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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Development of a continuous synthesis process for carbamazepine using validated in-line Raman spectroscopy and kinetic modelling for disturbance simulation

Mitigation of failure modes in the continuous synthesis (CS) of a drug substance (DS) has the potential to widen the adoption of continuous manufacturing (CM) technologies by the pharmaceutical industry. Here, this work demonstrates the development of a robust continuous process for the synthesis of carbamazepine (CBZ), an essential medicine as per the World Health Organization (WHO), facilitated by kinetic modelling and monitored by in-line Raman spectroscopy. Accurate kinetic modelling and the use of validated process analytical technology (PAT) models for quantitative measurement were found to play an important role in developing CS of drug substances. Kinetic data for the formation of CBZ from iminostilbene (ISB) were collected by batch reaction sampling and high-performance liquid chromatography (HPLC) analysis. A non-linear solver and iterative method was applied to determine two sets of Arrhenius parameters simultaneously for the reaction system by minimizing the standard error of the model fit. The start-up and dynamic equilibrium stages for the CS of CBZ using a continuous stirred tank reactor (CSTR) were modelled based on the batch kinetic data and employed to optimize conversion and simulate process disturbances. An in-line Raman spectroscopy method was successfully developed, validated, and integrated to determine the concentrations of CBZ and ISB within the operating range for the CS. The CS kinetic model was evaluated experimentally from startup to dynamic equilibrium over 10 residence times with monitoring by HPLC and in-line Raman spectroscopy. The developed kinetic model in tandem with in-line Raman spectroscopy successfully predicted disturbances due to changes in process variables and can serve as a useful tool in the future design of advanced process control strategies for the continuous synthesis of CBZ.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Feasibility of carbon foam-based sorbents for the abatement of gaseous mercury and iodine

The U.S. Department of Energy Hanford Site in Washington State is in the process of commissioning the Waste Treatment and Immobilization Plant to process a portion of the 54 million gallons of radioactive and chemical waste from cold war weapon production. Technologies for the capture of volatile species of concern are still being assessed, and new methods and materials are developed as operational and flowsheet mission risks are identified. One such area still being assessed is the abatement efficacy of the Carbon Adsorber units to retain gaseous mercury and 129 I released during processing. It is challenging to predict the mercury chemistry due to the variability of the feed, and different methods/materials are required for the capture of gaseous Hg 0 and Hg II compounds. In this study, the feasibility of using developmental carbon foam (CF) sorbents for the capture of iodine and mercury was assessed using static and dynamic flow testing and compared against a commercially available sorbent, BATII-37. Both CF and CF functionalized with bismuth particles (CF-Bi) chemisorbed iodine, and CF-Bi had similar mercury capture performance to BATII-37 in dynamic flow tests. While species loading concentrations were measurable, limitations in achieving a mass balance prevented a full evaluation of capture efficacy. Nonetheless, the results serve as an important first step in demonstrating the potential for simultaneous iodine and mercury capture.

Hanford site↗
DOE OSTI2025

Wind and solar energy droughts: Potential impacts on energy system dynamics and research needs

This Perspective article provides a brief overview of the topic of wind and solar energy droughts (henceforth WSDs). It does not attempt to provide a complete literature review of the subject but rather highlights some of the main concepts associated with WSDs. These include wind and solar energy drought definitions and metrics; meteorological conditions producing WSDs; a comparison of their characteristics with hydrologic droughts and hydropower droughts; model-based and observational datasets useful for WSD analyses; the linkage of WSDs to transmission, storage, and demand response; the potential impacts of WSDs vs energy demand variations; wind and solar flood events; WSD predictability; WSD dependency on climate modes of variability; climate change impacts on WSDs; and the special challenge of evaluating the characteristics of WSDs in developing countries that have limited historical data available. Finally, the manuscript identifies research areas that the authors believe would provide immediate benefit to energy system planners.

