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At least 217 records · Page 12

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NASA NTRS2021

Large-Eddy Simulations of Marine Boundary-Layer Clouds Associated With Cold Air Outbreaks During the Activate Campaign – Part 1: Case Setup and Sensitivities to Large-Scale Forcings

Large-eddy simulation (LES) is able to capture key boundary-layer (BL) turbulence and cloud processes. Yet, large-scale forcing and surface turbulent fluxes of sensible and latent heat are often poorly prescribed for LES simulations. We derive these quantities from measurements and reanalysis obtained for two cold air outbreak (CAO) events during Phase I of the Aerosol Cloud meTeorology Interactions oVer the western ATlantic Experiment (ACTIVATE) in February-March 2020. We study the two contrasting CAO cases by performing LES and test the sensitivity of BL structure and clouds to large-scale forcings and turbulent heat fluxes. Profiles of atmospheric state and large-scale divergence and surface turbulent heat fluxes obtained from the reanalysis data ERA5 agree reasonablywell with those derived fromACTIVATE field measurements for both cases at the sampling time and location. Therefore, we adopt the time evolving heat fluxes, wind and advective tendencies profiles from ERA5 reanalysis data to drive the LES.We find that large-scale thermodynamic advective tendencies and wind relaxations are important for the LES to capture the evolving observed BL meteorological states characterized by the hourly ERA5 reanalysis data and validated by the observations. We show that the divergence (or vertical velocity) is important in regulating the BL growth driven by surface heat fluxes in LES simulations. The evolution of liquid water path is largely affected by the evolution of surface heat fluxes. The liquid water path imulated in LES agrees reasonably well with the ACTIVATE measurements. This study paves the path to investigate aerosol-cloud-meteorology interactions using LES informed and evaluated by ACTIVATE field measurements.

Large-eddy simulation↗

DOE OSTI2021

High-Resolution Scanning Coded-Mask-Based X-ray Multi-Contrast Imaging and Tomography

Near-field X-ray speckle tracking has been used in phase-contrast imaging and tomography as an emerging technique, providing higher contrast images than traditional absorption radiography. Most reported methods use sandpaper or membrane filters as speckle generators and digital image cross-correlation for phase reconstruction, which has either limited resolution or requires a large number of position scanning steps. Recently, we have proposed a novel coded-mask-based multi-contrast imaging (CMMI) technique for single-shot measurement with superior performance in efficiency and resolution compared with other single-shot methods. We present here a scanning CMMI method for the ultimate imaging resolution and phase sensitivity by using a coded mask as a high-contrast speckle generator, the flexible scanning mode, the adaption of advanced maximum-likelihood optimization to scanning data, and the multi-resolution analysis. Scanning CMMI can outperform other speckle-based imaging methods, such as X-ray speckle vector tracking, providing higher quality absorption, phase, and dark-field images with fewer scanning steps. Scanning CMMI is also successfully demonstrated in multi-contrast tomography, showing great potentials in high-resolution full-field imaging applications, such as in vivo biomedical imaging.

Qiao, Zhi (ORCID:0000000233928732)↗

NASA NTRS1984

Probability of error and radiometric resolution for target discrimination in radar images

A straightforward statistical analysis is presented of the problem of discriminating between two distributed targets in a radar image. The probability of making an error is calculated as a function of the target contrast, the number of samples averaged to form each observation, and the system noise. In the absence of system noise, it is observed that a target contrast of 1 dB could not be detected with less than 10 samples averaged; it is also seen that the error probability is sensitive to the number of samples averaged, as expected. Setting the target contrast at the radiometric resolution, a comparison is made of different definitions for this resolution. The comparison shows that each definition yields a different error probability, ranging from less than 0.05 to 0.35. Attention is also given to the effect of system noise, and it is shown that thermal noise does not have a significant effect on the error probability for a fixed target contrast.

