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At least 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Global ocean dimethyl sulfide climatology estimated from observations and an artificial neural network

Marine dimethyl sulfide (DMS) is important to climate due to the ability of DMS to alter Earth's radiation budget. Knowledge of the global-scale distribution, seasonal variability, and sea-to-air flux of DMS is needed in order to improve understanding of atmospheric sulfur, aerosol/cloud dynamics, and albedo. Here we examine the use of an artificial neural network (ANN) to extrapolate available DMS measurements to the global ocean and produce a global climatology with monthly temporal resolution. A global database of 82 996 ship-based DMS measurements in surface waters was used along with a suite of environmental parameters consisting of latitude–longitude coordinates, time of day, time of year, solar radiation, mixed layer depth, sea surface temperature, salinity, nitrate, phosphate, and silicate. Linear regressions of DMS against the environmental parameters show that on a global-scale mixed layer depth and solar radiation are the strongest predictors of DMS. These parameters capture ~9 % and ~7 % of the raw DMS data variance, respectively. Multilinear regression can capture more of the raw data variance (~39 %) but strongly underestimates DMS in high-concentration regions. In contrast, the artificial neural network captures ~66 % of the raw data variance in our database. Like prior climatologies our results show a strong seasonal cycle in surface ocean DMS with the highest concentrations and sea-to-air fluxes in the high-latitude summertime oceans. We estimate a lower global sea-to-air DMS flux (20.12±0.43 Tg S yr –1 ) than the prior estimate based on a map interpolation method when the same gas transfer velocity parameterization is used. Our sensitivity test results show that DMS concentration does not change unidirectionally with each of the environmental parameters, which emphasizes the interactions among these parameters. The ANN model suggests that the flux of DMS from the ocean to the atmosphere will increase with global warming. Given that larger DMS fluxes induce greater cloud albedo, this corresponds to a negative climate feedback.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1992

A shear sensitive monomer-polymer liquid crystal system for wind tunnel applications

Characteristics of a liquid crystal system, comprised of a shear-sensitive cholesteric-monomer liquid crystal thin-film coated on a liquid-crystal polymer substrate, are described. The system provides stable Grandjean texture, a desirable feature for shear-stress measurements using selective reflection from the monomer liquid-crystal helix structure. Impingement of gas or air flow on the monomer liquid-crystal free surface changes the wavelength of the selective reflection for an incident white light from red toward blue with increase in the rate of gas flow. The contrast of the selectively reflected light improves considerably by providing a thin black coating of about 5 microns at the monomer-polymer interface. The coating thickness is such that the steric interactions are still sufficiently strong to maintain Grandjean texture. For a small angle of incidence of a monochromatic light, the measurement of the reflected light intensity normal to the monomer-polymer liquid-crystal interface enables the determination of the wavelength for selective reflection as a function of the gas-flow differential pressure applied in the plane of the interface. The variation of the wavelength with the pressure is linear with a slope of about 2 nm/mmHg. Furthermore, the shear-stress effects are reversible unlike for monomer liquid crystal-metal systems used for flow visualization on wind-tunnel model surfaces. The present system offers a suitable method for direct on-line measurement of shear stress field from measurements of the wavelength for selective reflection for an incident white light.

