Search NASA⌕ Search

SEARCH · Search NASA

Results for “Phase 1 Testing”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

High Energy Micron Scale Pixel Hybrid Detector

The objective of this technology development project has been to fabricate and characterize a new X-ray area image sensor innovation designed for high efficiency detection and imaging of hard X-rays (>20 KeV) with micron scale pixel resolution. A key technology component consists of a monolithic hybrid X-ray detector built by layering an amorphous Selenium X-ray photoconductor film directly deposited on a small pitch (7.8μm) CMOS active pixel readout array. A specific goal of this work is to provide a new detector tool to researchers working with synchrotron light sources, to extend the depth of exploration into nanoscale structures, and do so cost effectively. Early generation X-ray imaging detector tools fail to provide adequate resolving power and efficiency at high energies and our innovation provides a solution. A majority of proposed phase I tasks were completed. Those tasks included, in collaboration with KA Imaging, successful fabrication of specified a-Se layers on a 1Mpixel CMOS readout array to create the direct hybrid X-ray imaging array, packaging of the imaging array, assembly of electronics into a shielded detector box, loading user interface software for camera control and image capture, and performing initial (no X-ray) detector evaluation at Farrier Microengineering facilities. After initial tests, extensive testing using the X-ray beam line 1-BM source at Argonne National Laboratory Advanced Photon Source(ANL-APS) was performed. Imaging performance studies were conducted at multiple X-ray beam energies. Studies included X-ray response vs. X-ray energy, vs. applied detector field strength (HV), response linearity vs. integration time, MTF vs. beam energy, image lag measurements, and micron scale resolution pattern target imaging. This high energy micron scale X-ray detection technology is a first of a kind to be evaluated at the ANL-APS and is supported by Dr. Antonino Miceli, head of the detector physics group. Accomplishments include the first successful demonstration of a 1Mpix amorphous Selenium on CMOS readout direct hybrid X-ray imaging detector at a DOE sponsored National Laboratory. Modeled performance predictions were confirmed, proving micron scale resolution as well as an order of magnitude increase in conversion efficiency over conventional scintillator detector performance. A discovery of evidence of propagation-based phase contrast edge enhancement was unplanned and will be exploited in future experiments. This phase 1 technology demonstration verifies the efficacy of proposed high energy micron scale pixel X-ray hybrid a-Se imaging array products. The new detector products will cost effectively replace early generation detector technologies that currently fail to address increasing demand for tools to study nano structures and physical processes at high X-ray energies above 20keV. For example, current systems for transmission X-ray microscopy have low efficiency and available large pixel (~55µm) direct detectors do not offer sufficient resolution for Bragg fringe imaging at high energies. This detector innovation will solve these inadequacies. The new detector technology will compete in a $50M scientific X-ray detector market, growing at 6%, and will benefit Microtomography(µCT), X-ray diffractometry (XRD), Coherent Diffraction Imaging (CDI) applications. One application specified by Dr. Miceli at ANL is the 3D reconstruction of compact crystals at high energies requires small pixel high efficiency X-ray detectors. Farrier Microengineering, working with colleagues at KA Imaging and the University of Waterloo, successfully achieved the critical objectives of the Phase I proposal. We have proven the technical feasibility of this innovation by building and successfully testing a 1Mpixel a-Se/CMOS hybrid direct X-ray imaging array. Our commercialization roadmap of detector products will be implemented during a phase II project. We will demonstrate a migration of the technology to larger detector array sizes, improved temporal performance with detector layer engineering, and improved environmental and operational stability. Manufacturability and cost effectiveness are key objectives and product designs will leverage current state of the art CMOS wafer fabrication quality and volume manufacturing economics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Annual Scientific Focus Area Report for the Energy Exascale Earth System Model Project: Phase II