14 SOLAR ENERGY↗
DOE OSTI2022

Carbon flux estimates are sensitive to data source: a comparison of field and lab temperature sensitivity data

Abstract A large literature exists on mechanisms driving soil production of the greenhouse gases CO 2 and CH 4 . Although it is common knowledge that measurements obtained through field studies vs. laboratory incubations can diverge because of the vastly different conditions of these environments, few studies have systematically examined these patterns. These data are used to parameterize and benchmark ecosystem- to global-scale models, which are then susceptible to the biases of the source data. Here, we examine how greenhouse gas measurements may be influenced by whether the measurement/incubation was conducted in the field vs. laboratory, focusing on CO 2 and CH 4 measurements. We use Q 10 of greenhouse gas flux (temperature sensitivity) for our analyses because this metric is commonly used in biological and Earth system sciences and is an important parameter in many modeling frameworks. We predicted that laboratory measurements would be less variable, but also less representative of true field conditions. However, there was greater variability in the Q 10 values calculated from lab-based measurements of CO 2 fluxes, because lab experiments explore extremes rarely seen in situ , and reflect the physical and chemical disturbances occurring during sampling, transport, and incubation. Overall, respiration Q 10 values were significantly greater in laboratory incubations (mean = 4.19) than field measurements (mean = 3.05), with strong influences of incubation temperature and climate region/biome. However, this was in part because field measurements typically represent total respiration (Rs), whereas lab incubations typically represent heterotrophic respiration (Rh), making direct comparisons difficult to interpret. Focusing only on Rh-derived Q 10 , these values showed almost identical distributions across laboratory ( n = 1110) and field ( n = 581) experiments, providing strong support for using the former as an experimental proxy for the latter, although we caution that geographic biases in the extant data make this conclusion tentative. Due to a smaller sample size of CH 4 Q 10 data, we were unable to perform a comparable robust analysis, but we expect similar interactions with soil temperature, moisture, and environmental/climatic variables. Our results here suggest the need for more concerted efforts to document and standardize these data, including sample and site metadata.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Feedstock variability impacts the bioconversion of sugar and lignin streams derived from corn stover by Clostridium tyrobutyricum and engineered Pseudomonas putida

Abstract Feedstock variability represents a challenge in lignocellulosic biorefineries, as it can influence both lignocellulose deconstruction and microbial conversion processes for biofuels and biochemicals production. The impact of feedstock variability on microbial performance remains underexplored, and predictive tools for microbial behaviour are needed to mitigate risks in biorefinery scale‐up. Here, twelve batches of corn stover were deconstructed via deacetylation, mechanical refining, and enzymatic hydrolysis to generate lignin‐rich and sugar streams. These batches and their derived streams were characterised to identify their chemical components, and the streams were used as substrates for producing muconate and butyrate by engineered Pseudomonas putida and wildtype Clostridium tyrobutyricum , respectively. Bacterial performance (growth, product titers, yields, and productivities) differed among the batches, but no strong correlations were identified between feedstock composition and performance. To provide metabolic insights into the origin of these differences, we evaluated the effect of twenty‐three isolated chemical components on these microbes, including three components in relevant bioprocess settings in bioreactors, and we found that growth‐inhibitory concentrations were outside the ranges observed in the streams. Overall, this study generates a foundational dataset on P. putida and C. tyrobutyricum performance to enable future predictive models and underscores their resilience in effectively converting fluctuating lignocellulose‐derived streams into bioproducts.

