industry to produce plastics and commodity chemicals. Conventional ethylene production routes are energy-intensive and contribute substantially to the carbon footprint of chemical manufacturing. In this study, an industrial-scale novel microwave process was simulated using ASPEN Plus to assess its economic viability. Technoeconomic analysis confirmed the economic competitiveness of the novel microwave process, with a levelized cost of ethylene of USD 0.51/kg compared to USD 0.56/kg for the conventional base case. Key economic drivers of the process were identified, and sensitivity analyses were conducted to evaluate their impact on project economics. Furthermore, 87.7% of the total utility consumption in the novel microwave process is electricity, highlighting its potential to contribute to the electrification of the chemical industry. The findings of this study confirm the economic feasibility of both industrial-scale microwave reactors and modular plant configurations for the production of ethylene from methane, offering a promising alternative to conventional processes.

electromagnetic radiation↗
DOE OSTI2022

Modeling Snow Dynamics and Stable Water Isotopes Across Mountain Landscapes

Abstract A coupled hydrologic and snowpack stable water isotope model assesses controls on isotopic inputs across a mountainous basin. Annually, the most depleted isotope conditions occur in the upper subalpine where snow accumulation is high, and rainfall is low. Snowmelt isotopic evolution over time indicates fractionation processes account for <25% snowmelt enrichment. Meltwater isotopic inputs are largely determined by controls on the amount, phase and isotopic mass of precipitation coincident with the ablation period. Effect of vapor loss from the snowpack on d‐excess in snowmelt is a balance between energy and snow‐availability. It is highest above treeline, and in the grass and aspen‐dominated portions of the upper montane where vegetation shading is low. Deep snowpack in conifer forests limit the influence of vapor loss in the subalpine. Wet years reduce the effects of vapor loss on snowmelt across the basin, except in the lower montane where added snowfall bolsters snow‐limited conditions.

58 GEOSCIENCES↗
DOE OSTI2022

A Meteorology and Snow Data Set From Adjacent Forested and Meadow Sites at Crested Butte, CO, USA

We present meteorology and snow observation data collected at sites in the southwestern Colorado Rocky Mountains (USA) over three consecutive water years with different amounts of snow water equivalent (SWE) accumulation: A year with above average SWE (2019), a year with average SWE (2020), and a year with below average SWE (2021). This data set is distinguished by its emphasis on paired open-forest sites in a continental snow climate. Approximately once a month during February–May, we collected data from 15 to 20 snow pits and took 8 to 19 snow depth transects. Our sampling sites were in open and adjacent forested areas at 3,100 m and in a lower elevation aspen (3,035 m) and higher elevation conifer stand (3,395 m). In total, we recorded 270 individual snow pit density and temperature profiles and over 4,000 snow depth measurements. These data are complimented by continuous meteorological measurements from two weather stations: One in the open and one in the adjacent forest. Meteorology data—including incoming shortwave and longwave radiation, outgoing shortwave radiation, relative humidity, wind speed, snow depth, and air and infrared surface temperature—were quality controlled and the forcing data were gap-filled. These data are available to download from Bonner, Smyth, et al. at three levels of processing, including a level with downscaled, adjusted precipitation based on data assimilation using observed snow depth and a process-based snow model. We demonstrate the utility of these data with a modeling experiment that explores open-forest differences and identifies opportunities for improvements in model representation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Identifying transcription factors that reduce wood recalcitrance and improve enzymatic degradation of xylem cell wall in Populus

Developing an efficient deconstruction step of woody biomass for biorefinery has been drawing considerable attention since its xylem cell walls display highly recalcitrance nature. Here, we explored transcriptional factors (TFs) that reduce wood recalcitrance and improve saccharification efficiency in Populus species. First, 33 TF genes up-regulated during poplar wood formation were selected as potential regulators of xylem cell wall structure. The transgenic hybrid aspens (Populus tremula × Populus tremuloides) overexpressing each selected TF gene were screened for in vitro enzymatic saccharification. Of these, four transgenic seedlings overexpressing previously uncharacterized TF genes increased total glucan hydrolysis on average compared to control. The best performing lines overexpressing Pt × tERF123 and Pt × tZHD14 were further grown to form mature xylem in the greenhouse. Notably, the xylem cell walls exhibited significantly increased total xylan hydrolysis as well as initial hydrolysis rates of glucan. The increased saccharification of Pt × tERF123-overexpressing lines could reflect the improved balance of cell wall components, i.e., high cellulose and low xylan and lignin content, which could be caused by upregulation of cellulose synthase genes upon the expression of Pt × tERF123. Overall, we successfully identified Pt × tERF123 and Pt × tZHD14 as effective targets for reducing cell wall recalcitrance and improving the enzymatic degradation of woody plant biomass.