The project's long-term goal is to assert and maintain an international scientific leadership position in the development of Earth system models that address the grand challenge of actionable predictions of Earth system variability and change, with an emphasis on the most critical scientific questions facing the nation and DOE. The grand challenge will be addressed by overcoming three major limitations: Pushing the high-resolution frontier of Earth system modeling through a combination of strategic model development and computational advances targeting exascale computers and beyond. Bridging the gap in scales and processes by developing a new class of models that couple the natural, managed, and man-made systems across scales to address energy sector vulnerability to variability and change. The project will achieve its goal through four intersecting project elements: A series of prediction and simulation experiments addressing scientific questions and mission needs; A well-documented and tested, continuously advancing, evolving, and improving system of model codes that comprise the E3SM Earth system model; The ability to use effectively leading (and “bleeding”) edge computational facilities soon after their deployment at DOE national laboratories; and An infrastructure to support code development, hypothesis testing, simulation execution, and analysis of results. To achieve the Grand Challenge of actionable Earth system predictions to address the most critical scientific questions facing our nation and DOE, the E3SM project defined its strategy in a fifteen-year roadmap with four intersecting project elements: A series of prediction and simulation experiments addressing scientific questions and mission needs; A well-documented and tested, continuously advancing, evolving, and improving system of model codes that comprise the E3SM Earth system model ; The ability to use effectively leading (and “bleeding”) edge computational facilities soon after their deployment at DOE national laboratories; and An infrastructure to support code development, hypothesis testing, simulation execution, and analysis of results. Figure 1 depicts the E3SM Project Roadmap, showing the relationships among the first three major project elements: the simulations, the modeling system to perform those simulations, and the machines on which they will be executed. Unlike the other three elements that have distinct but overlapping phases, the fourth element, the infrastructure, will evolve continuously based on the requirements imposed by project needs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

AGR-5/6/7 Test Train Disassembly & Tools Phases I & II

This document provides the process for qualification of the AGR-5/6/7 Test Train Disassembly equipment for remote operation in the HFEF Main Cell. The test train is composed of five welded stainless steel capsules that are expected to be transported in two sections. The first section will be Capsules 1 and 2. The second section will include Capsules 3, 4 and 5. The capsules range in length from about 9 inches to about 12 inches. Inside the capsules is a graphite holder that contains multiple fueled AGR compacts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Southeast Carbon Sequestration Partnership (SECARB) Phase III Anthropogenic Test at Citronelle Field, Mobile Co., AL. Post-Injection Period Reservoir Modeling Report

The Southeast Carbon Sequestration Partnership (SECARB) Anthropogenic Test is a U.S. Department of Energy funded fully integrated carbon capture and storage initiative designed to demonstrate deep underground injection and containment of anthropogenic CO 2 sourced from Alabama Power’s Plant Barry. From August 20, 2012 to September 1, 2014, a total of 114,014 metric tonnes of CO 2 were transported via pipeline from Plant Barry and stored in a saline aquifer under a portion of the Citronelle Field operated by Denbury Onshore, LLC near Citronelle, Alabama. A major component of this project was to test and develop techniques to monitor, verify and account (MVA) for the CO 2 stored in the aquifer by the project. A suite of technologies were applied and developed to demonstrate non-endangerment of underground sources of drinking water (USDW’s) and to ensure that CO2 does not migrate out of intended zones within the subsurface. This involved several levels of monitoring: 1) Surface monitoring, 2) shallow groundwater monitoring, 3) deep reservoir monitoring and experimental MVA activities. Numerical models were developed to determine the project’s Area of Review (AoR) and to investigate the simulated advancement of the CO 2 plume through the subsurface aquifer for 30 years after the end of injection. An initial baseline area of review of 1,700 ft. was established. The key results demonstrating non-endangerment of USDW’s are presented.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Effect of secondary gas-phase reactions (SGR) in pyrolysis of carbon feedstocks for anisotropic carbon materials production – 2: Effects of SGR on tars produced from varying ranks of coal

