Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “species”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 793 records · Page 44

The genome of jojoba ( Simmondsia chinensis ): A taxonomically isolated species that directs wax ester accumulation in its seeds

Seeds of the desert shrub, jojoba ( Simmondsia chinensis ), are an abundant, renewable source of liquid wax esters, which are valued additives in cosmetic products and industrial lubricants. Jojoba is relegated to its own taxonomic family, and there is little genetic information available to elucidate its phylogeny. Here, we report the high-quality, 887-Mb genome of jojoba assembled into 26 chromosomes with 23,490 protein-coding genes. The jojoba genome has only the whole-genome triplication (γ) shared among eudicots and no recent duplications. These genomic resources coupled with extensive transcriptome, proteome, and lipidome data helped to define heterogeneous pathways and machinery for lipid synthesis and storage, provided missing evolutionary history information for this taxonomically segregated dioecious plant species, and will support efforts to improve the agronomic properties of jojoba.

Sturtevant, Drew↗

Cross-Feedings, Competition, and Positive and Negative Synergies in a Four-Species Synthetic Community for Anaerobic Degradation of Cellulose to Methane

A synthetic community was designed using four microbial species that together performed distinct key metabolic processes in the anaerobic degradation of cellulose to methane and CO 2 . The microorganisms exhibited expected interactions, such as cross-feeding of acetate from a cellulolytic bacterium to an acetoclastic methanogen and competition of H 2 between a sulfate reducing bacterium and a hydrogenotrophic methanogen.

59 BASIC BIOLOGICAL SCIENCES↗

Quantifying Volume Change in Porous Electrodes via the Multi-Species, Multi-Reaction Model

Automotive manufacturers are working to improve individual cell and overall pack design by increasing their performance, durability, and range, while reducing cost; and active material volume change is one of the more complex aspects that needs to be considered during this process. As the time from initial design to manufacture of electric vehicles is decreased, design work that used to rely solely on testing needs to be supplemented or replaced by virtual methods. As electrochemical engineers drive battery and system design using model-based methods, the need for coupled electrochemical/mechanical models that take into account the active material change utilizing physics based or semi-empirical approaches is necessary. In this study, we illustrated the applicability of a mechano-electrochemical coupled modeling method considering the multi-species, multi-reaction model as popularized by Verbrugge and Baker. To do this, validation tests were conducted using a computer-controlled press apparatus that can control the press displacement and press force with precision. The coupled MSMR volume change model was developed and its applicability to graphite and NMC cells was illustrated. The increased accuracy of the model considering the coupled MSMR volume change approach shows in the importance of accounting for individual gallery volume change behavior on cell level predictions.

25 ENERGY STORAGE↗

Quantifying the Entropy and Enthalpy of Insertion Materials for Battery Applications Via the Multi-Species, Multi-Reaction Model

The entropy coefficient of a battery cell is the property that governs the amount of reversible heat that is generated during operation. In this work, we propose an extension of the Multi-Species, Multi-Reaction (MSMR) model to capture the entropy coefficient of a large format lithium-ion battery cell. We utilize the hybridized time-frequency domain analysis (HTFDA) method using a multi-functional calorimeter to probe the entropy coefficient of a large format pouch type lithium-ion battery with a NMC 811 cathode and a graphite anode. The measured entropy coefficient profile of the battery cell is deconvoluted into an entropy coefficient for each active material, which is then estimated using an extension of the MSMR model. Finally, we extend the entropy of a material to individual entropy for each gallery as treated by the model.

Electrochemistry↗

Application of the Multi-Species, Multi-Reaction Model to Coal-Derived Graphite for Lithium-Ion Batteries

Graphite is a critical material used as the negative electrode in lithium-ion batteries. Both natural and synthetic graphites are utilized, with the latter obtained from a range of carbon raw materials. In this paper, efforts to synthesize graphite from coal as a domestic feedstock for synthetic graphite are reported. Domestic coal-derived graphite could address national security and energy issues by standing up domestic supply chains for battery critical materials. The performance in lithium-ion coin cells of this coal derived graphite is compared to a commercial battery-grade graphite. For the first time, a multi-species, multi-reaction (MSMR) modeling technique is applied to synthetic graphite derived from coal. Key thermodynamic, transport, and kinetic parameters are obtained for the coal derived graphite and compared to the same parameters for commercial battery-grade graphite. Modeling of synthetic graphites will allow for virtual evaluation of these materials toward production of domestically sourced graphite.

