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At least 397 records · Page 22

Information Flow in an R and D Laboratory

Statistical analysis of hypotheses concerning roles of technological gatekeeper and primary groups in flow of information in small research and development laboratory

EXPECTANCY HYPOTHESIS↗

Demonstration and Validation of a Portable Raman Sensor for In-Situ Detection and Monitoring of Perchlorate (ClO 4 - )

Costs for environmental analysis and monitoring are increasing at a rapid rate and represent a significant percentage of the total and future remedial expenses at many U.S. Department of Defense (DoD) contaminated sites. It has been reported that about 30 to 40% of the remediation budget is usually spent on long-term monitoring (LTM), of which a large percentage represents laboratory analytical costs. Energetics such as perchlorate (ClO 4 - ) are among the most frequently detected contaminants in groundwater and surface water at or near military installations due to their persistence and mobility. Currently, the standard protocol entails collecting samples in the field, packaging them, and shipping them overnight to a designated laboratory for analysis. This process requires significant sample preparation and handling, and analytical results may not be available for several days to weeks. In this project, we developed and demonstrated a portable Raman sensor based on surface enhanced Raman scattering (SERS) technology to detect ClO 4 - in contaminated water. We summarize major accomplishments as follows: • A SERS sensor based on elevated gold (Au) nano-ellipse dimer architectures was designed and developed for ClO 4 - with a detection limit of ~10 -6 M (or 100 μg/L); The performance of these sensors was evaluated and optimized through variation of their geometric characteristics (i.e., dimer aspect ratio, dimer separation, etc.). • Large-scale commercial production of SERS substrate sensors via nanoimprinting by Nanova Inc. and Nanoimprint lithography (NIL) technology was successfully demonstrated. This is a substantial step forward toward the commercialization of the SERS sensors and may potentially lead to significantly reduced fabrication costs of SERS substrates. • Commercially produced SERS sensors were demonstrated to detect ClO 4 - at levels above 10 -6 M using a portable Raman analyzer. The performance of the commercial SERS sensors for ClO 4 - detection in the presence and absence of interferences was determined for a series of standard solutions. Sulfate (SO 4 2- ) was found to exhibit the greatest interference for the anions tested, which included Cl-, NO 3 - , and SO 4 2- . • Field demonstration of the portable Raman sensor with commercially produced SERS substrates was completed at two Department of Defense (DoD) sites; twice at the Indian Head Naval Surface Warfare Center, Indian Head, MD, and once at Redstone Arsenal, Huntsville, AL. Multiple wells were sampled at both DoD sites, where a standard addition method was employed using the sensor to determine the ClO 4 - 4 - and possibly other energetics that are both important for environmental monitoring and of interest for national security. However, we point out that SERS technology is also prone to interferences due to its sensitivity and responses to other ionic species, such as NO 3 - , SO 4 2- , and dissolved organics or co-contaminants present in the groundwater, which could potentially mask the SERS signal of the target analyte (i.e., ClO 4 - ). As such, SERS analysis was subject to significant variations (e.g., ±20% or more), and its detection limit for ClO 4 - -8 M) and was substantially higher than what we anticipated from laboratory studies. However, despite these complications, the portable Raman sensor developed in this project could be used as a rapid screening tool for ClO 4 - at concentrations above 10 -6 M. Future studies are warranted to further develop the technology and to optimize its performance, and eventually to bring the technology to the market. With additional development and demonstration, the sensor has the potential to reduce analytical costs by eliminating shipping and typical costs associated with laboratory analysis. A cost savings of 30–45% may be realized during a typical sampling event and, more importantly, the technology could allow rapid turn-around of information to decision makers for site characterization and remediation.

47 OTHER INSTRUMENTATION↗

The Investigation of Perchlorate/Iron Phase Mixtures as A Possible Source of Oxygen Detected by the Sample Analysis at Mars (SAM) Instrument in Gale Crater, Mars