Frost, V. S.↗

NASA NTRS2011

Experiments in Reconstructing Twentieth-Century Sea Levels

One approach to reconstructing historical sea level from the relatively sparse tide-gauge network is to employ Empirical Orthogonal Functions (EOFs) as interpolatory spatial basis functions. The EOFs are determined from independent global data, generally sea-surface heights from either satellite altimetry or a numerical ocean model. The problem is revisited here for sea level since 1900. A new approach to handling the tide-gauge datum problem by direct solution offers possible advantages over the method of integrating sea-level differences, with the potential of eventually adjusting datums into the global terrestrial reference frame. The resulting time series of global mean sea levels appears fairly insensitive to the adopted set of EOFs. In contrast, charts of regional sea level anomalies and trends are very sensitive to the adopted set of EOFs, especially for the sparser network of gauges in the early 20th century. The reconstructions appear especially suspect before 1950 in the tropical Pacific. While this limits some applications of the sea-level reconstructions, the sensitivity does appear adequately captured by formal uncertainties. All our solutions show regional trends over the past five decades to be fairly uniform throughout the global ocean, in contrast to trends observed over the shorter altimeter era. Consistent with several previous estimates, the global sea-level rise since 1900 is 1.70 +/- 0.26 mm/yr. The global trend since 1995 exceeds 3 mm/yr which is consistent with altimeter measurements, but this large trend was possibly also reached between 1935 and 1950.

Ray, Richard D.↗

DOE OSTI2020

Advanced light source-Upgrade accumulator-ring gas bremsstrahlung production

Lawrence Berkeley National Laboratory is designing a new electron synchrotron for scientific research using synchrotron radiation. An upgrade of the Advanced Light Source (ALS) would position the nation to retain its international competitiveness in the soft X-ray sciences. The ALS is a 1.9 GeV storage ring operating at 500 mA of beam current. It is optimized to produce intense beams of soft X-rays, which offer spectroscopic contrast, nanometer-scale resolution, and broad temporal sensitivity. Upgrading the ALS storage ring from a triple-bend-achromat to a multibend-achromat (MBA) lattice design will provide a soft X-ray source that is up to 100–1,000 times brighter than today’s ALS and will provide a significantly higher fraction of coherent light in the soft X-ray region than is currently available at the ALS. Further, the upgraded ALS will offer the highest coherent flux of any existing or planned storage-ring facility, worldwide, up to a photon energy of 3.5 keV. The addition of an accumulator ring that enables on-axis, swap-out, recovery, and exchange of bunch trains is required to achieve this coherence and brightness. Analysis of the radiation generated and shielding required by the addition of this new accelerator is presented in this paper.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Photoacoustic 3-D imaging of polycrystalline microstructure improved with transverse acoustic waves

Non-invasive fast imaging of grain microstructure of polycrystalline ceria with sub-micrometric spatial resolution is performed via time-domain Brillouin scattering. The propagation of a nanoacoustic pulse is monitored down to 8 µm deep in a 30 × 30 µm2 area. Grains boundaries are reconstructed in three-dimensions via a twostep processing method, relying on the wavelet synchro-squeezed transform and the alpha shape algorithm. Imaging contrast is improved by taking advantage of stronger sensitivity to anisotropy of transverse acoustic waves, compared with longitudinal waves. Utilization of transverse waves in the image processing reveals additional boundaries that are not discerned using longitudinal waves, confirmed by an electron backscattering diffraction pattern. A buried inclined interface between differently oriented grains is identified by monitoring changes in amplitude (phase) of the portion of the signal associated with transverse (longitudinal) waves. Estimates of the inclination angle of this interface prove the sensitivity of our laser ultrasonic method to image inclined boundaries.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Microbial and Environmental Processes Shape the Link between Organic Matter Functional Traits and Composition

Dissolved organic matter (DOM) is a large and complex mixture of molecules that fuels biogeochemical reaction in virtually all ecosystems on Earth. However, the relative importance of deterministic and stochastic processes in structuring DOM composition remains poorly characterized. Here we develop a framework for partitioning molecular composition based on key molecular traits, including lability vs. recalcitrance and activity vs. inactivity. Within this framework, we examine the ecological processes governing the assembly of DOM fractions by deploying aquatic microcosms on mountainsides that span gradients of temperature and nutrient loading in subtropical and subarctic ecosystems. Across study regions, deterministic and stochastic processes primarily structure active and inactive fractions, respectively. However, recalcitrant molecules are more deterministically assembled than labile molecules in the inactive fraction. Deterministic processes leading to variable selection generally exhibit more variation across the energy supply gradient for inactive fractions, and their importance increases with energy supply for recalcitrant molecules in both active and inactive fractions. Together, our results indicate that active and inactive fractions of DOM assemblages are structured by contrasting ecological processes, and their recalcitrant components are sensitive to global change. In conclusion, our framework opens new avenues to understand the assembly and turnover of DOM in a changing world, which can be used to predict carbon cycling at local to global scales.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Pd(II) and Rh(I) Catalytic Precursors for Arene Alkenylation: Comparative Evaluation of Reactivity and Mechanism Based on Experimental and Computational Studies