Paul, Abigail (ORCID:0000000172892069)↗

Quantifying the Temperature Dependence of the Multi-Species, Multi-Reaction Model: Part II. Estimation of Entropy Coefficient for Meso-Carbon Micro-Bead Graphite

In Part 1 of this paper, the temperature impact on the Multi-Species, Multi Reaction (MSMR) model was studied. This was accomplished by acquiring data from slow rate lithiation and delithiation of a meso-carbon micro-bead (MCMB) graphite. Through this analysis, the temperature impact on the total fraction of available host sites in a particular MSMR gallery (X j ), the impact on the reference potential (U$^o_j$), and the impact on the parameter detailing the deviation from Nernstian behavior (ω j ) was determined. Here, the intercalation material is discussed, compared to traditional methods of acquiring the entropy coefficient, and comparison is made to previous mathematical estimates. Some of the challenges in using temperature dependent constant rate charge and discharge data as compared to the potentiodynamic entropy coefficient calculation method are also discussed, and a recommendation for future applications is proposed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantifying the Temperature Dependence of the Multi-Species, Multi-Reaction Model. Part 1: Parameterization for a Meso-Carbon Micro-Bead Graphite

In this work, the temperature impact on the Multi-Species, Multi-Reaction (MSMR) model is studied. This is accomplished by acquiring data from slow rate lithiation and delithiation of a meso-carbon micro-bead (MCMB) graphite. The MSMR model is used to simulate linear-sweep voltammetry data of a porous electrode composed of graphite, and because the electrode is close to a state of dynamic equilibrium, the peaks in the differential voltage spectroscopy plot can be analyzed. Through this analysis, the temperature impact on the total fraction of available host sites in a particular MSMR gallery (X j ), the impact on the reference potential (U° j ), and the impact on the parameter detailing the deviation from Nernstian behavior ( ω j ) can be found. This is the first time the temperature dependence of the MSMR parameters have been experimentally analyzed. In Part 2, the impact of the temperature dependence of the MSMR parameters on the entropy coefficient of an intercalation material will be studied.

Paul, Abigail (ORCID:0000000172892069)↗

Improving precision and accuracy of genetic mapping with genotyping-by-sequencing data in outcrossing species

This dataset contains all data and supplementary materials from "Improving precision and accuracy of genetic mapping with genotyping-by-sequencing data in outcrossing species". An Excel file a list of all QTLs and linkage group length (in cM) obtained with two different SNP-calling methods (Tassel-Uneak and Tassel-GBS), genetic map-construction method (linkage-only and reference order-corrected) and depth filters (12x, 20x, 30x and 40x) for genetic mapping of 18 biomass yield traits in a biparental Miscanthus sinensis population using RAD-Seq SNPs is provided as "Supplementary file 1". A Perl script with the code for filtering VCF and HapMap-formatted data files is provided as “Supplementary file 2”. Phenotype data used for QTL mapping is provided as “Supplementary File 3”. A Perl script with the code for the simulation study is provided as “Supplementary file 4”.

GenotypingSimulator↗

Data from Reactive Species and Reaction Pathways for the Oxidative Cleavage of 4-Octene and Oleic Acid with H2O2 over Tungsten Oxide Catalysts

Oxidative cleavage of carbon–carbon double bonds (C═C) in alkenes and fatty acids produces aldehydes and acids valued as chemical intermediates. Solid tungsten oxide catalysts are low cost, nontoxic, and selective for the oxidative cleavage of C═C bonds with hydrogen peroxide (H2O2) and are, therefore, a promising option for continuous processes. Despite the relevance of these materials, the elementary steps involved and their sensitivity to the form of W sites present on surfaces have not been described. Here, we combine in situ spectroscopy and rate measurements to identify significant steps in the reaction and the reactive species present on the catalysts and examine differences between the kinetics of this reaction on isolated W atoms grafted to alumina and on those exposed on crystalline WO3 nanoparticles. Raman spectroscopy shows that W–peroxo complexes (W–(η2-O2)) formed from H2O2 react with alkenes in a kinetically relevant step to produce epoxides, which undergo hydrolysis at protic surface sites. Subsequently, the CH3CN solvent deprotonates diols to form alpha-hydroxy ketones that react to form aldehydes and water following nucleophilic attack of H2O2. Turnover rates for oxidative cleavage, determined by in situ site titrations, on WOx–Al2O3 are 75% greater than those on WO3 at standard conditions. These differences reflect the activation enthalpies (ΔH‡) for the oxidative cleavage of 4-octene that are much lower than those for the isolated WOx sites (36 ± 3 and 60 ± 6 kJ·mol–1 for WOx–Al2O3 and WO3, respectively) and correlate strongly with the difference between the enthalpies of adsorption for epoxyoctane (ΔHads,epox), which resembles the transition state for epoxidation. The WOx–Al2O3 catalysts mediate oxidative cleavage of oleic acid with H2O2 following a mechanism comparable to that for the oxidative cleavage of 4-octene. The WO3 materials, however, form only the epoxide and do not cleave the C–C bond or produce aldehydes and acids. These differences reflect the distinct site requirements for these reaction pathways and indicate that acid sites required for diol formation are strongly inhibited by oleic acids and epoxides on WO3 whereas the Al2O3 support provides sites competent for this reaction and increase the yield of the oxidative cleavage products.