Herein, this work explores the extent to which secondary gas-phase reactions (SGR) in pyrolysis can be used to modify coal tar chemistries from coals of different ranks in favor of improved anisotropy formation in their respective pitches. Pyrolysis was performed on four different coals of varying bituminous rank (Utah Sufco, Wyoming PRB Black Thunder, Illinois #6, and West Virginia Flying Eagle), with SGR temperatures ranging from 800 to 900° C and nominal SGR gas-phase residence times from 1 to 2.5 s. The oxygen content, aliphatic content, and molecular weight distributions of the coal tar samples were measured to indicate the changes with increasing levels of SGR, and microscopy was also used to measure changes in anisotropy formation in the resulting pitch samples. Generally, for all coals tested, increased levels of pyrolysis SGR led to decreased oxygen and aliphatic content, increased molecular weight sizes, and improved anisotropy formation. However, it was clear that the extent of these property changes depended on the chemistry and rank of the starting coal feedstock. Despite the relatively high rank of the Illinois #6 coal, its respective pitch samples performed poorly in improving anisotropy formation, due to its high sulfur content. The PRB, Sufco, and Flying Eagle coals performed better in their anisotropy formation than Illinois #6, depending on their respective coal ranks. Statistical analysis (analysis of variance, ANOVA) performed on the sample characterization data also suggests that SGR temperature is consistently the most dominant and significant effect on the resulting coal products.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Materials for Advanced Ultra-Supercritical (A-USC) Steam Turbines --- A-USC Component Demonstration

