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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Ultrafast population and structural dynamics of a Ni-bipyridine photoredox catalyst reveal a significant deactivation pathway

The ultrafast excited state pathways and dynamics of NiII-bipyridine complexes influence the yield of photochemical processes involved in their catalytic cross-coupling reactions. Here we present ultrafast Ni K x-ray emission spectroscopy (XES) and x-ray solution scattering (XSS) of a NiII-bipyridine aryl halide complex, [Ni(t-Bubpy)(o-tol)Br], to quantify the excited state population dynamics and structural changes of the pre-catalyst. Due to the local spin-sensitivity of XES, the population dynamics of metal-to-ligand charge transfer (MLCT) and metal-centered (MC) excited states is established. A rapid ground state recovery pathway is newly identified, representing a significant deactivation pathway during photocatalysis. Furthermore, the pseudotetrahedral structure of the long-lived MC excited state is unambiguously identified and refined by XSS. The results advance our understanding of the ultrafast relaxation mechanisms that impact the photocatalytic mechanism and yield for NiII-bipyridine aryl halide cross-coupling catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Assessing overall building energy performance of a large population of residential single-family homes using limited field data

The U.S. Department of Energy (DOE), through the Building Energy Codes Program (BECP), supports building energy code development and implementation processes to achieve the maximum practicable, cost-effective improvements in energy efficiency while providing safe, healthy buildings for occupants. Currently, there is a lack of statistically representative data that shows how energy codes are implemented in the field and the energy savings opportunities that exist. To address this gap, DOE initiated a research study targeted at new residential single-family homes in 8 states starting in the fall of 2014. The study comprises of a baseline phase to determine current levels of compliance with the key energy provisions of the residential building energy code, identify issues, and calculate potential energy savings from improved compliance; a second phase implementing education, training and outreach activities designed to increase targeted code compliance; and a post-study phase to measure the impact of the training and outreach activities compared to the baseline phase. Initial analyses determined the code requirements with the largest energy impact and the minimum number of observations required to detect statistically significant differences in energy use. Data was collected in the field during a single site visit to avoid bias from repeat visits. However, the single site visit principle prevented energy simulation of individual homes due to the lack of all required model inputs. To address this, energy simulation was conducted using Pacific Northwest National Laboratory’s prototype building models and employing bootstrap random sampling on the data collected from all homes visited. The modeled energy consumption using the observed field data was evaluated relative to that associated with the minimum code requirements and potential savings associated with improved compliance of select items were assessed. This paper discusses the methodology developed for this field study, and presents the results and findings from the baseline phase.

Xie, YuLong↗
DOE OSTI2020

The Frequency of Sex: Population Genomics Reveals Differences in Recombination and Population Structure of the Aflatoxin-Producing Fungus Aspergillus flavus

The apparent rarity of sex in many fungal species has raised questions about how much sex is needed to purge deleterious mutations and how differences in frequency of sex impact fungal evolution. We sought to determine how differences in the extent of recombination between populations of Aspergillus flavus impact the evolution of genes associated with the synthesis of aflatoxin, a notoriously potent carcinogen. We sequenced the genomes of, and quantified aflatoxin production in, 94 isolates of A. flavus sampled from seven states in eastern and central latitudinal transects of the United States. The overall population is subdivided into three genetically differentiated populations (A, B, and C) that differ greatly in their extent of recombination, diversity, and aflatoxin-producing ability. Estimates of the number of recombination events and linkage disequilibrium decay suggest relatively frequent sex only in population A. Population B is sympatric with population A but produces significantly less aflatoxin and is the only population where the inability of nonaflatoxigenic isolates to produce aflatoxin was explained by multiple gene deletions. Population expansion evident in population B suggests a recent introduction or range expansion. Population C is largely nonaflatoxigenic and restricted mainly to northern sampling locations through restricted migration and/or selection. Despite differences in the number and type of mutations in the aflatoxin gene cluster, codon optimization and site frequency differences in synonymous and nonsynonymous mutations suggest that low levels of recombination in some A. flavus populations are sufficient to purge deleterious mutations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Data from: "Declines in low-elevation subalpine tree populations outpace growth in high-elevation populations with warming"