09 BIOMASS FUELS↗
DOE OSTI2024

Tropical root responses to global changes: A synthesis

Tropical ecosystems face escalating global change. These shifts can disrupt tropical forests' carbon (C) balance and impact root dynamics. Since roots perform essential functions such as resource acquisition and tissue protection, root responses can inform about the strategies and vulnerabilities of ecosystems facing present and future global changes. However, root trait dynamics are poorly understood, especially in tropical ecosystems. We analyzed existing research on tropical root responses to key global change drivers: warming, drought, flooding, cyclones, nitrogen (N) deposition, elevated (e) CO 2 , and fires. Based on tree species- and community-level literature, we obtained 266 root trait observations from 93 studies across 24 tropical countries. We found differences in the proportion of root responsiveness to global change among different global change drivers but not among root categories. In particular, we observed that tropical root systems responded to warming and eCO 2 by increasing root biomass in species-scale studies. Drought increased the root: shoot ratio with no change in root biomass, indicating a decline in aboveground biomass. Despite N deposition being the most studied global change driver, it had some of the most variable effects on root characteristics, with few predictable responses. Episodic disturbances such as cyclones, fires, and flooding consistently resulted in a change in root trait expressions, with cyclones and fires increasing root production, potentially due to shifts in plant community and nutrient inputs, while flooding changed plant regulatory metabolisms due to low oxygen conditions. The data available to date clearly show that tropical forest root characteristics and dynamics are responding to global change, although in ways that are not always predictable. This synthesis indicates the need for replicated studies across root characteristics at species and community scales under different global change factors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Warming homogenizes apparent temperature sensitivity of ecosystem respiration

Warming-induced carbon loss through terrestrial ecosystem respiration (Re) is likely getting stronger in high latitudes and cold regions because of the more rapid warming and higher temperature sensitivity of Re (Q 10 ). However, it is not known whether the spatial relationship between Q 10 and temperature also holds temporally under a future warmer climate. Here, we analyzed apparent Q 10 values derived from multiyear observations at 74 FLUXNET sites spanning diverse climates and biomes. We found warming-induced decline in Q 10 is stronger at colder regions than other locations, which is consistent with a meta-analysis of 54 field warming experiments across the globe. We predict future warming will shrink the global variability of Q 10 values to an average of 1.44 across the globe under a high emission trajectory (RCP 8.5) by the end of the century. Therefore, warming-induced carbon loss may be less than previously assumed because of Q 10 homogenization in a warming world.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Data Agnostic Feature-Target Analysis & Ranking Machine Learning Pipeline (DAFTAR-ML) v0.1.0

DAFTAR-ML is a specialized machine-learning pipeline that identifies relevant features based on their relationship to a target variable. Many ML pipelines focus solely on prediction, and feature ranking is often absent or lacks robust statistical methods. DAFTAR-ML performs its tasks with this outcome in mind. Model training is robust, using nested cross-validation and hyperparameter tuning. Instead of relying on native feature-importance scores, it employs SHAP (SHapley Additive exPlanations) to quantify feature importance. The pipeline also produces comprehensive results, including publication-quality visualizations.

Melie, Tina [Lawrence Berkeley National Laboratory↗
DOE OSTI2022

Data for: Patel et al. Carbon flux estimates are sensitive to data source: A comparison of field and lab temperature sensitivity data

This dataset contains data and code used for the paper "Carbon flux estimates are sensitive to data source: A comparison of field and lab temperature sensitivity data" [DOI COMING SOON]A large literature exists on mechanisms driving soil production of the greenhouse gases CO2 and CH4. Measurements of these gases’ fluxes are often performed using closed-chamber incubations in the laboratory or in situ, i.e., in the field. Although it is common knowledge that measurements obtained through field studies vs. laboratory incubations can diverge because of the vastly different conditions of these environments, few studies have systematically examined these patterns. It is crucial to understand the magnitude and reasons for any differences, as these data are used to parametrize and benchmark ecosystem- to global-scale models, which are then susceptible to the biases of the source data. Here, we specifically examine how greenhouse gas measurements may be influenced by whether the measurement/incubation was conducted in the field vs. laboratory, focusing on CO2 and CH4 measurements. We use Q10 of greenhouse gas flux (temperature sensitivity) for our analyses, because of the ubiquity of this metric in biological and Earth system sciences and its importance to many modeling frameworks. We predicted that laboratory measurements would be less variable, but also less representative of true field conditions. However, there was greater variability in the Q10 values calculated from lab-based measurements of CO2 fluxes, because lab experiments explore extremes rarely seen in situ, and reflect the physical and chemical disturbances occurring during sampling, transport, and incubation. Overall, respiration Q10 values were significantly greater in laboratory incubations (mean = 4.19) than field measurements (mean = 3.05), with strong influences of incubation temperature and climate region/biome. However, this was in part because field measurements typically represent total respiration (Rs), whereas lab incubations typically represent heterotrophic respiration (Rh), making direct comparisons difficult to interpret. Focusing only on Rh-derived Q10, these values showed almost identical distributions across laboratory (n = 1110) and field (n = 581) experiments, providing strong support for using the former as an experimental proxy for the latter, although we caution that geographic biases in the extant data make this conclusion tentative. Due to a smaller sample size of CH4 Q10 data, we were unable to perform a comparable robust analysis, but we expect similar interactions with soil temperature, moisture, and environmental/climatic variables. Our results here suggest the need for more concerted efforts to document and standardize these data, including sample and site metadata. This dataset contains a compressed (.zip) archive of the data and R scripts used for this manuscript. The dataset includes files in .csv format, which can be accessed and processed using MS Excel or R. This archive can also be accessed on GitHub at https://github.com/kaizadp/field_lab_q10 (DOI: 10.5281/zenodo.7106554).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Freezing Processes in Southern Ocean Mixed Phase Clouds (Final Technical Report)

