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At least 1,657 records · Page 92

Design and Evaluation of a Tethered, Open Port Sampling Interface for Liquid Extraction-Mass Spectrometry Chemical Analysis

Presented in this work is a tethered, liquid-extraction-sampling interface designed for the mass spectrometric surface sampling/analysis of 3D objects. The tethered, open port sampling interface (TOPSI) incorporates a vacuum line between the sampling probe and ionization source, which enables the ability for an extended, tethered sample transfer line. Herein, several designs of the hand-held TOPSI are presented and evaluated on the basis of the analytical metrics of analyte transport time, peak width, and analyte sensitivity. The best analytical metrics were obtained with capillary flow resistances arranged in a particular order and the vacuum region set at 6.2 kPa. This TOPSI design incorporated a transfer capillary 1 m in length, while retaining a fast analyte transport time (12 s), short signal peak width (5 s baseline-to-baseline), and high analyte signal at 90% of that obtained with a regular open port sampling interface (OPSI). The hand-held TOPSI was demonstrated for the characterization of extracted small molecules and metabolites from the surface of mint and rosemary leaves.

47 OTHER INSTRUMENTATION↗

Panel-Segmentation [SWR-21-18]

Panel-Segmentation contains the scripts for automated metadata extraction of solar PV installations, using satellite imagery coupled with computer vision techniques. In this package, the user can perform the following actions: *Automatically generate a satellite image using a set of lat-long coordinates, and a Google Maps API key. Users would need to set up a Google Cloud account and get a Maps Static API key. Please refer to Setting Up Google Maps Static API Key section for this process. *Perform image segmentation on the satellite image, to locate the solar array(s) in the image on a pixel-by-pixel basis, using an image segmentation model (panel_detection_model.pth). Get classification of the installation (rooftop, ground mounted fixed-tilt or tracking, carport, etc). *Perform azimuth estimation on each solar array cluster in the masked image. *Detect solar panels and get its latitude, longitude, and address within a geographic bounding box through the SOL-Searcher Pipeline. *Detect and calculate hurricane damage on solar installations given pre-hurricane and post-hurricane satellite imagery through the Hurricane Detection Pipeline. *Detect and calculate hail damage on solar installations given satellite imagery through the Hail Detection pipeline. *Convert NOAA MESH (Maximum Estimated Size of Hail) grib2 files into kml or geojson files. *Estimate tilt and azimuth of a solar array by processing USGS LiDAR data for the array’s location.

Edun, Ayobami↗

Mg/2+/-Fe/2+/ order-disorder in cummingtonite, /Mg, Fe/7Si8O22/OH/2 - A new geothermometer.

Determination of the temperature dependence of the Mg(2+)-Fe(2+) distribution between the M4 site and the M1, M2 and M3 sites in magnesium-rich cummingtonites by Fe-57 Mossbauer resonance spectroscopy. For the basic reversible ion-exchange reaction involved, the Gibbs free energy is estimated to be 3.6 to 4.1 kcal/mole, assuming an ideal solution model at each set of sites. The crystallization temperatures of two cummingtonite-bearing metamorphosed ultrabasic rocks are estimated to be 265 and 290 deg C. The Mossbauer resonance spectra are found to be an effective basis for detecting changes in site occupancies as a function of temperature.

Ghose, S.↗

Scout trajectory error propagation computer program

Since 1969, flight experience has been used as the basis for predicting Scout orbital accuracy. The data used for calculating the accuracy consists of errors in the trajectory parameters (altitude, velocity, etc.) at stage burnout as observed on Scout flights. Approximately 50 sets of errors are used in Monte Carlo analysis to generate error statistics in the trajectory parameters. A covariance matrix is formed which may be propagated in time. The mechanization of this process resulted in computer program Scout Trajectory Error Propagation (STEP) and is described herein. Computer program STEP may be used in conjunction with the Statistical Orbital Analysis Routine to generate accuracy in the orbit parameters (apogee, perigee, inclination, etc.) based upon flight experience.