Catalysis↗

Testing unified theories for ozone response in C4 species

Twenty-two genotypes of C4 species grown under ambient and elevated O3 concentration were studied at the SoyFACE (40°02’N, 88°14’W) in 2019. This dataset contains leaf morphology, photosynthesis and nutrient contents measured at three time points. The results of CO2 response curves are also included.

C4↗

RatXcan: A framework for cross-species integration of genome-wide association and gene expression data

Genome-wide association studies (GWAS) have implicated specific alleles and genes as risk factors for numerous complex traits. However, translating GWAS results into biologically and therapeutically meaningful discoveries remains extremely challenging. Most GWAS results identify noncoding regions of the genome, suggesting that differences in gene regulation are the major driver of trait variability. To better integrate GWAS results with gene regulatory polymorphisms, we previously developed PrediXcan (also known as “transcriptome-wide association studies” orTWAS), which maps SNPs to predicted gene expression using GWAS data. In this study, we developed RatXcan, a framework that extends this methodology to outbred heterogeneous stock (HS) rats. RatXcan accounts for the close familial relationships among HS rats by modeling the relatedness with a random effect that encodes the genetic relatedness. RatXcan also corrects for polygenic-driven inflation because of the equivalence between a relatedness random effect and the infinitesimal polygenic model. To develop RatXcan, we trained transcript predictors for 8,934 genes using reference genotype and expression data from five rat brain regions. We found that the cis genetic architecture of gene expression in both rats and humans was sparse and similar across brain tissues. We tested the association between predicted expression in rats and two example traits (body length and BMI) using phenotype and genotype data from 5,401 densely genotyped HS rats and identified a significant enrichment between the genes associated with rat and human body length and BMI. Thus, RatXcan represents a valuable tool for identifying the relationship between gene expression and phenotypes across species and paves the way to explore shared biological mechanisms of complex traits.

Genetics & Heredity↗

An accurate and interpretable model for antimicrobial resistance in pathogenic Escherichia coli from livestock and companion animal species

Understanding the microbial genomic contributors to antimicrobial resistance (AMR) is essential for early detection of emerging AMR infections, a pressing global health threat in human and veterinary medicine. Here we used whole genome sequencing and antibiotic susceptibility test data from 980 disease causing Escherichia coli isolated from companion and farm animals to model AMR genotypes and phenotypes for 24 antibiotics. We determined the strength of genotype-to-phenotype relationships for 197 AMR genes with elastic net logistic regression. Model predictors were designed to evaluate different potential modes of AMR genotype translation into resistance phenotypes. Our results show a model that considers the presence of individual AMR genes and total number of AMR genes present from a set of genes known to confer resistance was able to accurately predict isolate resistance on average (mean F 1 score = 98.0%, SD = 2.3%, mean accuracy = 98.2%, SD = 2.7%). However, fitted models sometimes varied for antibiotics in the same class and for the same antibiotic across animal hosts, suggesting heterogeneity in the genetic determinants of AMR resistance. We conclude that an interpretable AMR prediction model can be used to accurately predict resistance phenotypes across multiple host species and reveal testable hypotheses about how the mechanism of resistance may vary across antibiotics within the same class and across animal hosts for the same antibiotic.

Chung, Henri C.↗

Forest carbon sequestration on the west coast, USA: Role of species, productivity, and stockability