Southern Ocean (SO) low-level clouds remain a challenge for Earth system models to represent accurately. This project utilized DOE ARM observations and the Community Atmosphere Model (CAM) to improve process-level understanding of aerosol-cloud interactions and cloud microphysics for SO mixed-phase clouds. Specifically, our efforts include two main topics: 1) investigate the SO aerosol, cloud condensation nuclei (CCN), and ice nucleating particle (INP) population based on observations and determine predictive skill of simulating SO INPs, and 2) assess the ice formation pathways, including ice nucleation and secondary ice production, in SO mixed phase clouds utilizing a combination of observations and modeling tools. Studies focused on SO aerosol and INP resulted four manuscripts. Ice formation pathways in SO mixed phase clouds were investigated, revealing observed evidence of SIP active across all mixed phase temperatures. However, a key finding of this project is that despite significant progress in predicting SO INPs, the role of INP variability in SO cloud phase, precipitation, and radiative properties remain unknown due to challenges in microphysics parameterizations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Near-infrared Census of RR Lyrae Variables in the Messier 3 Globular Cluster and the Period–Luminosity Relations

We present new near-infrared (NIR), JHK {sub s}, time-series observations of RR Lyrae variables in the Messier 3 (NGC 5272) globular cluster using the WIRCam instrument at the 3.6 m Canada–France–Hawaii Telescope. Our observations cover a sky area of ∼21′ × 21′ around the cluster center and provide an average of 20 epochs of homogeneous JHK {sub s}-band photometry. New homogeneous photometry is used to estimate robust mean magnitudes for 175 fundamental-mode (RRab), 47 overtone-mode (RRc), and 11 mixed-mode (RRd) variables. Our sample of 233 RR Lyrae variables is the largest thus far obtained in a single cluster with time-resolved, multiband NIR photometry. NIR-to-optical amplitude ratios for RR Lyrae in Messier 3 exhibit a systematic increase moving from RRc to short-period (P < 0.6 day) and long-period (P ≳ 0.6 day) RRab variables. We derive JHK {sub s}-band period–luminosity relations for RRab, RRc, and the combined sample of variables. Absolute calibrations based on the theoretically predicted period–luminosity–metallicity relations for RR Lyrae stars yield a distance modulus, μ=15.041±0.017 (statistical)±0.036 (systematic) mag, to Messier 3. When anchored to trigonometric parallaxes for nearby RR Lyrae stars from the Hubble Space Telescope and the Gaia mission, our distance estimates are consistent with those resulting from the theoretical calibrations, albeit with relatively larger systematic uncertainties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

An Investigation into the Effects of Swirl on the Performance and Emissions of an Opposed-Piston Two-Stroke Engine using Large Eddy Simulations