We combine experimental and computational investigations to compare and understand catalytic arene alkenylation using the Pd(II) and Rh(I) precursors Pd(OAc) 2 and [(η 2 -C 2 H 4 ) 2 Rh(µ-OAc)] 2 with arene, olefin and Cu(II) carboxylate at elevated temperature (> 120 °C). Under specific conditions, previous computational and experimental efforts have identified heterotrimetallic cyclic PdCu 2 (η 2 -C 2 H 4 ) 3 (μ-OPiv) 6 and [(η 2 -C 2 H 4 ) 2 Rh(µ-OPiv) 2 ] 2 (µ-Cu) (OPiv = pivalate) species as likely active catalysts for these processes. Further studies of catalyst speciation suggest a complicated equilibrium between Cu(II)-containing complexes containing one Rh or Pd atom with complexes containing two Rh or Pd atoms. At 120 °C, Rh catalysis produces styrene > 20-fold more rapidly than Pd. Also, at 120 °C, Rh is ~98% selective for styrene formation while Pd is ~82% selective. Furthermore, our studies indicate that Pd catalysis has a higher predilection toward olefin functionalization to form undesired vinyl ester, while Rh catalysis is more selective for arene/olefin coupling. However, at elevated temperatures, Pd converts vinyl ester and arene to vinyl arene, which is proposed to occur through low valent Pd(0) clusters that are formed in situ. Regardless of arene functionality, the regioselectivity for alkenylation of mono-substituted arenes with the Rh catalyst gives an approximate 2:1 meta:para ratio with minimal ortho C–H activation. In contrast, Pd selectivity is significantly influenced by arene electronics with electron-rich arenes giving an approximate 1:2:2 ortho:meta:para ratio while the electron deficient (α,α,α)-trifluorotoluene gives a 3:1 meta:para ratio with minimal ortho functionalization. Kinetic intermolecular arene ethenylation competition experiments find that Rh reacts most rapidly with benzene, and the rate of mono-substituted arene alkenylation does not correlate with arene electronics. In contrast, with Pd catalysis, electron-rich arenes react more rapidly than benzene while electron-deficient arenes react less rapidly than benzene. These experimental findings, in combination with computational results, are consistent with the arene C–H activation step for Pd catalysis involving significant η 1 -arenium character due to Pd-mediated electrophilic aromatic substitution character. In contrast, the mechanism for Rh catalysis is not sensitive to arene substituent electronics, which we propose indicates less electrophilic aromatic substitution character for the Rh-mediated arene C–H activation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Biochemical approaches for synthesis of performance-advantaged polymers from lignocellulosic biomass

Lignocellulose is an abundant renewable feedstock for production of sustainable fuels, chemicals, and materials. The structural complexity of lignocellulose provides key material properties and inspires the design of advanced materials. However, this same complexity also presents challenges for conversion of lignocellulosic biomass into new materials with consistent properties. Conventional physical and chemical strategies for valorization of biomass to new materials are often limited by the technical challenges of precisely manipulating complex feedstocks, sensitivity to feedstock variability, and associated costs. In contrast, biological approaches are capable of selectively manipulating complex architectures under mild conditions. Recent advances demonstrate the potential of biological and hybrid biochemical methods to tailor biomass-derived polymers and generate new materials. This review provides an overview of biological strategies to valorize lignocellulosic biomass into novel materials, highlighting approaches for in planta engineering, biochemical modification of natural biomass polymers, microbial funneling of deconstructed biomass, and direct biosynthesis of novel polymers. In combination, these approaches open new avenues for the synthesis of performance-advantaged materials from lignocellulosic biomass.