Myler, T. R.↗

Statistical prediction of dynamic distortion of inlet flow using minimum dynamic measurement. An application to the Melick statistical method and inlet flow dynamic distortion prediction without RMS measurements

The Melick method of inlet flow dynamic distortion prediction by statistical means is outlined. A hypothetic vortex model is used as the basis for the mathematical formulations. The main variables are identified by matching the theoretical total pressure rms ratio with the measured total pressure rms ratio. Data comparisons, using the HiMAT inlet test data set, indicate satisfactory prediction of the dynamic peak distortion for cases with boundary layer control device vortex generators. A method for the dynamic probe selection was developed. Validity of the probe selection criteria is demonstrated by comparing the reduced-probe predictions with the 40-probe predictions. It is indicated that the the number of dynamic probes can be reduced to as few as two and still retain good accuracy.

Schweikhard, W. G.↗

Topographic mapping from interferometric synthetic aperture radar observations

Interferometric SAR observations are a basis for the generation of high resolution topographic maps of a region through the interpretation of interference fringes. The combination of height, along-track, and slant range measurements is sufficient for rectification of the radar imagery for cartographic applications, in addition to furnishing an accurate determination of the scene topography. Topographic maps have been derived on the basis of data recorded by both aircraft and Seasat-A satellite radars. A comparison of the maps obtained with U.S. Geological Survey Contour maps indicates a high degree of correlation between two sets of altitude data.

Zebker, H. A.↗

Vertical structure of the wind field during the Special Observing Period I of the Global Weather Experiment

The vertical structure of the global atmosphere is analyzed for selected periods of the Special Observing Period I (SOP-I) for the Global Weather Experiment (GWE). The analysis consists of projection of the stream-function and velocity potential at 200 and 850 mb on spherical harmonics and of the wind and height fields on the normal modes of a linearized form of the primitive equations for a basic state at rest. The kinematic vertical structure is discussed in terms of correlation coefficients of the 200 mb and 850 mb winds and analysis of the internal and external normal modes of the primitive equations. The reliability of the results is checked by applying the same analysis methods to data sets obtained from three different institutions: Geophysical Fluid Dynamics Laboratory (GFDL), European Center for Medium Range Weather Forecasting (ECMWF), and Goddard Laboratory for the Atmospheres (GLA). It is found that, on a global basis, vertically reversing circulations are as important as the equivalent barotropic structures. For the verticaly reversing components, the gravity and mixed Rossby-gravity modes have contributions of the same order of magnitude as those of the Rossby modes in tropical latitudes.

Paegle, J. N.↗

BEST3D user's manual: Boundary Element Solution Technology, 3-Dimensional Version 3.0

The theoretical basis and programming strategy utilized in the construction of the computer program BEST3D (boundary element solution technology - three dimensional) and detailed input instructions are provided for the use of the program. An extensive set of test cases and sample problems is included in the manual and is also available for distribution with the program. The BEST3D program was developed under the 3-D Inelastic Analysis Methods for Hot Section Components contract (NAS3-23697). The overall objective of this program was the development of new computer programs allowing more accurate and efficient three-dimensional thermal and stress analysis of hot section components, i.e., combustor liners, turbine blades, and turbine vanes. The BEST3D program allows both linear and nonlinear analysis of static and quasi-static elastic problems and transient dynamic analysis for elastic problems. Calculation of elastic natural frequencies and mode shapes is also provided.

Source record↗

Processing Raman Spectra of High-Pressure Hydrogen Flames

The Raman Code automates the analysis of laser-Raman-spectroscopy data for diagnosis of combustion at high pressure. On the basis of the theory of molecular spectroscopy, the software calculates the rovibrational and pure rotational Raman spectra of H2, O2, N2, and H2O in hydrogen/air flames at given temperatures and pressures. Given a set of Raman spectral data from measurements on a given flame and results from the aforementioned calculations, the software calculates the thermodynamic temperature and number densities of the aforementioned species. The software accounts for collisional spectral-line-broadening effects at pressures up to 60 bar (6 MPa). The line-broadening effects increase with pressure and thereby complicate the analysis. The software also corrects for spectral interference ("cross-talk") among the various chemical species. In the absence of such correction, the cross-talk is a significant source of error in temperatures and number densities. This is the first known comprehensive computer code that, when used in conjunction with a spectral calibration database, can process Raman-scattering spectral data from high-pressure hydrogen/air flames to obtain temperatures accurate to within 10 K and chemical-species number densities accurate to within 2 percent.