Opposed-piston two-stroke (OP-2S) engines have the potential to achieve higher thermal efficiency than a conventional four-stroke diesel engine. However, the uniflow scavenging process is difficult to control over a wider range of speed and loads due to its sensitivity to pressure dynamics, port timings, and port design. Specifically, the angle of the intake ports can be used to generate swirl which has implications for open and closed cycle effects. This study proposes an analysis of the effects of port angle on the in-cylinder flow distribution and combustion performance of an OP-2S using computational fluid dynamics engine. Large Eddy Simulation (LES) was used to model turbulence given its ability to predict in-cylinder mixing and cyclic variability. A three-cylinder model was validated to experimental data collected by Achates Power and the grid was verified using an LES quality approach from the literature. The model was used to simulate port angles from 12 to 29 degrees at constant pressure and temperature boundary conditions. Results indicated that the higher bulk swirl ratio generated by larger port angles tends to trap more internal residuals. This effect on the scavenging performance, combined with the larger trapped swirl ratio, also has a significant impact on the combustion performance in a two-stroke engine. It was concluded that there exists a tradeoff of efficiency and emissions that must be considered when increasing the port angle in a uniflow two-stroke engine. 1. Introduction Two-stroke engines were developed in the 1800s and are commonly used in practice today for lightweight power applications such as motorcycles or handheld power tools, as well as large-bore low speed engines for stationary power and marine applications. Two-stroke engines provide the distinct advantage of higher torque/power output but present challenges due to its coupled intake and exhaust process. Four-stroke engines have the benefit of using two full piston strokes to induct intake charge and to expel exhaust gases. Controlling the trapped charge composition in a twostroke engine via a scavenging process is crucial for reliable and efficient engine operation.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Present-day correlations are insufficient to predict cloud albedo change by anthropogenic aerosols in E3SM v2

Cloud albedo susceptibility to droplet number perturbation remains a source of uncertainty in understanding aerosol–cloud interactions and thus both past and present climate states. Through the Energy Exascale Earth System Model (E3SM) v2 experiments, we probe the effects of competing processes on cloud albedo susceptibility of low-lying marine stratocumulus in the northeast Pacific. In present-day conditions, we find that increasing precipitation suppression by aerosols increases cloud albedo susceptibility, whereas increasing cloud sedimentation decreases it. By constructing a hypothetical model configuration exhibiting negative susceptibility under all conditions, we conclude that cloud albedo change due to aerosol perturbation cannot be predicted by present-day co-variabilities in E3SM v2. As such, our null result herein challenges the assumption that present-day climate observations are sufficient to constrain past states, at least in the context of cloud albedo changes to aerosol perturbation.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1973

Carbide factor predicts rolling-element bearing fatigue life

Analysis was made to determine correlation between number and size of carbide particles and rolling-element fatigue. Correlation was established, and carbide factor was derived that can be used to predict fatigue life more effectively than such variables as heat treatment, chemical composition, and hardening mechanism.

Chevalier, J. L.↗
NASA NTRS1979

Statistical characterization of the fatigue behavior of composite lamina

A theoretical model was developed to predict statistically the effects of constant and variable amplitude fatigue loadings on the residual strength and fatigue life of composite lamina. The parameters in the model were established from the results of a series of static tensile tests and a fatigue scan and a number of verification tests were performed. Abstracts for two other papers on the effect of load sequence on the statistical fatigue of composites are also presented.

Yang, J. N.↗
NASA NTRS1981

The high energy X-ray spectrum of 4U 0900-40 observed from OSO 8

The X-ray source 4U 0900-40 (= Vela XR-1) was observed with the high-energy X-ray spectrometer on OSO 8 for one week in 1976 and three weeks in 1978. Spectra of the source are presented above 16 keV. No systematic difference exists between the X-ray eclipse centers and the eclipse centers predicted from optical ephermerides. Short period intrinsic variability in the system's X-ray intensity may be related to changes in the Compton scattering optical depth in the system and does not require sporadic mass transfer via Roche lobe overflow. The 282 s modulation in the source's X-ray flux above 21 keV consists of two essentially similar pulses per period, most easily interpreted as arising from the two different magnetic poles of a rotating neutron star. The secondary appears to be a spherically accreting, magnetic neutron star.

Dolan, J. F.↗