The U.S. Advanced Ultra-Supercritical (A-USC) Consortium was formed in 2001 as a government/industry program, sponsored by the U.S. Department of Energy (DOE) and the Ohio Coal Development Office (OCDO) and cost shared by industrial and not-for-profit partners. The purpose of the consortium was to advance the state of the art for power generation by evaluating and developing materials that allow the use of advanced steam cycles in coal-based power plants. These advanced cycles, with steam temperatures up to 1400°F (760°C), can increase the efficiency of coal-fired boilers from an average of 35% (current U.S. fleet) to more than 45% higher heating value (HHV) (>49% lower heating value [LHV]). The increase in a plant’s efficiency is limited unless new materials able to withstand these higher operating temperatures and pressures are identified and approved for use. The A-USC Consortium identified these needed materials during earlier phases of the program. It developed the welding and joining techniques along with manufacturing processes for casting and wrought products made from these new high-nickel alloys. It subjected these materials to extensive laboratory and steam loop testing. It then obtained ASME code approval for their use in U.S. boiler systems. The program’s successes leave this last remaining activity (ComTest Phase 2) that the U.S. utility industry has recommended to be accomplished prior to commercialization. The focus of the activity is the evaluation and demonstration of commercial readiness for “full scale” components to be made from these nickel-based alloy materials and provided by a U.S. domestic supply chain that is new to working with these alloys. According to studies completed by the Electric Power Research Institute (EPRI), the cost of an A-USC plant is approximately 20% higher than a non-A-USC plant because of its use of nickel-based alloys needed for the high temperature operating conditions. However, CO 2 reductions of approximately 30% from the current fleet average provide a strong incentive for its consideration. The actual costs and perceived value for CO 2 abatement will determine whether new or retrofitted plants are undertaken, although decisions to build A-USC plants in India would indicate its economic feasibility while also being part of a global carbon emissions strategy. The work by the A-USC Consortium, prior to the start of the ComTest project, has included lab scale and pilot scale materials testing, both in air and oxy-combustion. This testing has included air-cooled and steam-cooled “loops” that were installed into existing operating utility boilers to gain exposure of these materials to realistic conditions of high temperature and corrosion caused by the constituents in the coal ash. The A-USC Consortium also gained ASME Code approval of the Inconel 740 material, has cast and extruded the largest high nickel precipitation hardened alloys, and developed unique welding techniques to avoid problems identified by the competing European program. However, as valuable as these material test loops and accomplishments have been for obtaining information, their scale is below that required to minimize the risk associated for a U.S. utility to build a multibillion-dollar A-USC power plant. To reduce the final identified risk barrier to full-scale commercialization of these advanced materials and systems, the A-USC Consortium (guided by a utility industry advisory committee) has identified the key areas of the technology they desire to see as being capable of full-scale manufacturing and/or fabrication from an identified, capable U.S. domestic supplier base. A significant amount of work was accomplished during Phase 1 to identity the components, as well as the component size, that would be manufactured from advanced alloys such as Inconel 740H or Haynes 282 alloys. Pathways to supply these components for ComTest have been identified, as well as any further development that would be required. The Phase 2 effort used Phase 1 findings for designing these key full-scale components for A-USC boilers and turbines to include large castings; extrusions, forgings, fabrication of water walls and steam loops with headers from advanced materials, raw material (such as pipe extrusion billets) are at the commercial readiness level to permit advancement to a demonstration project. The Phase 2 work scope was addressed by a diverse team, including government, industry, and not-for-profit partners. The work scope under Phase 2 addressed fabrication of components identified as being outside of the proven capabilities of the existing supply chain, including the following: Steam turbine rotor forging and Haynes 282 nozzle carrier casting Superheater and reheater header and tube assemblies Large-diameter pipe extrusions and forgings Test valve articles to support ASME Code approval. In addition, key fabrication steps were completed, including boiler weld overlays and simulated field repairs. Throughout, extensive inspection and quality assurance testing of the components were performed. The team worked to advance ASME Code approval for key components and processes. Although much of the focus of ComTest Phase 2 was the high-temperature nickel-based alloy materials, a broader range of materials were incorporated, which would be representative of the materials used in full-scale A-USC power plant applications and have cross-cutting applicability on other high-temperature power generation options, such as advanced nuclear, supercritical CO 2 cycles, and central solar receivers. This report that has been submitted is organized in the following manner: Section 1 contains an Executive Summary. Section 2 discusses the ComTest project background and organization. Section 3 discusses project management and reporting. Section 4 discusses the procurement of nickel-based alloy and other A-USC materials and components. Section 5 discusses the fabrication of procurement of nickel-based alloy and other A-USC materials and components. Section 6 discusses the fabrication of cast nickel-based A-USC steam turbine components. Section 7 discusses the fabrication of forged nickel-based A-USC steam turbine piping and steam pipe components. Section 8 discusses the qualification of pressure relieve valves (PRVs) for A-USC power plants. Section 9 discusses proposed plans for future evaluation of A-USC components. Section 10 contains the summary and conclusion.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2019

Development of a Thermal Spray, Redox Stable, Ceramic Anode for Metal Supported SOFC

In this program, GE global research and GE fuel cells in Malta conducted thermal spray optimization experiments, initially focusing on a well-established ceramic anode formulation, lanthanum strontium titanate combined with gadolinium doped ceria. Powder engineering work was conducted both internally and with vendors to develop repeatable, stable, and flowable thermal spray feedstocks. Agglomerate sintering was conducted in the last phase of the project, building on earlier program work, and was used to increase run stability during the longer scaled up runs for the 410 cm 2 cells. Further powder engineering would be needed to fully design a powder ready for full scale manufacturing. During preliminary work on the LST-GDC electrodes, GE demonstrated 100 cm 2 stacks enduring multiple redox cycles with limited impact. Another key finding on the project was the identification of process conditions for two component ceramic anode thermal spray without the formation of phase impurities which were present in all early work on the program. GE global research and West Virginia University screened a large number of ceramic anode formulations, focused on identifying materials with ideal materials properties for use in SOFC anodes. In addition, synthetic scaling research was conducted to increase powder synthesis batch size several orders of magnitude during the course of project work. West Virginia University was able to show button cells using two component ceramic anodes which produced > 890 mW/cm 2 and even a single component SOFC button demonstrating > 1 W/cm 2 performance. These button cell tests show the great potential of these redox stable materials. Down-selected ceramic anode formulations were combined with the optimized thermal spray process methods to first demonstrate multiple groups of 100 cm 2 SOFC stacks able to achieve the power density goals for the project. GE research also quickly investigated the performance of a subset of these formulations on long term degradation tests and assessed their performance on simulated natural gas reformate. In the final phase of the program, scaling activities were employed to translate from the 100cm2 process up to 410 cm 2 . Two large format 10-cell stack tests were completed, and one of these stacks produced 0.987 kW which is one of the highest power demonstrations of ceramic anode, metal support, SOFC technology known to GE. These ceramic anode stacks had been produced with all other materials in the stack held constant, demonstrating the flexibility of the thermal spray process in scaling to very large electrode size.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2015