Parmar, D. S.↗
DOE OSTI2017

Flux in a 1D-Reactor Cell by Response Matrix

Legacy computational reactor physics software tools and protocols currently used in support of the Advanced Test Reactor (ATR) core fuel management and safety assurance, and to some extent, experiment management, are inconsistent with the state of modern nuclear engineering practice. Thus, they are difficult, if not impossible, to verify and validate (V and V) according to modern standards. Furthermore, the legacy staff knowledge required for effective application of their application and protocols from the 1960's and 1970's is rapidly being lost due to staff turnover and retirements. In late 2009, the Idaho National Laboratory (INL) initiated a focused effort, the ATR Core Modeling Update Project, to address this situation through the introduction of modern high-fidelity transport theory based computational software and models to replace the legacy methods, with appropriate (V and V) protocols according to applicable national standards. The new computational tools include: - The 2-dimensional HELIOS deterministic transport code for integrated ATR core fuel and experiment management and Core Safety Analysis Package (CSAP) physics data generation. The MCNP5 3-dimensional stochastic simulation (Monte Carlo) code for verification and validation applications and for specialized ATR core analysis along with its longstanding traditional role in experiment support - The 2-dimensional deterministic NEWT transport code and the 3-dimensional KENO6 stochastic simulation code, with their SCALE-based support infrastructure for use in V and V applications and as supporting modules for sensitivity-uncertainty analysis via the TSUNAMI system. The ATTILA 3-dimensional discrete-ordinates transport code for specialized experiment support and possibly additional applications. Regardless of application, every neutron transport code, new or legacy, requires verification. The aim of this presentation is to provide a neutron transport benchmark for a simple 1D-reactor cell in plane geometry. The benchmark finds use as a standard of comparison for the codes listed above intended for the ATR upgrade. The method developed here is in contrast to the finite Fourier transform solution found in Ref. 1, which is limited to isotropic scattering and particularly difficult to numerically implement unless the total cross section is constant over the cell.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Drivers of Dry Day Sensitivity to Increased CO 2

Persistent precipitation deficits are among the most impactful consequences of global warming. Here we focus on changes in the annual number of dry days (NDD) and in the annual maximum length of dry spells due to a quadrupling of atmospheric CO 2 . We use atmosphere-only simulations to decompose the projected changes into additive contributions. A fast adjustment leads to a global increase in NDD despite notable regional exceptions (e.g., South Asia and Sahel). The effect of the uniform component of the surface ocean warming is model-dependent but shapes the regional distribution of the NDD response in each model. Finally, the ocean warming pattern also contributes to large uncertainties, likely through contrasting changes in large-scale circulation. Our results thus highlight the complexity of the NDD response, with policy-relevant practical implications for mitigation and adaptation strategies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

MS2Planner: improved fragmentation spectra coverage in untargeted mass spectrometry by iterative optimized data acquisition

Motivation: Untargeted mass spectrometry experiments enable the profiling of metabolites in complex biological samples. The collected fragmentation spectra are the metabolite’s fingerprints that are used for molecule identification and discovery. Two main mass spectrometry strategies exist for the collection of fragmentation spectra: data-dependent acquisition (DDA) and data-independent acquisition (DIA). In the DIA strategy, all the metabolites ions in predefined mass-to-charge ratio ranges are co-isolated and co-fragmented, resulting in multiplexed fragmentation spectra that are challenging to annotate. In contrast, in the DDA strategy, fragmentation spectra are dynamically and specifically collected for the most abundant ions observed, causing redundancy and sub-optimal fragmentation spectra collection. Yet, DDA results in less multiplexed fragmentation spectra that can be readily annotated. Results: We introduce the MS2Planner workflow, an Iterative Optimized Data Acquisition strategy that optimizes the number of high-quality fragmentation spectra over multiple experimental acquisitions using topological sorting. Our results showed that MS2Planner increases the annotation rate by 38.6% and is 62.5% more sensitive and 9.4% more specific compared to DDA. Availability and implementation MS2Planner code is available at https://github.com/mohimanilab/MS2Planner. The generation of the inclusion list from MS2Planner was performed with python scripts available at https://github.com/lfnothias/IODA_MS.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Community response of soil microorganisms to combined contamination of polycyclic aromatic hydrocarbons and potentially toxic elements in a typical coking plant