Nguyen, Quang-Viet↗

NASA CARA Tools

The NASA Conjunction Assessment Risk Analysis (CARA) team has created and posted to GitHub a set of MATLAB software tools for collision assessment (CA) analysis. The software is provided to the public under a NASA Open-Source Software Agreement and is maintained/updated by the CARA Analysis team. Capabilities provided within the toolset include algorithms in assessing probability of collision (Pc), collision consequence, covariance realism, Orbit Determination (OD) quality assessment, and single covariance max Pc. Additionally, a set of utilities are provided for astrodynamics topics closely related to CA, such as: Conjunction Data Message (CDM) parsing, covariance transformations, coordinate system transformations, etc. The repository is regularly updated on a monthly basis and new functionality will be added as algorithms are approved for public release. This presentation will provide a brief introduction to the toolset, highlight some of the key components which can be used in operations, and will present information on algorithms that are in the release pipeline and can be expected soon. This software will enable operators to independently perform CA calculations using the same core algorithms that CARA uses in operations.

L. Baars↗

NASA CARA Tools

The NASA Conjunction Assessment Risk Analysis (CARA) team has created and posted to GitHub a set of MATLAB software tools for collision assessment (CA) analysis. The software is provided to the public under a NASA Open-Source Software Agreement and is maintained/updated by the CARA Analysis team. Capabilities provided within the toolset include algorithms in assessing probability of collision (Pc), collision consequence, covariance realism, Orbit Determination (OD) quality assessment, and single covariance max Pc. Additionally, a set of utilities are provided for astrodynamics topics closely related to CA, such as: Conjunction Data Message (CDM) parsing, covariance transformations, coordinate system transformations, etc. The repository is regularly updated on a monthly basis and new functionality will be added as algorithms are approved for public release. This presentation will provide a brief introduction to the toolset, highlight some of the key components which can be used in operations, and will present information on algorithms that are in the release pipeline and can be expected soon. This software will enable operators to independently perform CA calculations using the same core algorithms that CARA uses in operations.

Luis Baars↗

Local Power Impact Experiment Design for a New Fuel Type for use in the Advanced Test Reactor

The Advanced Test Reactor (ATR), and complimentary zero-power ATR Critical (ATRC) reactor, located at Idaho National Labs (INL), are undergoing conversion from Highly Enriched Uranium (HEU) to Low Enriched Uranium (LEU). Both have a variety of testing locations that can receive large variations in flux due to its unique serpentine design, consisting of five lobes (see Figure 1). Initial criticality and power distribution throughout the core are controlled by core-external outer shim control cylinders (OSCCs). Distinct test loops allow for testing at specific temperatures, pressures, and irradiation conditions. The ATR is one of the key nuclear engineering research and testing facilities within the DOE National Laboratory Complex, and the ATRC supports its operation [1]. Currently, the Office of Material Management and Minimization (M3) within the National Nuclear Security Administration of the DOE is working to convert the remaining research reactors, including the ATR, from 93% HEU fuel to 19.75% LEU fuel (LEU) to support non-proliferation [2]. Extensive materials testing at INL and internationally has demonstrated that a high-density uranium molybdenum (U 10Mo) alloy can meet the performance requirements of the remaining high powered research reactors. However, there are many technical challenges to address before the conversion to LEU can be successful, including the accurate characterization of the reactor core physics with LEU fuel. Reactor physics safety evaluations currently use Monte Carlo for the 21st Century (MC21), a continuous-energy Monte Carlo radiation transport code [3]. Existing MC21 models of the ATR and ATRC cores have a validation basis for use in neutronics analyses with HEU fuel. The models are used to support safety analyses that include comparisons to the safety requirements for the reactors. However, the use of the LOWE element in the ATR and ATRC is not currently covered by the current model validation basis. To deploy the new fuel type, extensive computational reactor physics support is necessary to support the use of LOWE in the ATR and ATRC. Therefore, LOWE requires a rigorous validation basis, aligned with that of HEU fuel, that takes advantage of the existing software tools and processes currently used for the ATR and ATRC. The experiment to validate of the MC21 models for determining power, the Power Impact Validation Experiment, will consist of two flux runs in the ATRC, one with fully HEU loading and one with a single LOWE element. Both flux runs will be instrumented with 20 sets of azimuthal fission wires and 3 sets of axial fission wires, as shown in Figure 4. Standard flux run methodology will be used [4]. Power Impact Validation Experiment data will be compared against MC21 calculated data, both for absolute fission rate accuracy and to determine the relative change in fission rates between the two runs. The results of the Power Impact Validation Experiment and subsequent evaluations will provide the validation basis for MC21 for use with LOWE elements. Key features of the Power Impact Validation Experiment include: (1) Two flux runs to allow for LOWE perturbed measurements to be compared to already validated measurements taken from a full core of HEU fuel, (2) Optimization of instrumentation to balance analytical needs with practical considerations (e.g., limited time window to count beta particles from fission products), and (3) Standard ATRC core loading, including both driver positions and flux traps, to minimize cost while remaining representative of typical ATR core loading.