Synergistic Computational and Microstructural Design of Next- Generation High-Temperature Austenitic Stainless Steels

The purpose of this project was to: 1) study deformation twinning, its evolution, thermal stability, and the contribution on mechanical response of the new advanced stainless steels, especially at elevated temperatures; 2) study alumina-scale formation on the surface, as an alternative for conventional chromium oxide, that shows better oxidation resistance, through alloy design; and 3) design new generation of high temperature stainless steels that form alumina scale and have thermally stable nano-twins. The work involved few baseline alloys for investigating the twin formation under tensile loading, thermal stability of these twins, and the role of deformation twins on the mechanical response of the alloys. These baseline alloys included Hadfield Steel (Fe-13Mn-1C), 316, 316L and 316N stainless steels. Another baseline alloy was studied for alumina-scale formation investigations. Hadfield steel showed twinning but undesired second phases formed at higher temperatures. 316N stainless steel did not show signs of deformation twinning. Conventional 316 stainless steel demonstrated extensive deformation twinning at room temperature. Investigations on this alloy, both in single crystalline and polycrystalline forms, showed that deformation twins evolve in a hierarchical manner, consisting of micron–sized bundles of nano-twins. The width of nano-twins stays almost constant as the extent of strain increases, but the width and number of the bundles increase with increasing strain. A systematic thermomechanical cycling study showed that the twins were stable at temperatures as high as 900°C, after the dislocations are annealed out. Using such cycles, volume fraction of the thermally stable deformation twins were increased up to 40% in 316 stainless steel. Using computational thermodynamics and kinetics calculations, we designed two generations of advanced austenitic stainless steels. In the first generation, Alloy 1, which had been proposed as an alumina-forming austenitic stainless steel, is fully austenitic, but possesses carbides that were not dissolvable and could not be controlled. This alloy also did not show deformation twinning. Alloy 2 was designed based on alloy 1, but was not fully austenitic and had significant traces of uncontrollable precipitates as well. Alloy 3, also designed based on alloy 1, was mainly austenitic with evolution of a second phase along the grain boundaries, but also had precipitates that were not controllable. Based on the knowledge gained from the first generation of the designed steels, two more steels, called PGAA1 and PGAA2, were proposed using genetic algorithms that, based on the modelling, were supposed to exhibit alumina-scale formation. PGAA1, however, did not demonstrate a fully austenitic structure. PGAA2 could achieve a mostly austenitic structure through thermo-mechanical processing, and was then used for oxidation tests. The oxidation tests of PGAA2, with and without nitrogen impurities, along with alloy 1, suggested that PGAA2 can form alumina-scale similar to alloy 1, but N impurity will prevent formation of such a scale, probably through formation of aluminum nitrides. For the above mentioned genetic algorithm framework of alloy design, separate models were developed for specific design criteria. For prediction of alumina formation in stainless steels, a model was constructed based off of two criteria – effective valence and third element effect. These criteria capture the thermodynamics and kinetics of alumina formation in steels. To test the efficacy and robustness of this model, they were tested against alloys in the literature which had been experimentally verified to exhibit alumina formation and the predictions were in excellent agreement with the experiments. Another meta-model for prediction of twinning in unknown steel compositions was developed by an informatics based machine learning/data mining approach. Stacking Fault Energy data was captured from the literature for a large number of steel compositions and then this data was used to build a classifier to predict deformation mechanisms. Here a training set-test set based analysis was performed to test performance. The above genetic algorithm based optimization framework for alloy design was exhibited to be a successful methodology for accelerated materials discovery in the context of alloy design.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Bridging soft-hard transport properties of quark-gluon plasmas with CUJET3.0