This data package contains model data that were used to support conclusions drawn in “Declines in low-elevation subalpine populations outpace growth in high-elevation populations with warming”, by Conlisk et al. 2017. Experimental data collected at field sites within the Alpine Treeline Warming Experiment (ATWE), and data from long-term observational plots were collected on Niwot Ridge, Colorado, USA and used to formulate models contained within the folder “Model_archive” in the zipped folder “Conlisk_etal_JEcol2017_model_archive12022020.zip”. The contents of this compressed folder are described in the data user's guide attached to this archive.There are two folders within the zipped folder - “EngelmannSpruce” and “LimberPine” - for each of the two species in the paper. Models are stored as text files and .sch files can also be opened as text files. However, please note that all these files are specific to the RAMAS Metapop population modeling software, and you will need the program in order to be able to run these models. There are two separate documents, both named “Conlisk_JofEcology_SI_01262017” within “Model_archive”. One is a Microsoft Word file, and the other is a PDF. The former can be opened with Microsoft Word, and the latter can be opened by Adobe Acrobat Reader, or any software compatible with a PDF.------------------1. Species distribution shifts in response to climate change require that recruitment increase beyond current range boundaries. For trees with long lifespans, the importance of climate-sensitive seedling establishment to the pace of range shifts has not been demonstrated quantitatively. 2. Using spatially explicit, stochastic population models combined with data from long-term forest surveys, we explored whether the climate-sensitivity of recruitment observed in climate manipulation experiments was sufficient to alter populations and elevation ranges of two widely distributed, high-elevation North American conifers. 3. Empirically observed, warming-driven declines in recruitment led to rapid modeled population declines at the low-elevation, “warm edge” of subalpine forest and slow emergence of populations beyond the high-elevation, “cool edge”. Because population declines in the forest occurred much faster than population emergence in the alpine, we observed range contraction for both species. For Engelmann spruce, this contraction was permanent over the modeled time horizon, even in the presence of increased moisture. For limber pine, lower sensitivity to warming may facilitate persistence at low elevations – especially in the presence of increased moisture – and rapid establishment above treeline, and, ultimately, expansion into the alpine. 4. Synthesis. Assuming 21st century warming and no additional moisture, population dynamics in high-elevation forests led to transient range contractions for limber pine and potentially permanent range contractions for Engelmann spruce. Thus, limitations to seedling recruitment with warming can constrain the pace of subalpine tree range shifts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Relative Importance of Vital Rates to Population Dynamics of Wood Ducks

The wood duck (Aix sponsa) is a common and important cavity-nesting duck in North America; however, we know very little about how changes in vital rates influence population growth rate (λ). We used estimates of fertility and survival of female wood ducks from our nest-box studies in South Carolina, Alabama, and Georgia, USA, to create a stage-based matrix population model. We conducted perturbation analyses and ranked elasticity values to examine the relative importance of 17 component vital rates to λ. Female survival is influenced by nest success, so we recognized this female heterogeneity in our analyses. Four vital rates showed the greatest importance to λ. Analytic elasticities were greatest for breeding season and nonbreeding season survival of females that nested successfully, followed by nest success and female recruitment to the breeding population. Differences in female quality were important to λ. Next, we used process variation of vital rates and conducted life-stage simulation analyses (LSA) followed by variance decomposition to determine the amount of variation in λ explained by each vital rate. Female recruitment to the breeding population explained 57.7% of the variation in λ followed by nest success (11.4%), and breeding and nonbreeding season survival of females that nested successfully (9.3% and 9.4%, respectively). Together these 4 vital rates explained 88% of the variation in λ. Mean asymptotic population growth rate (λ = 0.80 ± 0.08 [SD]) from LSA revealed a declining population. Recruitment of females hatched from nest boxes was insufficient to sustain the nest-box population. Furthermore, including yearling (SY) females that were produced outside of nest boxes (i.e., immigrants) increased recruitment rates 1.5 to 2 times more than when only SY females recruited from nest boxes were included. Future research that examines how emigration and immigration interact with survival and reproduction to influence local population dynamics of wood ducks will be important for identifying the value of nest-box programs to wood duck conservation and management.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Declines in low-elevation subalpine tree populations outpace growth in high-elevation populations with warming