42 ENGINEERING↗

Structural comparison of allophycocyanin variants reveals the molecular basis for their spectral differences

Abstract Allophycocyanins are phycobiliproteins that absorb red light and transfer the energy to the reaction centers of oxygenic photosynthesis in cyanobacteria and red algae. Recently, it was shown that some allophycocyanins absorb far-red light and that one subset of these allophycocyanins, comprising subunits from the ApcD4 and ApcB3 subfamilies (FRL-AP), form helical nanotubes. The lowest energy absorbance maximum of the oligomeric ApcD4-ApcB3 complexes occurs at 709 nm, which is unlike allophycocyanin (AP; ApcA-ApcB) and allophycocyanin B (AP-B; ApcD-ApcB) trimers that absorb maximally at ~ 650 nm and ~ 670 nm, respectively. The molecular bases of the different spectra of AP variants are presently unclear. To address this, we structurally compared FRL-AP with AP and AP-B, performed spectroscopic analyses on FRL-AP, and leveraged computational approaches. We show that among AP variants, the α-subunit constrains pyrrole ring A of its phycocyanobilin chromophore to different extents, and the coplanarity of ring A with rings B and C sets a baseline for the absorbance maximum of the chromophore. Upon oligomerization, the α-chromophores of all AP variants exhibit a red shift of the absorbance maximum of ~ 25 to 30 nm and band narrowing. We exclude excitonic coupling in FRL-AP as the basis for this red shift and extend the results to discuss AP and AP-B. Instead, we attribute these spectral changes to a conformational alteration of pyrrole ring D, which becomes more coplanar with rings B and C upon oligomerization. This study expands the molecular understanding of light-harvesting attributes of phycobiliproteins and will aid in designing phycobiliproteins for biotechnological applications.

Gisriel, Christopher J.↗

Design Basis Document / Owner’s Technical Specification for Nitrate Salt Systems in CSP Projects (Final Technical Report)

The number of commercial coal, gas, and nuclear projects built over the past 100 years number in the thousands. As such, there is a large database, available to a wide range of commercial engineering contractors, on proven designs. In essence, unsuccessful designs have, through generations of iterations, been identified and then deleted from further consideration. In contrast, the number of commercial parabolic trough projects using nitrate salt for the thermal storage media is perhaps 60. Further, the number of commercial central receiver projects using nitrate salt as the working fluid is on the order of 20, including estimates for China. Given the relative immaturity of salt technology, and commercial pressures to successfully bid new solar projects into a mature electricity market, solar projects often promise more than has been delivered. The Design Basis Document / Owner’s Technical Specification is a first step in the iteration process. The report describes the successful features of commercial projects, outlines a range equipment and system failures in projects that didn’t operate as intended, and provides a draft set of design changes intended to correct the known problems. The product of the study is 3 volumes of technical material; one volume is on parabolic trough technologies; a second is on central receiver technologies, and the third is on potential design changes to parabolic trough and central receiver projects. The 3 volumes, which total some 590 pages, can be found at https://www.solardynllc.com/csp-plant-technologies. One of the principal topics in the report is the use of functional or prescriptive specifications. Functional specifications describe what the equipment needs to do, consistent with the minimum legal requirements of the local jurisdictions. The details of how this is to be accomplished is developed by the engineering contractor. Prescriptive specifications, which are developed by the Owner, prescribe to the engineering contractor how the functional requirements are to be met. This arrangement ensures that the favorable experience from a previous project is repeated. One example is the design code for the hot salt tank in central receiver projects. The closest design basis is API Standard 650 Welded Steel Tanks for Oil Storage. However, the maximum design temperature in API 650 is 260 °C. As such, solar projects have typically adopted a hybrid Code approach, in which allowable material stresses are taken from ASME Section II Materials. Further, since the tanks experience daily changes in temperature and in (static) pressure, and since portions of the tank can operate at stresses beyond the elastic range, the low cycle fatigue life of the tank is conducted using the rules of Section VIII Division 2. However, in a recent study by NREL, the principal damage mechanism was identified as creep rather than fatigue. Further, design stresses permitted under Section VIII Division 2, corresponding to a fatigue life of 30 years, result in projected creep lifetimes of only 2 to 5 years. An alternate design approach, prescribed by the Owner, would be based on Code sections intended for high temperature service in the creep regime. A candidate is Section III Division 5. Granted, this is a nuclear code section, and it’s use would not likely be mandated by local jurisdictions. However, the effects of creep have been deemed to be of sufficient importance that one nuclear project developer, and one central receiver project developer, have stipulated in the tank design specification that the equipment be designed to the requirements of Section III Division 5.