A new model (CUJET3.0) of jet quenching in nuclear collisions coupled to bulk data constrained (VISH2+1D) viscous hydrodynamic backgrounds is constructed by generalizing the perturbative QCD based (CUJET2.0) model to include two complementary non-perturbative chromodynamical features of the QCD con_nement cross-over phase transition near Tc ≈ 160 MeV: (1) the suppression of quark and gluon chromo-electric-charged (cec) degrees of freedom and (2) the emergence of chromo-magnetic-monopole (cmm) degrees of freedom. Such a semi Quark Gluon Monopole Plasma (sQGMP) microscopic scenario is tested by comparing predictions of the leading hadron nuclear modification factors, R AA h (pT > 10GeV=c;√s), and their azimuthal elliptic asymmetry v 2 h (pT > 10GeV=c;√s) with available data on h =π, D;B jet fragments from nuclear collisions at RHIC (√s = 0.2 ATeV) and LHC(√s = 2.76 ATeV). The cmm degrees of freedom in the sQGMP model near T c are shown to solve robustly the long standing R AA vs v 2 puzzle by predicting a maximum of the jet quenching parameter field g(E; T)/T 3 near T c . The robustness of CUJET3.0 model to a number of theoretical uncertainties is critically tested. Moreover the consistency of jet quenching with observed bulk perfect uidity is demonstrated by extrapolating the sQGMP qˆ down to thermal energy E ~ 3T scales and showing that the sQGMP shear viscosity to entropy density ratio η/s ≈ T 3 /qˆ falls close to the unitarity bound, 1/4π, in the range (1–2)Tc. Detailed comparisons of the CUJET2.0 and CUJET3.0 models reveal the fact that remarkably different qˆ(T) dependence could be consistent with the same R AA data and could only be distinguished by anisotropy observables. Furthermore, these findings demonstrate clearly the inadequacy of focusing on the jet path averaged quantity as the only relevant medium property to characterize jet quenching, and point to the crucial roles of other essential factors beyond just the , such as the chromo electric and magnetic composition of the plasma, the screening masses and the running couplings at multiple scales which all strongly influence jet energy loss.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Recalibration of missing low-frequency variability and trends in the North Atlantic Oscillation

Abstract Multi-decadal trends in the wintertime North Atlantic Oscillation (NAO) are under-represented by coupled general circulation models (CGCMs), consistent with a lack of autocorrelation in their NAO index series. This study proposes and tests two simple “reddening” approaches for correcting this problem in simulated indices based on simple one parameter short-term (AR; Auto-Regressive order 1) and long-term (FD; Fractional-Difference) time series filters. Using CGCMs from the Coupled Model Intercomparison Project Phase 6 (CMIP6), the FD filter successfully improves the autocorrelation structure of the NAO, and in turn the simulation of extreme trends, while the AR filter is less successful. The 1963–1993 NAO trend is the maximum 31-year trend in the historical period. Raw CGCMs underestimate the likelihood of this trend by a factor of ten but this discrepancy is corrected after reddening. CMIP6 future projections show that long-term (2024–2094) NAO ensemble mean trends systematically increase with the magnitude of radiative forcing: -2.4 to 3.5 hPa/century for low-to-high forcing after reddening (more than double the range using raw output). The related likelihood of future maximum 31year trends comparable to 1963–1993 ranges from 3 to 7% whereas none of these CMIP6 projections simulate this without reddening. Near-term projections of the next 31 years (2024–2054) are less sensitive than long term trends to the future scenario, showing weak-to-no forced trend. However, reddening increases the ensemble range by 74% (to +/-1 standard deviation/decade), which could increase/decrease regional climate change signals in the Northern Hemisphere by magnitudes that are underestimated when using raw CGCM output.