The Sample Analysis at Mars (SAM) instrument onboard the Curiosity rover detected O2 and HCl gas releases from the Rocknest (RN) eolian bedform and the John Klein (JK) and Cumberland (CB) drill hole materials in Gale Crater. Chlorinated hydrocarbons have also been detected by the SAM quadrupole mass spectrometer (QMS) and gas chromatography/mass spectrometer (GCMS). These detections along with the detection of perchlorate (ClO4-) by the Mars Phoenix Lander's Wet Chemistry Laboratory (WCL) suggesting perchlorate is a possible candidate for evolved O2 and chlorine species. Laboratory thermal analysis of individual per-chlorates has yet to provide an unequivocal temperature match to the SAM O2 and HCl release data. These detections along with the detection of perchlorate (ClO4-) by the Mars Phoenix Lander's Wet Chemistry Laboratory suggested perchlorate is a possible candidate for evolved O2 and chlorine species. Laboratory thermal analysis of pure perchlorates has yet to provide an unequivocal temperature match to the SAM O2 and HCl release data. Analog laboratory analysis of iron mineralogy detected in Gale materials that was physically mixed with Ca- and Mg-perchlorate has been shown to catalyze lower O2 release temperatures and approach some SAM O2 release data. Instead of physical mixtures used in previous work, the work presented here utilized perchlorate solutions added to Fe phases. This technique allowed for perchlorate to come in closer contact with the Fe-phase and may more closely mimic Mars conditions where humidity can increase enough to cause deliquescence of the highly hygroscopic perchlorate phases. The objective of this work is to: 1) Utilize a laboratory SAM analog instrument to evaluate the O2 release temperatures from Mg- and Ca-perchlorates solutions applied to Fephases detetected in Gale Crate; and 2) Determine if perchlorate solutions can provide improved matches with the SAM O2 temperature release profiles.

Sutter, B.↗

Idaho National Laboratory Quarterly Event Performance Analysis FY 2013 4th Quarter

This report is published quarterly by the Idaho National Laboratory (INL) Performance Assurance Organization. The Department of Energy Occurrence Reporting and Processing System (ORPS) as prescribed in DOE Order 232.2 “Occurrence Reporting and Processing of Operations Information” requires a quarterly analysis of events, both reportable and not reportable for the previous twelve months. This report is the analysis of occurrence reports and deficiency reports (including not reportable events) identified at the Idaho National Laboratory (INL) during the period of October 2012 through September 2013.

99 GENERAL AND MISCELLANEOUS↗

Siting study for a consolidated waste capability at Los Alamos National Laboratory

Decision analysis was used to rank alternative sites for a new Consolidated Waste Capability (CWC) to replace current hazardous solid waste operations (hazardous/chemical, mixed lowlevel, transuranic, and low-level waste) at Los Alamos National Laboratory's TA-54 Area G. An original list of 21 site alternatives was pre-screened to ten sites that were assessed using the analytical hierarchy process with five top-level criteria and fifteen sub-criteria. Three passes of the analysis were required to assess different site scenarios: 1) a fully consolidated CWC with both transfer/storage and LL W disposal in one location (45 acre minimum), 2) CWC transfer/storage only (12 acre minimum), and 3) LLW disposal only (33 acre minimum). The top site choice for all three options is TA-63/52/46; the second choice is TA-18/36. TA-54 East, Zone 4 also deserves consideration as a LLW disposal site.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A Nonrelational Data Warehouse for the Analysis of Field and Laboratory Data From Multiple Heterogeneous Photovoltaic Test Sites

A nonrelational, distributed computing, data warehouse, and analytics environment (Energy-CRADLE) was developed for the analysis of field and laboratory data from multiple heterogeneous photovoltaic (PV) test sites. This data informatics and analytics infrastructure was designed to process diverse formats of PV performance data and climatic telemetry time-series data collected from a PV outdoor test network, i.e., the Solar Durability and Lifetime Extension global SunFarm network, as well as point-in-time laboratory spectral and image measurements of PV material samples. Using Hadoop/HBase for the distributed data warehouse, Energy-CRADLE does not have a predefined data table schema, which enables ingestion of data in diverse and changing formats. For easy data ingestion and data retrieval, Energy-CRADLE utilizes Hadoop streaming to enable Python MapReduce and provides a graphical user interface, i.e., py-CRADLE. By developing the Hadoop distributed computing platform and the HBase NoSQL database schema for solar energy, Energy-CRADLE exemplifies an integrated, scalable, secure, and user-friendly data informatics and analytics system for PV researchers. Furthermore, an example of Energy-CRADLE enabled scalable, data-driven, analytics is presented, where machine learning is used for anomaly detection across 2.2 million real-world current-voltage (I–V) curves of PV modules in three distinct Koppen–Geiger climatic zones.