Species distribution shifts in response to climate change require that recruitment increase beyond current range boundaries. For trees with long life spans, the importance of climate-sensitive seedling establishment to the pace of range shifts has not been demonstrated quantitatively. Using spatially explicit, stochastic population models combined with data from long-term forest surveys, we explored whether the climate-sensitivity of recruitment observed in climate manipulation experiments was sufficient to alter populations and elevation ranges of two widely distributed, high-elevation North American conifers. Empirically observed, warming-driven declines in recruitment led to rapid modelled population declines at the low-elevation, ‘warm edge’ of subalpine forest and slow emergence of populations beyond the high-elevation, ‘cool edge’. Because population declines in the forest occurred much faster than population emergence in the alpine, we observed range contraction for both species. For Engelmann spruce, this contraction was permanent over the modelled time horizon, even in the presence of increased moisture. For limber pine, lower sensitivity to warming may facilitate persistence at low elevations – especially in the presence of increased moisture – and rapid establishment above tree line, and, ultimately, expansion into the alpine. Synthesis. Assuming 21st century warming and no additional moisture, population dynamics in high-elevation forests led to transient range contractions for limber pine and potentially permanent range contractions for Engelmann spruce. Thus, limitations to seedling recruitment with warming can constrain the pace of subalpine tree range shifts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Radiation belt seed population and its association with the relativistic electron dynamics: A statistical study: Radiation Belt Seed Population

Using the Van Allen Probes data, we study the radiation belt seed population and it associated with the relativistic electron dynamics during 74 geomagnetic storm events. Based on the flux changes of 1 MeV electrons before and after the storm peak, these storm events are divided into two groups of “non-preconditioned” and “preconditioned”. The statistical study shows that the storm intensity is of significant importance for the distribution of the seed population (336 keV electrons) in the outer radiation belt. However, substorm intensity can also be important to the evolution of the seed population for some geomagnetic storm events. For non-preconditioned storm events, the correlation between the peak fluxes and their L-shell locations of the seed population and relativistic electrons (592 keV, 1.0 MeV, 1.8 MeV, and 2.1 MeV) is consistent with the energy-dependent dynamic processes in the outer radiation belt. For preconditioned storm events, the correlation between the features of the seed population and relativistic electrons is not fully consistent with the energy-dependent processes. It is suggested that the good correlation between the radiation belt seed population and ≤1.0 MeV electrons contributes to the prediction of the evolution of ≤1.0 MeV electrons in the Earth’s outer radiation belt during periods of geomagnetic storms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Robustness of a model microbial community emerges from population structure among single cells of a clonal population

Microbial populations can withstand, overcome and persist in the face of environmental fluctuation. Previously, we demonstrated how conditional gene regulation in a fluctuating environment drives dilution of condition-specific transcripts, causing a population of Desulfovibrio vulgaris Hildenborough (DvH) to collapse after repeatedly transitioning from sulfate respiration to syntrophic conditions with the methanogen Methanococcus maripaludis. Failure of the DvH to successfully transition contributed to the collapse of this model community. We investigated the mechanistic basis for loss of robustness by examining whether conditional gene regulation altered heterogeneity in gene expression across individual DvH cells. We discovered that robustness of a microbial population across environmental transitions was attributable to the retention of cells in two states that exhibited different condition-specific gene expression patterns. In our experiments, a population with disrupted conditional regulation successfully alternated between cell states. Meanwhile, a population with intact conditional regulation successfully switched between cell states initially, but collapsed after repeated transitions, possibly due to the high energy requirements of regulation. These results demonstrate that the survival of this entire model microbial community is dependent on the regulatory system's influence on the distribution of distinct cell states among individual cells within a clonal population.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Inference and analysis of population-specific fine-scale recombination maps across 26 diverse human populations