Both polycyclic aromatic hydrocarbons (PAHs) and potentially toxic elements (PTEs) of coking industries impose negative effects on the stability of soil ecosystem. Soil microbes are regarded as an essential moderator of biochemical processes and soil remediation, while their responses to PAHs-PTEs combined contamination are largely unknown. In the present study, soil microbial diversity and community composition in the typical coking plant under the chronic co-exposure of PAHs and PTEs were investigated and microbial interaction networks were built to reveal microbial co-occurrence patterns. The results indicated that the concentrations of PAHs in the soil inside the coking plant were significantly higher than those outside the plant. The mean concentration of ∑16PAHs was 2894.4 ng·g −1 , which is 5.58 times higher than that outside the plant. The average Hg concentration inside the coking plant was 22 times higher than the background value of Hebei province. The soil fungal community inside the coking plant showed lower richness compared with that of outside community, and there are significant difference in the bacterial and fungal community composition between inside and outside of coking plant ( p < 0.01). Predicted contribution of different environmental factors to each dominant species based on random forest identified 20 and 25 biomarkers in bacteria and fungi, respectively, that were highly sensitive to coking plant soil in operation, such as Betaproteobacteria，Sordariomycetes and Dothideomycetes . Bacterial and fungal communities were shaped by the soil chemical properties (pH), PTEs (Hg), and PAHs together in the coking plant soils. Furthermore, the bacterial and fungal interaction patterns were investigated separately or jointly by intradomain and interdomain networks. Competition is the main strategy based on the co-exclusion pattern in fungal community, and the competitive relationship inside the coking plant is more complex than that outside the plant. In contrast, cooperation is the dominant strategy in bacterial networks based on the co-occurrence pattern. The present study provided insights into microbial response strategies and the interactions between bacteria and fungi under long-term combined contamination.

Shen, Qihui↗
DOE OSTI2021

Representing methane emissions from wet tropical forest soils using microbial functional groups constrained by soil diffusivity

Tropical ecosystems contribute significantly to global emissions of methane (CH 4 ), and landscape topography influences the rate of CH 4 emissions from wet tropical forest soils. However, extreme events such as drought can alter normal topographic patterns of emissions. Here we explain the dynamics of CH 4 emissions during normal and drought conditions across a catena in the Luquillo Experimental Forest, Puerto Rico. Valley soils served as the major source of CH 4 emissions in a normal precipitation year (2016), but drought recovery in 2015 resulted in dramatic pulses in CH 4 emissions from all topographic positions. Geochemical parameters including (i) dissolved organic carbon (C), acetate, and soil pH and (ii) hydrological parameters like soil moisture and oxygen (O 2 ) concentrations varied across the catena. During the drought, soil moisture decreased in the slope and ridge, and O 2 concentrations increased in the valley. We simulated the dynamics of CH 4 emissions with the Microbial Model for Methane Dynamics-Dual Arrhenius and Michaelis–Menten (M3D-DAMM), which couples a microbial functional group CH 4 model with a diffusivity module for solute and gas transport within soil microsites. Contrasting patterns of soil moisture, O 2 , acetate, and associated changes in soil pH with topography regulated simulated CH 4 emissions, but emissions were also altered by rate-limited diffusion in soil microsites. Changes in simulated available substrate for CH 4 production (acetate, CO 2 , and H 2 ) and oxidation (O 2 and CH 4 ) increased the predicted biomass of methanotrophs during the drought event and methanogens during drought recovery, which in turn affected net emissions of CH 4 . A variance-based sensitivity analysis suggested that parameters related to aceticlastic methanogenesis and methanotrophy were most critical to simulate net CH 4 emissions. This study enhanced the predictive capability for CH 4 emissions associated with complex topography and drought in wet tropical forest soils.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1994

A visual detection model for DCT coefficient quantization

The discrete cosine transform (DCT) is widely used in image compression and is part of the JPEG and MPEG compression standards. The degree of compression and the amount of distortion in the decompressed image are controlled by the quantization of the transform coefficients. The standards do not specify how the DCT coefficients should be quantized. One approach is to set the quantization level for each coefficient so that the quantization error is near the threshold of visibility. Results from previous work are combined to form the current best detection model for DCT coefficient quantization noise. This model predicts sensitivity as a function of display parameters, enabling quantization matrices to be designed for display situations varying in luminance, veiling light, and spatial frequency related conditions (pixel size, viewing distance, and aspect ratio). It also allows arbitrary color space directions for the representation of color. A model-based method of optimizing the quantization matrix for an individual image was developed. The model described above provides visual thresholds for each DCT frequency. These thresholds are adjusted within each block for visual light adaptation and contrast masking. For given quantization matrix, the DCT quantization errors are scaled by the adjusted thresholds to yield perceptual errors. These errors are pooled nonlinearly over the image to yield total perceptual error. With this model one may estimate the quantization matrix for a particular image that yields minimum bit rate for a given total perceptual error, or minimum perceptual error for a given bit rate. Custom matrices for a number of images show clear improvement over image-independent matrices. Custom matrices are compatible with the JPEG standard, which requires transmission of the quantization matrix.