14 SOLAR ENERGY↗

The Structural Basis of T4 Phage Lysis Control: DNA as the Signal for Lysis Inhibition

Optimal phage propagation depends on the regulation of the lysis of the infected host cell. In T4 phage infection, lysis occurs when the holin protein (T) forms lesions in the host membrane. However, the lethal function of T can be blocked by an antiholin (RI) during lysis inhibition (LIN). LIN sets if the infected cell undergoes superinfection, then the lysis is delayed until host/phage ratio becomes more favorable for the release of progeny. It has been thought that a signal derived from the superinfection is required to activate RI. Here we report structures that suggest a radically different model in which RI binds to T irrespective of superinfection, causing it to accumulate in a membrane as heterotetrameric 2RI–2T complex. Moreover, we show the complex binds non-specifically to DNA, suggesting that the gDNA from the superinfecting phage serves as the LIN signal and that stabilization of the complex by DNA binding is what defines LIN. Finally, we show that soluble domain of free RI crystallizes in a domain-swapped homotetramer, which likely works as a sink for RI molecules released from the RI–T complex to ensure efficient lysis. These results constitute the first structural basis and a new model not only for the historic LIN phenomenon but also for the temporal regulation of phage lysis in general.

59 BASIC BIOLOGICAL SCIENCES↗

Microkinetic Modeling of the Transient CO 2 Methanation with DFT–Based Uncertainties in a Berty Reactor

The transient operation of methanation reactors can become desirable when coupled with fluctuating renewable energies in Power-to-Gas scenarios, which requires suitable kinetic approaches that can describe the transient catalytic phenomena. A combined experimental and theoretical investigation of the transient CO 2 methanation is conducted using concentration forcing to derive a suitable microkinetic model. Methanation experiments are performed with a Ni/SiO 2 catalyst in a Berty-type reactor at industrially relevant conditions. The microkinetics are based on previous work and were automatically constructed for the Ni(111) facet using the Reaction Mechanism Generator. A feasible set of energetic parameters of the microkinetic models was identified in a theory-constrained optimization procedure within the DFT uncertainty space that can accurately reproduce the experimental results on a first-principles basis. The microkinetic model unravels that the formation of H 2 O* and CH 3 * control the activity and selectivity of Ni(111) under the investigated conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solving the Grad–Shafranov equation using spectral elements for tokamak equilibrium with toroidal rotation

The Grad–Shafranov equation is solved using spectral elements for tokamak equilibrium with toroidal rotation. The Grad–Shafranov solver builds upon and extends the NIMEQ code (Howell and Sovinec, 2014) previously developed for static tokamak equilibria. Both geometric and algebraic convergence are achieved as the polynomial degree of the spectral-element basis increases. A new analytical solution to the Grad–Shafranov equation is obtained for Solov’ev equilibrium in presence of rigid toroidal rotation, in addition to a previously obtained analytical solution for a different set of equilibrium and rotation profiles. The numerical solutions from the extended NIMEQ are benchmarked with the analytical solutions, with good agreements. Besides, the extended NIMEQ code is benchmarked with the FLOW code (Guazzotto et al., 2004). The modification of pressure profile induced by toroidal flow is investigated. The relative change of pressure profile is found significant around the edge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