Fine-scale rates of meiotic recombination vary by orders of magnitude across the genome and differ between species and even populations. Studying cross-population differences has been stymied by the confounding effects of demographic history. To address this problem, we developed a demography-aware method to infer fine-scale recombination rates and applied it to 26 diverse human populations, inferring population-specific recombination maps. These maps recapitulate many aspects of the history of these populations including signatures of the trans-Atlantic slave trade and the Iberian colonization of the Americas. We also investigated modulators of the local recombination rate, finding further evidence that Polycomb group proteins and the trimethylation of H3K27 elevate recombination rates. Further differences in the recombination landscape across the genome and between populations are driven by variation in the gene that encodes the DNA binding protein PRDM9, and we quantify the weak effect of meiotic drive acting to remove its binding sites.

Science & Technology - Other Topics↗
DOE OSTI2017

Yonsei Evolutionary Population Synthesis (YEPS). II. Spectro-photometric Evolution of Helium-enhanced Stellar Populations

The discovery of multiple stellar populations in Milky Way globular clusters (GCs) has stimulated various follow-up studies on helium-enhanced stellar populations. Here we present the evolutionary population synthesis models for the spectro-photometric evolution of simple stellar populations (SSPs) with varying initial helium abundance ( Y {sub ini}). We show that Y {sub ini} brings about dramatic changes in spectro-photometric properties of SSPs. Like the normal-helium SSPs, the integrated spectro-photometric evolution of helium-enhanced SSPs is also dependent on metallicity and age for a given Y {sub ini}. We discuss the implications and prospects for the helium-enhanced populations in relation to the second-generation populations found in the Milky Way GCs. All of the models are available at http://web.yonsei.ac.kr/cosmic/data/YEPS.htm.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

The Morphology and Structure of Stellar Populations in the Fornax Dwarf Spheroidal Galaxy from Dark Energy Survey Data

Using deep wide-field photometry 3 yr data (Y3) from the Dark Energy Survey (DES), we introduce a panoramic study of the Fornax dwarf spheroidal galaxy. The data discussed here—a small subset of the full survey—uniformly cover a region of 25 deg 2 centered on the galaxy to a depth of g ~ 23.5. We use these data to study the structural properties of Fornax, overall stellar population, and its member stars in different evolutionary phases. We also search for possible signs of tidal disturbance. Fornax is found to be significantly more spatially extended than what early studies suggested. No statistically significant distortions or signs of tidal disturbances were found down to a surface brightness limit of ~32.1 mag arcsec -2 . Yet, there are hints of shell-like features located ~20'–40' from the center of Fornax that may be stellar debris from past merger events. We also find that intermediate-age and young main-sequence populations show different orientation at the galaxy center and have many substructures. The deep DES Y3 data allow us to characterize the age of those young stellar substructures with great accuracy, both those previously known and those newly identified as possible overdensities in this work, on the basis of their color–magnitude diagram morphology. We find that the youngest overdensities are all found on the eastern side of Fornax, where the Fornax field population itself is slightly younger than in the west. In summary, the high-quality DES Y3 data reveal that Fornax has many rich structures and provide insights into its complex formation history.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Supersonically expanded sodium metal-dilute halogen gas interactions. The importance of reaction populated and energy storing reservoir states and population inversion created amplification in Na2