09 BIOMASS FUELS↗
DOE OSTI2020

A single-component water-lean post-combustion CO 2 capture solvent with exceptionally low operational heat and total costs of capture – comprehensive experimental and theoretical evaluation

A comprehensive evaluation of a recently developed water-lean amine-based solvent, namely N-(2-ethoxyethyl)-3-morpholinopropan-1-amine (2-EEMPA), has been performed to analyze its post-combustion CO 2 capture performance. This evaluation comprises (1) fundamental characterization of the solvent–CO 2 interaction using vapor–liquid equilibria, kinetics and viscosity measurements; (2) process characterization of the CO 2 capture performance as measured in a laboratory scale continuous flow system and via Aspen Plus® simulation using a flue gas simulant; as well as (3) a full techno economic analysis of the capture process at industrial scale with corresponding projections of critical metrics. This paper summarizes the many parts of this comprehensive evaluation and shows how the various parts come together to empower validated conclusions about its process performance. Notably, it is projected that this solvent can operate at a regeneration heat rate of 2.0 GJ per tonne CO 2 for post-combustion capture, and at a total cost of capture of $50.6/tonne CO 2 . Overall, with further process optimization significant reductions in the capture cost are predicted.

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

Changes in high-latitude surface energy balance driven by snowpack and vegetation dynamics under warmer climate

With rapid climate warming, expected changes in snowpack and vegetation will alter the seasonal surface albedo of high-latitude ecosystems. The extent to which these albedo changes may affect surface energy balances and thus soil temperatures is uncertain, but represents a potentially important component of ecosystem feedbacks to climate change. Here, we apply a well-tested process-rich ecosystem model, ecosys , to examine changes in seasonal surface albedo and soil temperature driven by climate-induced snowpack and vegetation changes across Alaska under a warmer twenty-first century climate. Under the Representative Concentration Pathway 8.5 climate change scenario, the modeled changes in surface albedo exhibited large seasonal and spatial variations. We found spring albedo decreases driven by increases in snow-free periods (>20 d) and an extended growing season length that resulted in greater gains in leaf area index (LAI) in most parts of Alaska. In contrast, we modeled increases in summer and winter albedo (despite modeled increases in LAI) across much of the boreal forest due to an increased proportion of aspen, which has a higher leaf albedo than the currently dominant black spruce. Modeled latent heat fluxes generally increase across the twenty-first century, particularly during the spring and summer. Overall, climate warming and changes in surface energy fluxes resulted in a 3.5 ± 0.50 °C increase in spatial- and annual-averaged top 10 cm surface soil temperatures across Alaskan ecosystems by the year 2100, with larger increases in tundra than boreal forest regions. We conclude that under warmer climates, seasonal variations in albedo and surface energy fluxes are particularly pronounced during the spring and summer, driven by changes in snowpack and vegetation dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Improved bound on nonlinear quantum mechanics using a cryogenic radio frequency experiment

There are strong arguments that quantum mechanics may be nonlinear in its dynamics. A discovery of nonlinearity would hint at a novel understanding of the interplay between gravity and quantum field theory, for example. As such, experiments searching for potential nonlinear effects in the electromagnetic sector are important. Here, in this study, we outline such an experiment, consisting of a stream of random bits (which were generated using Rigetti’s Aspen-M-3 chip) as input to an rf signal generator coupled to a cryogenic detector. Projective measurements of the qubit state, which is originally prepared in an equal superposition, serve as the random binary output of a signal generator. Thereafter, spectral analysis of the rf detector would yield a detectable excess signal predicted to arise from such a nonlinear effect. A comparison between the projective measurements of the quantum bits vs the classical baseline showed no power excess. This sets a new limit on the electromagnetic nonlinearity parameter |ε| ⪅ 1.15 x 10 -12 , at a 90.0% confidence level. This is the most stringent limit on nonlinear quantum mechanics thus far and an improvement by nearly a factor of 50 over the previous experimental limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Towards simulation of the dynamics of materials on quantum computers

A highly anticipated application for quantum computers is as a universal simulator of quantum many-body systems, as was conjectured by Richard Feynman in the 1980s. The last decade has witnessed the growing success of quantum computing for simulating static properties of quantum systems, i.e., the ground state energy of small molecules. However, it remains a challenge to simulate quantum many-body dynamics on current-to-near-future noisy intermediate-scale quantum computers. In this work, we demonstrate successful simulation of nontrivial quantum dynamics on IBM's Q16 Melbourne quantum processor and Rigetti's Aspen quantum processor; namely, ultrafast control of emergent magnetism by THz radiation in an atomically-thin two-dimensional material. The full code and step-by-step tutorials for performing such simulations are included to lower the barrier to access for future research on these two quantum computers. As such, this work lays a foundation for the promising study of a wide variety of quantum dynamics on near-future quantum computers, including dynamic localization of Floquet states and topological protection of qubits in noisy environments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Primitive quantum gates for dihedral gauge theories