Forest ecosystems store large amounts of carbon and can be important sources, or sinks, of the atmospheric carbon dioxide that is contributing to global warming. Understanding the carbon storage potential of different forests and their response to management and disturbance events are fundamental to developing policies and scenarios to partially offset greenhouse gas emissions. Projections of live tree carbon accumulation are handled differently in different models, with inconsistent results. We developed growth-and-yield style models to predict stand-level live tree carbon density as a function of stand age in all vegetation types of the coastal Pacific region, US (California, Oregon, and Washington), from 7,523 national forest inventory plots. We incorporated site productivity and stockability within the Chapman-Richards equation and tested whether intensively managed private forests behaved differently from less managed public forests. We found that the best models incorporated stockability in the equation term controlling stand carrying capacity, and site productivity in the equation terms controlling the growth rate and shape of the curve. RMSEs ranged from 10 to 137 Mg C/ha for different vegetation types. There was not a significant effect of ownership over the standard industrial rotation length (~50 yrs) for the productive Douglas-fir/western hemlock zone, indicating that differences in stockability and productivity captured much of the variation attributed to management intensity. Our models suggest that doubling the rotation length on these intensively managed lands from 35 to 70 years would result in 2.35 times more live tree carbon stored on the landscape. These findings are at odds with some studies that have projected higher carbon densities with stand age for the same vegetation types, and have not found an increase in yields (on an annual basis) with longer rotations. We suspect that differences are primarily due to the application of yield curves developed from fully-stocked, undisturbed, single-species, “normal” stands without accounting for the substantial proportion of forests that don’t meet those assumptions. The carbon accumulation curves developed here can be applied directly in growth-and-yield style projection models, and used to validate the predictions of ecophysiological, cohort, or single-tree style models being used to project carbon futures for forests in the region. Our approach may prove useful for developing robust models in other forest types.

Chisholm, Paul J. (ORCID:0000000238784707)↗

Uranyl oxalate species in high ionic strength environments: stability constants for aqueous and solid uranyl oxalate complexes

Uranyl ion, UO 2 2+ , and its aqueous complexes with organic and inorganic ligands can be the dominant species for uranium transport on the Earth surface or in a nuclear waste disposal system if an oxidizing condition is present. As an important biodegradation product, oxalate, C 2 O 4 2– , is ubiquitous in natural environments and is known for its ability to complex with the uranyl ion. Oxalate can also form solid phases with uranyl ion in certain environments thus limiting uranium migration. Therefore, the determination of stability constants for aqueous and solid uranyl oxalate complexes is important not only to the understanding of uranium mobility in natural environments, but also to the performance assessment of nuclear waste disposal. In this work, we developed a thermodynamic model for the UO 2 2+ –Na + –H + –Cl – –ClO 4 – –C 2 O 4 2– –NO 3 – –H 2 O system to ionic strength up to ~11 mol•kg –1 . We constrained the stability constants for UO 2 C 2 O 4 (aq) and UO 2 (C 2 O 4 ) 2 2– at infinite dilution based on our evaluation of the literature data over a wide range of ionic strengths up to ~11 mol•kg –1 . We also obtained the solubility constants at infinite dilution for solid uranyl oxalates, UO 2 C 2 O 4 •3H 2 O, based on the solubility data over a wide range of ionic strengths. The developed model will enable for the accurate stability assessment of oxalate complexes affecting uranium mobility under a wide range of conditions including those in deep geological repositories.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Photosynthetic and stomatal response, and leaf traits, of two pine species, Talladega National Forest, Alabama, 2023

Photosynthetic response to irradiance (AQ), CO2 (ACi) and stomatal response to irradiance measurements on two pine species common to the southeast United States, long leaf pine, Pinus palustris Mill., and loblolly pine, Pinus taeda L.. Data were collected in June 2023 within the Oakmulgee District of the Talladega National Forest in west-central Alabama at the NEON site (TALL). Measurements were made with four LI-COR LI-6800 and one LI-COR LI-6400XT gas exchange systems. ACi and AQ curves enable the estimation of photosynthetic parameters (e.g., Vcmax, Jmax, Rd, aQY), while stomatal response curves enable the estimation of stomatal slope and intercept parameters. Foliar trait data (needle dimensions, leaf mass per area, leaf nitrogen concentration) is provided for all gas exchange samples. The data package files include multiple raw and processed data files (csv), metadata files (csv), the complete instrument output for all measurements in .zip format, and a pdf describing the experimental protocol.

54 ENVIRONMENTAL SCIENCES↗

Harmonized wood density data for Central Amazon species in the BIONTE experimental area in Manaus, Brazil

BIONTE (BIOmass and NuTrient Experiment) is a selective logging experiment established at the Experimental Station of Tropical Forestry (EEST, aka “ZF2”) field research station in the mid 1980s in the central Amazon (Higuchi et al. 1997, Amaral et al. 2019). The main data related to BIONTE are available as a separate dataset (Lima et al. 2022). Only species identified within the BIONTE plots were included in this dataset. Wood density, expressed in g cm-3, was collated from multiple sources that were integrated to compose the wood density for BIONTE. The starting point used was wood density data available from Chave et al. (2006), which was then adapted by Marra et al. (2016) and Marra et al. (2018). We also included data collected and synthesized by Ramírez-Méndez (2018) and Gimenez et al.(2021), who combined local estimates of wood density at the site with other sources collected in the Central Amazon. Data are included in .csv files, while BIONTE_WD_headers.txt provides descriptions of data file headers.

54 ENVIRONMENTAL SCIENCES↗