Ahumada, Albert J., Jr.↗
NASA NTRS1993

A ROSAT observation of delta Orionis A

Delta Orionis A was observed with ROSAT in February 1991 at ten different phases of the 5.7 day binary orbit. The soft X-ray emission shows little dependence on binary phase favoring models for the production of the soft X-rays in the outer parts of the stellar wind. The energy spectrum obtained with the Position Sensitive Proportional Counter (PSPC) shows two thermal components with temperatures of 0.1 and 0.2 keV. The temperature and absorption of the hotter component is consistent with the Einstein solid state spectrometers (SSS) spectrum obtained in 1979. The two temperatures suggest either two emission regions with different temperatures, or one emission region with a temperature distribution where the hotter parts are closer to the OB stars than the cooler parts as indicated by the higher absorption of the hotter spectral component. This would be in contrast to stellar wind shock models which predict shock temperatures increasing with distance to the star.

Haberl, F.↗
DOE OSTI2020

Microstructure reconstruction of battery polymer separators by fusing 2D and 3D image data for transport property analysis

A new approach to generate high-fidelity 3D microstructure reconstructions by leveraging resolution and sample volume characteristics from 2D and 3D microscopy methods is presented here. This approach is employed to model the microstructure of a highly orthotropic polypropylene separator used in lithium-ion batteries, which have challenging multi-scale features of fibrils (<100 nm) and lamellae (>100 nm) to resolve in 3D. Phase contrast nano X-ray computed tomographic data are used to reconstruct the lamellae phase, while 2D scanning electron microscopy data are used to characterize sub-100 nm microstructure features such as the thin fibrils that are beyond the effective resolution of X-ray computed tomography. Fibril geometries are reconstructed stochastically based on the 2D higher resolution data, and integrated with the lamellae geometries in 3D space. Transport property analyses are performed to investigate the bias of microstructure models without considering the fibrils. A sensitivity study is also conducted to facilitate understanding of the relationship between microstructure characteristics and transport properties.

25 ENERGY STORAGE↗
DOE OSTI2016

Adaptive mesh refinement versus subgrid friction interpolation in simulations of Antarctic ice dynamics

At least in conventional hydrostatic ice-sheet models, the numerical error associated with grounding line dynamics can be reduced by modifications to the discretization scheme. These involve altering the integration formulae for the basal traction and/or driving stress close to the grounding line and exhibit lower – if still first-order – error in the MISMIP3d experiments. MISMIP3d may not represent the variety of real ice streams, in that it lacks strong lateral stresses, and imposes a large basal traction at the grounding line. We study resolution sensitivity in the context of extreme forcing simulations of the entire Antarctic ice sheet, using the BISICLES adaptive mesh ice-sheet model with two schemes: the original treatment, and a scheme, which modifies the discretization of the basal traction. The second scheme does indeed improve accuracy – by around a factor of two – for a given mesh spacing, but $\lesssim 1$ km resolution is still necessary. For example, in coarser resolution simulations Thwaites Glacier retreats so slowly that other ice streams divert its trunk. In contrast, with $\lesssim 1$ km meshes, the same glacier retreats far more quickly and triggers the final phase of West Antarctic collapse a century before any such diversion can take place.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Strain effects on oxygen vacancy energetics in KTaO 3