We describe the simulation of dihedral gauge theories on digital quantum computers. The nonabelian discrete gauge group $D_N$-- the dihedral group -- serves as an approximation to $U(1)\times\mathbb{Z}_2$ lattice gauge theory. In order to carry out such a lattice simulation, we detail the construction of efficient quantum circuits to realize basic primitives including the nonabelian Fourier transform over $D_N$, the trace operation, and the group multiplication and inversion operations. For each case the required quantum resources scale linearly or as low-degree polynomials in $n=\log N$. We experimentally benchmark our gates on the Rigetti Aspen-9 quantum processor for the case of $D_4$. The fidelity of all $D_4$ gates was found to exceed $80\%$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Sampling on NISQ Devices: "Who’s the Fairest One of All?"

Modern NISQ devices are subject to a variety of biases and sources of noise that degrade the solution quality of computations carried out on these devices. A natural question that arises in the NISQ era, is how fairly do these devices sample ground state solutions. To this end, we run five fair sampling problems (each with at least three ground state solutions) that are based both on quantum annealing and, on the Grover Mixer, -QAOA algorithm for gate-based NISQ hardware. In particular, we use seven IBM Q devices, the Aspen-9 Rigetti device, the IonQ device, and three D-Wave quantum annealers. For each of the fair sampling problems, we measure the ground state probability, the relative fairness of the frequency of each ground state solution with respect to the other ground state solutions, and the aggregate error as given by each hardware provider. Overall, our results show that NISQ devices do not achieve fair sampling yet. Furthermore, we also observe differences in the software stack with a particular focus on compilation techniques that illustrate what work will still need to be done to achieve a seamless integration of frontend (i.e., quantum circuit description) and backend compilation.

Computer Science↗
DOE OSTI2021

Fire alters plant microbiome assembly patterns: integrating the plant and soil microbial response to disturbance

Summary It is increasingly evident that the plant microbiome is a strong determinant of plant health. While the ability to manipulate the microbiome in plants and ecosystems recovering from disturbance may be useful, our understanding of the plant microbiome in regenerating plant communities is currently limited. Using 16S ribosomal RNA (rRNA) gene and internal transcribed spacer (ITS) region amplicon sequencing, we characterized the leaf, stem, fine root, rhizome, and rhizosphere microbiome of < 1‐yr‐old aspen saplings and the associated bulk soil after a recent high‐intensity prescribed fire across a burn severity gradient. Consistent with previous studies, we found that soil microbiomes are responsive to fire. We extend these findings by showing that certain plant tissue microbiomes also change in response to fire. Differences in soil microbiome compositions could be attributed to soil chemical characteristics, but, generally, plant tissue microbiomes were not related to plant tissue elemental concentrations. Using source tracking modeling, we also show that fire influences the relative dominance of microbial inoculum and the vertical inheritance of the sapling microbiome from the parent tree. Overall, our results demonstrate how fire impacts plant microbiome assembly, diversity, and composition and highlights potential for further research towards increasing plant fitness and ecosystem recovery after fire events.

16rRNA↗
DOE OSTI2022

Capturing an Early Gene Induction Event during Wood Decay by the Brown Rot Fungus Rhodonia placenta

Brown rot fungi dominate wood decomposition in coniferous forests, and their carbohydrate-selective mechanisms are of commercial interest. Brown rot was recently described as a two-step, sequential mechanism orchestrated by fungi using differentially expressed genes (DEGs) and consisting of oxidation via reactive oxygen species (ROS) followed by enzymatic saccharification. There have been indications, however, that the initial oxidation step itself might require induction. To capture this early gene regulation event, here, we integrated fine-scale cryosectioning with whole-transcriptome sequencing to dissect gene expression at the single-hyphal-cell scale (tens of micrometers). This improved the spatial resolution 50-fold, relative to previous work, and we were able to capture the activity of the first 100 μm of hyphal front growth by Rhodonia placenta in aspen wood. This early decay period was dominated by delayed gene expression patterns as the fungus ramped up its mechanism. These delayed DEGs included many genes implicated in ROS pathways (lignocellulose oxidation [LOX]) that were previously and incorrectly assumed to be constitutively expressed. These delayed DEGs, which include those with and without predicted functions, also create a focused subset of target genes for functional genomics. However, this delayed pattern was not universal, with a few genes being upregulated immediately at the hyphal front. Most notably, this included a gene commonly implicated in hydroquinone and iron redox cycling: benzoquinone reductase.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Time-series RNA metabarcoding of the active Populus tremuloides root microbiome reveals hidden temporal dynamics and dormant core members