14 SOLAR ENERGY↗

Geomechanical Testing of Bayou Choctaw 102B Core for SPR Analysis

A laboratory testing program was developed to examine the short-term mechanical and time-dependent (creep) behavior of salt from the Bayou Choctaw Salt Dome. This report documents the test methodologies, and constitutive properties inferred from tests performed. These are used to extend our understanding of the mechanical behavior of the Bayou Choctaw domal salt and provide a data set for numerical analyses. The resulting information will be used to support numerical analyses of the current state of the Bayou Choctaw Dome as it relates to its crude oil storage function as part of the US Strategic Petroleum Reserve. Core obtained from Drill Hole BC-102B was tested under creep and quasi-static constant mean stress axisymmetric compression, and constant mean stress axisymmetric extension conditions. Creep tests were performed at 100 degrees Fahrenheit, and the axisymmetric tests were performed at ambient temperatures (72-78 degrees Fahrenheit). The testing performed indicates that the dilation criterion is pressure and stress state dependent. It was found that as the mean stress increases, the shear stress required to cause dilation increases. The results for this salt are reasonably consistent with those observed for other domal salts. Also it was observed that tests performed under extensile conditions required consistently lower shear stress to cause dilation for the same mean stress, which is consistent with other domal salts. Young's moduli ranged from 3.95 x 10 6 to 8.51 x 10 6 psi with an average of 6.44 x 10 6 psi, with Poisson's ratios ranging from 0.10 to 0.43 with an average of 0.30. Creep testing indicates that the BC salt is intermediate in creep resistance when compared with other bedded and domal salt steady-state behavior.

58 GEOSCIENCES↗

Vapor deposition and condensate flow on combustion turbine blades - Theoretical model to predict/understand some corrosion rate consequences of molten alkali sulfate deposition in the field or laboratory

An analysis is undertaken of aerodynamically- and centrifugally-driven liquid condensate layers on nonisothermal combustion turbines' stator vanes and rotor blades. Attention is given to the quantitative consequences of one possible mechanism for the initiation of 'hot corrosion' in the underlying blade material through a 'fluxing' of the protective oxide coating by the molten salt of the Newtonian condensate film. Illustrative calculations are presented for the condensate streamline pattern and the distributions of the steady-state condensate layer thickness, together with the corresponding oxide dissolution rate, for a test turbine blade.

Rosner, Daniel E.↗

Experimental Evaluation of Multi-spacecraft Data Analysis Techniques in a Laboratory Plasma

The Magnetic Reconnection Experiment (MRX)[1] has been utilized to assess the effectiveness of minimum variance analysis on the magnetic field (MVAB) and boundary-crossing time analysis (BCTA). The neutral sheet is swept, or jogged, in a controlled manner with respect to the stationary probes by pulsed internal coil currents. Magnetic field data from measurement points resembling data from multi-spacecraft flying though a reconnecting current sheet is used to check both techniques to deduce a proper normal vector. We examine discharges with the two-dimensional (2-D) X-line structure as well as cases in which a flux rope forms within the layer. All discharges are in a two-fluid regime in which electrons are magnetized but not ions. Boundary-crossing time analysis with four sample measurement points forming a tetrahedron generates a reasonable unit normal vector and relative velocity along the normal vector for all of the tested cases. On the other hand, MVAB sometimes fails to predict a proper normal direction. This is because the X-line magnetic geometry is fundamentally 2-D or 3-D. However, the direction along the reconnecting field determined by MVAB does not deviate much from the real magnetic geometry documented by 2-D magnetic probe arrays and one additional probe at a different toroidal location. Based on these observations, we suggest a procedure for determining a local coordinate system for data from the Magnetospheric Multi-Scale (MMS) mission when spacecraft passes through a reconnecting current sheet. The distance between measurement points on the order of the ion skin depth ($c/\omega_{pi}$) is pertinent to determination of the magnetic geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Cation ordering and physicochemical characterization of the quaternary diamond-like semiconductor Ag[subscript 2]CdGeS[subscript 4]

The quaternary diamond-like semiconductor, Ag2CdGeS4, was synthesized via high-temperature solid-state synthesis as well as structurally and physicochemically characterized. Single crystal X-ray diffraction provided a model for Ag2CdGeS4 in the orthorhombic, noncentrosymmetric space group Pna21 with a=13.7415(8) {angstrom}, b=8.0367(5) {angstrom} and c=6.5907(4) {angstrom}, in contrast to a previously published model in Pmn21 from the Rietveld analysis of laboratory X-ray powder diffraction data. The Pna21 space group is supported by the Rietveld analysis of synchrotron X-ray powder diffraction data. Differential thermal analysis suggests that Ag2CdGeS4 exists in two polymorphs. Optical diffuse reflectance UV/vis/NIR spectroscopy indicates that the orange compound is a semiconductor with a band gap of 2.32 eV. Optical microscopy, scanning electron microscopy, energy dispersive spectroscopy and inductively coupled plasma optical emission spectroscopy were used to further characterize the material.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of Algal Biomass Yield Improvements in an Integrated Process (Final Report)