Due to lattice mismatch between epitaxial films and substrates, in-plane strain fields are produced in the thin films, with accompanying structural distortions, and ion implantation can be used to controllably engineer the strain throughout the film. Because of the strain profile, local defect energetics are changed. In this study, the effects of in-plane strain fields on the formation and migration of oxygen vacancies in KTaO 3 are investigated using first-principles calculations. In particular, the doubly positive charged oxygen vacancy (V 2+ O) is studied, which is considered to be the main charge state of the oxygen vacancy in KTaO 3 . We find that the formation energies for oxygen vacancies are sensitive to in-plane strain and oxygen position. The local atomic configuration is identified, and strong relaxation of local defect structure is mainly responsible for the formation characteristics of these oxygen vacancies. Based on the computational results, formation-dependent site preferences for oxygen vacancies are expected to occur under epitaxial strain, which can result in orders of magnitude differences in equilibrium vacancy concentrations on different oxygen sites. In addition, all possible migration pathways, including intra- and inter-plane diffusions, are considered. In contrast to the strain-enhanced intra-plane diffusion, the diffusion in the direction normal to the strained plane is impeded under the epitaxial strain field. Lastly, these anisotropic diffusion processes can further enhance site preferences.

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

The advanced evolution of massive stars

The nuclear rates for reactions involving 12 C and 16 O are key to computing the energy release and nucleosynthesis evolution of massive stars during their advanced burning phases. Ultimately, these burning rates shape the stellar structure and evolution and influence the nature of the compact objects produced at the end of the stellar life. We explore the implications of new nuclear reaction rates from both experimental and theoretical studies for 12 C(α, γ) 16 ​O, 12 C+ 12​ C, 12 C+ 16 ​O, and 16 O+ 16 ​O reactions for massive stars. Our goal is to investigate how the chemical structure and nucleosynthesis evolve from the He-exhaustion stage to the O-burning phase and how these processes influence the ultimate stellar fate. We computed rotating and non-rotating models for stars of different masses at solar metallicity. We used the stellar evolution code GENEC, which includes a large network of nuclear reactions and isotopes involved in advanced phases, as well as updated rates for 12 C(α,γ) 16 O. For the three fusion reactions involving 12 C and 16 O, we considered new rates following a data-driven fusion suppression scenario (hereafter HIN(RES)) and new theoretical rates obtained with time-dependent Hartree-Fock (TDHF) calculations. The updated 12 C(α, γ) 16 ​O rates mainly impact the chemical structure evolution changing the 12 C/ 16 O ratio at He-exhaustion and have little effect on the CO core mass. This variation in the 12 C/ 16 O ratio is in some cases critical for predicting the final fate of the model, which is very sensitive to 12 C abundance, and in particular the 20 M ⊙ remnant may change from a black hole to a neutron star. The He-burning (C-burning) lifetime is also decreased (increased) by about −2% (+15%). The combined new rates for 12 C+ 12 ​C and 16 O+ 16 ​O fusion reactions according to the HIN(RES) model lead to shorter C- and O-burning lifetimes by ≈ − 10%, and −50%, respectively, and shift the ignition conditions to higher temperatures and densities. In contrast, the theoretical TDHF rates primarily affect C-burning, increasing its duration by about 30% and lowering the ignition temperature. These changes modify the chemical structure of the core, the size and duration of C-burning shells, and hence their compactness. They also impact the central and shell nucleosynthesis (by ±1 dex and by factors of ±2–10, respectively), while 12 C+ 16 ​O reaction rates variations remain the least important.

abundances↗
DOE OSTI2021

Two-dimensional electronic–vibrational spectroscopy: Exploring the interplay of electrons and nuclei in excited state molecular dynamics

Two-dimensional electronic-vibrational spectroscopy (2DEVS) is an emerging spectroscopic technique which exploits two different frequency ranges for the excitation (visible) and detection (infrared) axes of a 2D spectrum. In contrast to degenerate 2D techniques, such as 2D electronic or 2D infrared spectroscopy, the spectral features of a 2DEV spectrum report cross correlations between fluctuating electronic and vibrational energy gaps rather than autocorrelations as in the degenerate spectroscopies. The center line slope of the spectral features reports on this cross correlation function directly and can reveal specific electronic-vibrational couplings and rapid changes in the electronic structure, for example. The involvement of the two types of transition moments, visible and infrared, makes 2DEVS very sensitive to electronic and vibronic mixing. 2DEV spectra also feature improved spectral resolution, making the method valuable for unraveling the highly congested spectra of molecular complexes. The unique features of 2DEVS are illustrated in this paper with specific examples and their origin described at an intuitive level with references to formal derivations provided. Although early in its development and far from fully explored, 2DEVS has already proven to be a valuable addition to the tool box of ultrafast nonlinear optical spectroscopy and is of promising potential in future efforts to explore the intricate connection between electronic and vibrational nuclear degrees of freedom in energy and charge transport applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Laser speckle contrast imaging of blood microcirculation in pancreatic tissues during laparoscopic interventions