The rhizosphere is a critical interface between plant roots and soil, harboring diverse microbial communities that are essential to plant and ecosystem health. Although these communities exhibit stark temporal dynamics, their dormancy/activity transitions remain poorly understood. Such transitions may enable microbes to rapidly adjust functional contributions faster than community turnover alone would allow. Here, we used RNA metabarcoding to characterize the active fraction of microbial communities on the roots of quaking aspen (Populus tremuloides) in a time-series study across a natural environmental gradient. We explore cryptic temporal microbial community dynamics of rhizosphere communities at the ecosystem scale. The active rhizosphere bacterial and fungal communities were more temporally dynamic than total communities, while total communities exhibited a stronger response to site-specific conditions. Notably, some core microbiome members were often inactive, yielding a smaller “active core” subset. The fungal endophyte Hyaloscypha finlandica was the only microbe that was both present and active in all plots across all timepoints. Soil temperature strongly influenced both total and active community composition, with the fungal class Eurotiomycetes showing a temperature-dependent seasonal decline in abundance. Together, these results reveal that modulation of microbial activity levels is a key mechanism by which the plant root holobiont responds to environmental variation, and that even dominant symbionts may frequently persist in dormancy within the rhizosphere.

Community Structure and Diversity↗
DOE OSTI2023

QASMBench: A Low-Level Quantum Benchmark Suite for NISQ Evaluation and Simulation

The rapid development of quantum computing (QC) in the NISQ era urgently demands a low-level benchmark suite and insightful evaluation metrics for characterizing the properties of prototype NISQ devices, the efficiency of QC programming compilers, schedulers and assemblers, and the capability of quantum system simulators in a classical computer. In this work, we fill this gap by proposing a low-level, easy-to-use benchmark suite called QASMBench based on the OpenQASM assembly representation. It consolidates commonly used quantum routines and kernels from a variety of domains including chemistry, simulation, linear algebra, searching, optimization, arithmetic, machine learning, fault tolerance, cryptography, and so on, trading-off between generality and usability. To analyze these kernels in terms of NISQ device execution, in addition to circuit width and depth, we propose four circuit metrics including gate density, retention lifespan, measurement density, and entanglement variance, to extract more insights about the execution efficiency, the susceptibility to NISQ error, and the potential gain from machine-specific optimizations. Applications in QASMBench can be launched and verified on several NISQ platforms, including IBM-Q, Rigetti, IonQ and Quantinuum. For evaluation, we measure the execution fidelity of a subset of QASMBench applications on 12 IBM-Q machines through density matrix state tomography, comprising 25K circuit evaluations. In addition we also compare the fidelity of executions among the IBM-Q machines, the IonQ QPU and the Rigetti Aspen M-1 system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Aspenplus Model For Msw Sorting Process

Unit operations for the MSW sorting process include shredding, magnets for ferrous separation, screening, air classification, eddy current for non-ferrous separation, and near-infrared detection for plastic recovery. The MIXCINC module within Aspen Plus was selected to handle mixed solid streams containing inert (metals and glass) and non-conventional materials (paper, plastics, biomass, organic waste). The Peng-Robinson equation of state with Boston-Mathias modifications was applied to predict properties for a nonconventional solids mix. Enthalpy and density of the non-conventional materials were defined using non-conventional material properties.

Hu, Hongqiang↗
DOE OSTI2024

Feedstock/pretreatment screening for bioconversion of sugar and lignin streams via deacetylated disc-refining

Recent publications have shown the benefits of deacetylation disc-refining (DDR) as a pretreatment process to deconstruct biomass into sugars and lignin residues. Major advantages of DDR pretreatment over steam and dilute acid pretreatment are the removal of acetyl and lignin during deacetylation. DDR does not generate hydroxymethylfurfural (HMF) and furfural which are commonly produced from steam and dilute acid pretreatments. Acetate, lignin, HMF, and furfural are known inhibitors during enzymatic hydrolysis and fermentation. Another advantage of deacetylation is the production of lignin-rich black liquor, which can be upgraded to other bioproducts. Furthermore, due to the lack of sugar degradation during deacetylation, DDR has significantly less sugar loss than other pretreatment methods. Previous studies for DDR have primarily focused on corn stover, but lacked the investigative studies of other feedstocks. This study was designed to screen various DDR process conditions at pilot scale using three different feedstocks, including corn stover, poplar, and switchgrass. The impact of the pretreatment conditions was evaluated by testing hydrolysates for bioconversion to 2,3-butanediol. Pretreatment of biomass by DDR showed high-conversion-yields and 2,3-BDO fermentation production yields. Techno-economic analysis (TEA) of the pretreatment for biomass to sugar was also developed based on NREL’s Aspen Model. This study shows that the cellulose and hemicellulose in poplar was more recalcitrant than herbaceous feedstocks which ultimately drove up the sugar cost. Switchgrass was also more recalcitrant than corn stover but less than poplar.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