This project built on the success of Global Algae Innovations Algae Biomass Yield Phase 1 project to accelerate the commercialization of algal biofuels through development of an integrated, economical, photosynthetic, open raceway system to produce algal oil. Two parallel pathways to a biofuel were investigated. In the algal crude oil pathway, highlighted in blue, the dewatered algal biomass slurry is used as a feed to hydrothermal liquefaction to produce an algae crude oil and recycle aqueous stream. In the algal lipid oil pathway, highlighted in green, the algal biomass slurry is dried, and the oil is extracted to produce an algal lipid oil biofuel intermediate and a high protein algae meal co-product. Upgrading to drop-in fuels has been demonstrated for the biofuel intermediates in both pathways. Since the algal lipid oil pathway requires lipid accumulation, the productivity is generally lower than the algal crude oil pathway, but the required productivity for economical algal biofuel production is also lower because the coproduct value is greater. The outdoor cultivation was performed at the Kauai Algae Farm. The project team has expertise across the full breadth strain development, advanced algal cultivation, open raceway contamination control, CO 2 supply, harvesting, dewatering, extraction, hydrothermal liquefaction, technoeconomic analysis and life cycle analysis: Hildebrand laboratory at Scripps Institution of Oceanography – diatom strain development. Mayfield laboratory at UCSD - green algae strain development. TSD Management Associates- CO 2 supply, algal harvesting and dewatering, and algal drying and extraction. Qualitas - large-scale test site for algal harvesting technology. Texas A&M University - algal drying and extraction technology. Pacific Northwest National Laboratory - hydrothermal liquefaction technology. GE Water and Power - membrane technology. National Renewable Energy Laboratory - algal techno-economic analysis. Phase 1 of the project resulted in tremendous productivity and pre-processing improvements in an integrated, large-scale, low-cost cultivation and pre-processing process that moved algal technology closer to economic viability for biofuels than ever before. Phase 2 accomplishments further facilitate development of a commercial algal biofuel industry by adding: several top performing strains and strain development tools including breeding; open-pond cultivation innovations that achieved a 30% improvement in overall productivity, an 83% reduction in cost, and a 95% reduction in energy use relative to conventional technology; further improvements in harvesting that led to the Zobi harvester ® as a universal, economical, low energy, commercially available microalgae harvesting solution; breakthroughs in drying and extraction including a new low energy drying process and several new low energy extraction unit operations that together with the Zobi harvester ® achieve a 90% reduction in cost and 97% reduction in energy use relative to conventional technology. These improvements are sufficient to enable economical production of algae biofuel and protein meal co-product if the process were scaled up to a commercial-scale 5,000-acre algae farm.

09 BIOMASS FUELS↗

Summary of 1971 pattern recognition program development

Eight areas related to pattern recognition analysis at the Earth Resources Laboratory are discussed: (1) background; (2) Earth Resources Laboratory goals; (3) software problems/limitations; (4) operational problems/limitations; (5) immediate future capabilities; (6) Earth Resources Laboratory data analysis system; (7) general program needs and recommendations; and (8) schedule and milestones.

Whitley, S. L.↗

NRWAL (NLR formerly known as NREL Wind Analysis Library) [SWR-21-26]

NRWAL (NLR (National Laboratory of the Rockies) formerly known as NREL (National Renewable Energy Laboratory) Wind Analysis Library: A library of offshore wind cost equations (plus new energy technologies like marine hydro!) Easy equation manipulation without editing source code Full continental-scale integration with the NREL Renewable Energy Potential Model (reV) https://nrel.github.io/reV/ Ready-to-use configs for basic users Dynamic python tools for intuitive equation handling One seriously badass sea unicorn To get started with NRWAL, check out the NRWAL Config documentation or the NRWAL example notebook. You can also launch the notebook in an interactive jupyter shell right in your browser without any downloads or software using binder. Ready to build a model with NRWAL but don't want to contribute to the library? No problem! Check out the example getting started project here. Here is the important stuff: The NRWAL Equation Library. Default NRWAL Configs

Nunemaker, Jacob↗

Detection of Reduced Nitrogen Compounds at Rocknest Using the Sample Analysis At Mars (SAM) Instrument on the Mars Science Laboratory (MSL)

The Sample Analysis at Mars (SAM) instrument suite on the Mars Science Laboratory (MSL) Curiosity Rover detected nitrogen-bearing compounds during the pyrolysis of Rocknest material at Gale Crater. Hydrogen cyanide and acetonitrile were identified by the quadrupole mass spectrometer (QMS) both in direct evolved gas analysis (EGA). SAM carried out four separate analyses from Rocknest Scoop 5. A significant low temperature release was present in Rocknest runs 1-4, while a smaller high temperature release was also seen in Rocknest runs 1-3. Here we evaluate whether these compounds are indigenous to Mars or a pyrolysis product resulting from known terrestrial materials that are part of the SAM derivatization.