The reactions of Cl, Br, and I with Nan=2,3 produced in a supersonic expansion form Na2* and Na* excited states extending across the visible and ultraviolet regions. Emission in the region extending from 410 to 600 nm indicates selectively formed excited state Na2 emission features. Experimental evidence suggests that this emission is associated with Na3 + X reactions. Broadband (0.5 cm−1) laser measurements demonstrate gain (population inversion) for select features at∼524–528(1%), ∼492(0.3%), and ∼458.7–461(0.8%) nm. Single mode (0.007 cm−1) measurements extending from 528.03 to 527.63 nm demonstrate amplification involving five to six individual rovibronic levels with a maximum gain close to 3% recorded at 527.9 nm. The observed gain is associated with select transitions from levels of the Na2 11Πu state populated, via identified curve crossings, through collision induced transfer from long-lived Na2 21Σg+ and 11Πg reservoir states. Collision induced population buildup in the lowest vibrational levels of these reservoir states and collision induced transfer to the Na2 11Πu state create a population inversion in transitions to the X 1Σg+ state of Na2. The observed amplification is aided by rapid vibrational and rotational relaxation in both the Na2 ground and excited reservoir states producing amplifiers in the visible region like the HF amplifier in the infrared. This study suggests the importance of reaction populated and energy storing long-lived reservoir states in small sodium molecule combustion processes and indicates the potential for providing new short wavelength visible and ultraviolet amplifiers for future laser-based chemical propulsion concepts.

Chemistry↗
DOE OSTI2016

Modeling Sustainability: Population, Inequality, Consumption, and Bidirectional Coupling of the Earth and Human Systems

Over the last two centuries, the impact of the Human System has grown dramatically, becoming strongly dominant within the Earth System in many different ways. Consumption, inequality, and population have increased extremely fast, especially since about 1950, threatening to overwhelm the many critical functions and ecosystems of the Earth System. Changes in the Earth System, in turn, have important feedback effects on the Human System, with costly and potentially serious consequences. However, current models do not incorporate these critical feedbacks. Here, we argue that in order to understand the dynamics of either system, Earth System Models must be coupled with Human System Models through bidirectional couplings representing the positive, negative, and delayed feedbacks that exist in the real systems. In particular, key Human System variables, such as demographics, inequality, economic growth, and migration, are not coupled with the Earth System but are instead driven by exogenous estimates, such as United Nations population projections.This makes current models likely to miss important feedbacks in the real Earth–Human system, especially those that may result in unexpected or counterintuitive outcomes, and thus requiring different policy interventions from current models. Lastly, the importance and imminence of sustainability challenges, the dominant role of the Human System in the Earth System, and the essential roles the Earth System plays for the Human System, all call for collaboration of natural scientists, social scientists, and engineers in multidisciplinary research and modeling to develop coupled Earth–Human system models for devising effective science-based policies and measures to benefit current and future generations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Microcoleus (Cyanobacteria) form watershed-wide populations without strong gradients in population structure

The relative importance of separation by distance and by environment to population genetic diversity can be conveniently tested in river networks, where these two drivers are often independently distributed over space. To evaluate the importance of dispersal and environmental conditions in shaping microbial population structures, we performed genome-resolved metagenomic analyses of benthic Microcoleus -dominated cyanobacterial mats collected in the Eel and Russian River networks (California, USA). The 64 Microcoleus genomes were clustered into three species that shared >96.5% average nucleotide identity (ANI). Most mats were dominated by one strain, but minor alleles within mats were often shared, even over large spatial distances (>300 km). Within the most common Microcoleus species, the ANI between the dominant strains within mats decreased with increasing spatial separation. However, over shorter spatial distances (tens of kilometres), mats from different subwatersheds had lower ANI than mats from the same subwatershed, suggesting that at shorter spatial distances environmental differences between subwatersheds in factors like canopy cover, conductivity, and mean annual temperature decreases ANI. Since mats in smaller creeks had similar levels of nucleotide diversity (π) as mats in larger downstream subwatersheds, within-mat genetic diversity does not appear to depend on the downstream accumulation of upstream-derived strains. The four-gamete test and sequence length bias suggest recombination occurs between almost all strains within each species, even between populations separated by large distances or living in different habitats. Overall, our results show that, despite some isolation by distance and environmental conditions, sufficient gene-flow occurs among cyanobacterial strains to prevent either driver from producing distinctive population structures across the watershed.

59 BASIC BIOLOGICAL SCIENCES↗