Qian, Liangyu [ORNL] (ORCID:0009000212029938)↗

DOE OSTI2019

Attempts to develop an enzyme converting DHIV to KIV

Abstract Dihydroxy-acid dehydratase (DHAD) catalyzes the dehydration of R-2,3-dihydroxyisovalerate (DHIV) to 2-ketoisovalerate (KIV) using an Fe-S cluster as a cofactor, which is sensitive to oxidation and expensive to synthesize. In contrast, sugar acid dehydratases catalyze the same chemical reactions using a magnesium ion. Here, we attempted to substitute the high-cost DHAD with a cost-efficient engineered sugar acid dehydratase using computational protein design (CPD). First, we tried without success to modify the binding pocket of a sugar acid dehydratase to accommodate the smaller, more hydrophobic DHIV. Then, we used a chemically activated substrate analog to react with sugar acid dehydratases or other enolase superfamily enzymes. Mandelate racemase from Pseudomonas putida (PpManR) and the putative sugar acid dehydratase from Salmonella typhimurium (StPutD) showed beta-elimination activity towards chlorolactate (CLD). CPD combined with medium-throughput selection improved the PpManR kcat/KM for CLD by four-fold. However, these enzyme variants did not show dehydration activity towards DHIV. Lastly, assuming phosphorylation could also be a good activation mechanism, we found that mevalonate-3-kinase (M3K) from Picrophilus torridus (PtM3K) exhibited adenosine triphosphate (ATP) hydrolysis activity when mixed with DHIV, indicating phosphorylation activity towards DHIV. Engineering PpManR or StPutD to accept 3-phospho-DHIV as a substrate was performed, but no variants with the desired activity were obtained.

Oki, Kenji↗

DOE OSTI2021

Dislocation contrast on X-ray topographs under weak diffraction conditions

The contrast of dislocations in 4H-SiC crystals shows distinctive features on grazing-incidence X-ray topographs for diffraction at different positions on the operative rocking curve. Ray-tracing simulations have previously been successfully applied to describe the dislocation contrast at the peak of a rocking curve.The present work shows that the dislocation images observed under weak diffraction conditions can also be simulated using the ray-tracing method. Furthermore, these simulations indicate that the contrast of the dislocations is dominated by orientation contrast. Analysis of the effective misorientation reveals that the dislocation contrast in weak-beam topography is more sensitive to the local lattice distortion, consequently enabling information to be obtained on the dislocation sense which cannot be obtained from the peak.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Nitridation of atomically smooth (111) diamond surfaces using a low temperature Penning plasma discharge

Diamond is a material with a wide band gap that can host a variety of isolated paramagnetic defects, called “color centers”1. These color centers have attractive optical and magnetic properties suitable for quantum applications including quantum computing, nanophotonics and quantum sensing. The most common one is the negatively charged nitrogen vacancy (NV) color center. For quantum sensing, it is desirable to reduce the distance between the NV center and the analyte by using shallow color centers in order to increase sensitivity. In this context, the diamond surface termination is especially critical. The appropriate surface termination is required to stabilize the color centers and mitigate surface magnetic noise. The nitrogen termination of diamond has been postulated as highly desirable for the NV color center. The goal of this project is to take advantage of an electron beam-generated ExB low temperature plasma developed by the Princeton Collaborative Low Temperature Plasma Research Facility (PCRF) at the Princeton Plasma Physics Laboratory (PPPL) to nitridate the surface of (100) diamond single crystals with minimal surface damage. In this reactor, the use of a magnetized plasma enables gentle processing of materials sensitive to ion damage. This is in strong contrast to radiofrequency plasma processing reactors which are known to etch and sputter the surface. XPS measurements indicate the incorporation of nitrogen and oxygen atoms at the surface in similar amounts. XAS measurements confirm the nitridation and indicate that the nitrogen termination is different from the nitrogen termination obtained using radiofrequency plasma treatment4. The combination of these results indicates the formation of amid species at the (100) diamond surface that are promising for the stabilization of NV centers for quantum sensing.

36 MATERIALS SCIENCE↗

NASA NTRS1977

Application of an ultrasonic phase insensitive receiver to material measurements

The theory of a phase insensitive receiver based on acousto-electric effect is presented along with experimental characteristics of a CdS acousto-electric converter (AEC). Since the AEC is nearly phase insensitive, it is ideal for measurements in inhomogeneous materials and/or materials with irregular flatness and parallelism. Through transmission ultrasonic C-scan data of phantom flaws demonstrates a significant improvement in flaw characterization with an AEC over that of a conventional transducer. In addition, measurements with conventional transducers in anisotropically stressed metal samples are shown to lead to grossly inaccurate results due to phase sensitivity. Various other measurements are presented with data contrasting conventional transducers with an AEC in specific NDE applications.