Sample Analysis at Mars↗

Comparison of Laboratory Analytical Methods for Uranium Analysis Superior Steel FUSRAP Site - 16606

The Superior Steel Site processed uranium metal in support of the Atomic Energy Commission's fuel-element development program in the 1950's, and was subsequently classified as a Formerly Utilized Sites Remedial Action Program (FUSRAP) Site. Previous investigations at the site identified uranium contamination both inside and outside the buildings associated with historic uranium metalworking activities. The U.S. Army Corps of Engineers (USACE) is currently engaged in the Remedial Investigation (RI) phase in accordance with the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) of 1980, as amended. As part of the RI, gamma spectroscopy analysis of environmental samples was performed on-site using a laboratory-grade, high-purity germanium (HPGe) spectrometer. The gamma spectroscopy analysis included isotopes of uranium and their progeny. As a quality assurance measure, a subset of samples already analyzed on-site were sent to a certified, commercial, off-site laboratory for analysis using a suite of analytical methods including gamma spectroscopy, alpha spectroscopy, and mass spectroscopy. As an element of the quality assurance program implemented for the RI, an assessment of the correlations between the various analytical methods employed by both the on-site and off-site laboratory was performed. This assessment revealed inconsistencies between on-site and off-site gamma spectroscopy analytical results, which raised concerns about the appropriateness and suitability of the analytical data. To resolve the data quality concerns and better understand the source(s) of analytical results variability, the Superior Steel RI team (USACE together with its contractor, Amec Foster Wheeler) developed a quality control test whose design objective was to control or practically eliminate sampling and sample preparation variability in order to focus more clearly on analytical variability. This paper discusses the results of this supplemental quality control test, showing the differences in the various analytical methods (both on-site and off-site). It demonstrates in a practical and real world setting how sample preparation and analytical variability, if not controlled and understood can impact data quality and data defensibility. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

genshell

GENSHELL is a three-dimensional shell mesh generation program. The threedimensional shell mesh is generated by mapping a two-dimensional quadrilateral mesh into three dimensions according to one of several types of transformations: translation, mapping onto a spherical, ellipsoidal, or cylindrical surface, and mapping onto a user-defined spline surface. The generated three-dimensional mesh can then be reoriented by offsetting, reflecting about an axis, revolving about an axis, and scaling the coordinates. GENSHELL can be used to mesh complex three-dimensional geometries composed of several sections when the sections can be defined in terms of transformations of two-dimensional geometries. The code GJOIN is then used to join the separate sections into a single body. GENSHELL updates the EXODUS quality assurance and information records to help track the codes and files used to generate the mesh. GENSHELL reads and writes two-dimensional and three-dimensional mesh databases in the GENESIS database format; there, it is compatible with the preprocessing, postprocessing, and analysis codes in the Sandia National Laboratories Engineering Analysis Code Access System (SEACAS).

Sjaardema, GregoryD.↗

Detection and Quantification of Nitrogen Compounds in the First Drilled Martian Solid Samples by the Sample Analysis at Mars (SAM) Instrument Suite on the Mars Science Laboratory (MSL)

The Sample Analysis at Mars (SAM) instrument suite on the Mars Science Laboratory (MSL) Curiosity Rover detected both reduced and oxidized nitrogen-bearing compounds during the pyrolysis of surface materials at Yellowknife Bay in Gale Crater. Preliminary detections of nitrogen species include NO, HCN, ClCN, CH3CN, and TFMA (trifluoro-N-methyl-acetamide). Confirmation of indigenous Martian N-bearing compounds requires quantifying N contribution from the terrestrial derivatization reagents (e.g. N-methyl-N-tertbutyldimethylsilyltrifluoroacetamide, MTBSTFA and dimethylformamide, DMF) carried for SAM's wet chemistry experiment that contribute to the SAM background. Nitrogen species detected in the SAM solid sample analyses can also be produced during laboratory pyrolysis experiments where these reagents are heated in the presence of perchlorate, a compound that has also been identified by SAM in Mars solid samples.

Curiosity rover↗