Laser speckle contrast imaging of the microcirculatory bed of the pancreas is performed, which allows its condition to be assessed and thereby is an additional valuable tool for making a diagnostic decision and dynamically monitoring the effectiveness of the treatment for pathology of the abdominal organs. Laparoscopic operations on the pancreas are low-traumatic and in most cases avoid open surgical interventions. For the first time an experimental system for recording speckle images, combined with a commercially available five-millimetre rigid laparoscope, is presented. The sensitivity of the system to the fluid motion in a capillary at different velocities is determined, and the possibility of finding areas of blood microcirculation disturbance in modelling pancreatic ischemia in an experiment on laboratory animals is revealed. The laparoscope illumination channel is verified by comparison with speckle dynamics under external illumination of the studied object. (paper)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

A combined Phase Contrast Imaging and heterodyne interferometer for multiscale fluctuation measurements in tokamak plasmas

An upgrade to the Phase Contrast Imaging (PCI) diagnostic on the DIII-D tokamak has successfully combined PCI with density interferometry to provide electron density fluctuation measurements across an unprecedented range in wavenumber. The combined diagnostic uses a single laser and a single beam path through the tokamak, minimizing machine resources in anticipation of future reactor-scale devices where port access will be at a premium. The PCI multichannel detector provides low-noise, wavenumber-resolved detection of moderate-wavenumber turbulence, while the interferometer channel is sensitive to long-wavelength turbulence, including the peak of ion-scale turbulence and MHD. The overlap in wavenumber range between the two schemes allows for an in situ absolute calibration of the PCI.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

WE-E-17A-01: Characterization of An Imaging-Based Model of Tumor Angiogenesis

Purpose: Understanding the transient dynamics of tumor oxygenation is important when evaluating tumor-vasculature response to anti-angiogenic therapies. An imaging-based tumor-vasculature model was used to elucidate factors that affect these dynamics. Methods: Tumor growth depends on its doubling time (Td). Hypoxia increases pro-angiogenic factor (VEGF) concentration which is modeled to reduce vessel perfusion, attributing to its effect of increasing vascular permeability. Perfused vessel recruitment depends on the existing perfused vasculature, VEGF concentration and maximum VEGF concentration (VEGFmax) for vessel dysfunction. A convolution-based algorithm couples the tumor to the normal tissue vessel density (VD-nt). The parameters are benchmarked to published pre-clinical data and a sensitivity study evaluating the changes in the peak and time to peak tumor oxygenation characterizes them. The model is used to simulate changes in hypoxia and proliferation PET imaging data obtained using [Cu- 61]Cu-ATSM and [F-18]FLT respectively. Results: Td and VD-nt were found to be the most influential on peak tumor pO2 while VEGFmax was marginally influential. A +20 % change in Td, VD-nt and VEGFmax resulted in +50%, +25% and +5% increase in peak pO2. In contrast, Td was the most influential on the time to peak oxygenation with VD-nt and VEGFmax playing marginal roles. A +20% change in Td, VD-nt and VEGFmax increased the time to peak pO2 by +50%, +5% and +0%. A −20% change in the above parameters resulted in comparable decreases in the peak and time to peak pO2. Model application to the PET data was able to demonstrate the voxel-specific changes in hypoxia of the imaged tumor. Conclusion: Tumor-specific doubling time and vessel density are important parameters to be considered when evaluating hypoxia transients. While the current model simulates the oxygen dynamics of an untreated tumor, incorporation of therapeutic effects can make the model a potent tool for analyzing anti-angiogenic therapies.

60 APPLIED LIFE SCIENCES↗