Heyman, J. S.↗

NASA NTRS1977

Application of an ultrasonic phase insensitive receiver to material measurements

Heyman, J. S.↗

NASA NTRS1979

Wide-field electrographic cameras for imagery and spectrography at visual and middle-UV wavelengths

The use of a Kron electrographic detector for wide-field, narrow-band imagery of faint emission nebulosity in the near-UV and visual (3100-6000 A) wavelength interval is described. As an example of the photometric quality of the imagery and of the sensitivity of the instrumentation to diffuse, low-contrast objects, imagery of the Cygnus Loop supernova remnant in the high excitation forbidden line of Ne V 3426 A is presented. In addition, a program to develop electrographic detectors which use cesium telluride photocathodes for broad-band imagery and spectrography in the middle-UV (1650-3100 A) wavelength range is described.

Heckathorn, H. M.↗

NASA NTRS1983

What does the eye see best?

The quantum efficiency of the human eye is measured for detecting a wide variety of spatiotemporal patterns using foveal vision in bright light. The performance of an ideal visual detector whose weighting function is matched to the signal is analyzed in the abstract, and the conditions of a two-interval forced-choice experiment are described. The best stimulus found is a small, briefly exposed circular patch of sinusoidal grating having a spatial frequency of about 7 c/deg, drifting at about 4 Hz. It is proposed that this is the weighting function of the most efficient human contrast detector. This function resembles the receptive field sensitivity profiles of many cortical neurons. The detectors resemble those derived from other recent experiments on both detection and discrimination and may account for a broad range of previous psychophysical results.

Watson, A. B.↗

NASA NTRS1995

Image Registration: A Necessary Evil

Registration of test and reference images is a key component of nearly all PSP data reduction techniques. This is done to ensure that a test image pixel viewing a particular point on the model is ratioed by the reference image pixel which views the same point. Typically registration is needed to account for model motion due to differing airloads when the wind-off and wind-on images are taken. Registration is also necessary when two cameras are used for simultaneous acquisition of data from a dual-frequency paint. This presentation will discuss the advantages and disadvantages of several different image registration techniques. In order to do so, it is necessary to propose both an accuracy requirement for image registration and a means for measuring the accuracy of a particular technique. High contrast regions in the unregistered images are most sensitive to registration errors, and it is proposed that these regions be used to establish the error limits for registration. Once this is done, the actual registration error can be determined by locating corresponding points on the test and reference images, and determining how well a particular registration technique matches them. An example of this procedure is shown for three transforms used to register images of a semispan model. Thirty control points were located on the model. A subset of the points were used to determine the coefficients of each registration transform, and the error with which each transform aligned the remaining points was determined. The results indicate the general superiority of a third-order polynomial over other candidate transforms, as well as showing how registration accuracy varies with number of control points. Finally, it is proposed that image registration may eventually be done away with completely. As more accurate image resection techniques and more detailed model surface grids become available, it will be possible to map raw image data onto the model surface accurately. Intensity ratio data can then be obtained by a "model surface ratio," rather than an image ratio. The problems and advantages of this technique will be discussed.

Bell, James↗

NASA NTRS2010

Inductive Non-Contact Position Sensor

Optical hardware has been developed to measure the depth of defects in the Space Shuttle Orbiter's windows. In this hardware, a mirror is translated such that its position corresponds to the defect's depth, so the depth measurement problem is transferred to a mirror-position measurement problem. This is preferable because the mirror is internal to the optical system and thus accessible. Based on requirements supplied by the window inspectors, the depth of the defects needs to be measured over a range of 200 microns with a resolution of about 100 nm and an accuracy of about 400 nm. These same requirements then apply to measuring the position of the mirror, and in addition, since this is a scanning system, a response time of about 10 ms is needed. A market search was conducted and no sensor that met these requirements that also fit into the available housing volume (less than one cubic inch) was found, so a novel sensor configuration was constructed to meet the requirements. This new sensor generates a nearly linearly varying magnetic field over a small region of space, which can easily be sampled, resulting in a voltage proportional to position. Experiments were done with a range of inductor values, drive voltages, drive frequencies, and inductor shapes. A rough mathematical model was developed for the device that, in most aspects, describes how it operates and what electrical parameters should be chosen for best performance. The final configuration met all the requirements, yielding a small rugged sensor that was easy to use and had nanometer resolution over more than the 200-micron range required. The inductive position sensor is a compact device (potentially as small as 2 cubic centimeters), which offers nanometer-position resolution over a demonstrated range of nearly 1 mm. One of its advantages is the simplicity of its electrical design. Also, the sensor resolution is nearly uniform across its operational range, which is in contrast to eddy current and capacitive sensors whose sensitivity is dependent upon position.

Youngquist, Robert↗