Meteorology & Atmospheric Sciences↗
DOE OSTI2018

Facile Synthesis of Spinel Ferrites with Enhanced Magnetic Properties from Two Intractable Metallurgical Resources: Zinc-Bearing Dust and Nickel Laterite Ore

Nickel laterite ore and zinc-bearing dust are multi-metal-associated and intractable resources. Comprehensive and cooperative utilization of zinc-bearing dust and nickel laterite ore for the preparation of spinel ferrites with enhanced magnetic properties by a facile process was proposed. The structure and magnetic properties of as-prepared spinel ferrites were characterized by X-ray diffraction (XRD), Raman spectroscopy, and Physical Property Measurement System (PPMS). The effect of mass ratios of zinc-bearing dust to nickel laterite ore, calcination temperature, and Zn substitution content on the as-prepared samples was investigated in detail. A single phase of Zn-substituted spinel ferrites (x= 0.00, 0.10, 0.20, and 0.30) could be obtained when the mass ratios were controlled at 1:0.4, 1:4:1.8, 1:2:1.5, and 1:1:1.2 after being calcined at 900 {sup ∘}C for 30 min, respectively. The magnetic property tests present that the as-prepared spinel ferrite exhibits enhanced magnetic properties with the saturation magnetization (Ms) value of 66.8 emu g{sup − 1} and the coercivity (Hc) value of 26 Oe when the mass ratio was controlled at 1:1:1.2. This research could provide an effective way to transfer two intractable resources into soft magnetic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

High-throughput screening and chemotype-enrichment analysis of ToxCast phase II chemicals evaluated for human sodium-iodide symporter (NIS) inhibition

In support of the Endocrine Disruptor Screening Program (EDSP), the U.S.EPA's Office of Research and Development (ORD) is developing high-throughput screening (HTS) approaches to identify chemicals that alter target sites in the thyroid hormone (TH) pathway. The sodium iodide symporter (NIS) is a transmembrane glycoprotein that mediates iodide uptake into the thyroid as the initial step of TH biosynthesis. Previously, we screened 293 ToxCast chemicals (ph1v2) using a HEK293T cell line expressing human NIS in parallel radioactive iodide uptake (RAIU) and cell viability assays to identify potential environmental NIS inhibitors. Here, we expanded NIS inhibitor screening for a set of 768 ToxCast Phase II (ph2) chemicals, and applied a novel computational toxicology approach based on the ToxPrint chemotype to identify chemical substructures associated with NIS inhibition. Following single-concentration screening (at 1 × 10 -4 M with a 20% inhibition cutoff), 235 samples (228 chemicals) were further tested in multipleconcentration (1 × 10 -9 - 1 × 10 -4 M) format in both RAIU and cell viability assays. The 167 chemicals that exhibited significant RAIU inhibition were then prioritized using combined RAIU and cell viability responses that were normalized relative to the known NIS inhibitor sodium perchlorate. Some of the highest ranked chemicals, such as PFOS, tributyltin chloride, and triclocarban, have been previously reported to be thyroid disruptors. In addition, several novel chemicals were identified as potent NIS inhibitors. The present results were combined with the previous ph1v2 screening results to produce two sets of binary hit-calls for 1028 unique chemicals, consisting of 273 positives exhibiting significant RAIU inhibition, and 63 positives following application of a cell viability filter. A ToxPrint chemotype-enrichment analysis identified > 20 distinct chemical substructural features, represented in > 60% of the active chemicals, as significantly enriched in each NIS inhibition hit-call space. A shared set of 9 chemotypes enriched in both hit-call sets indicates stable chemotype signals (insensitive to cytotoxicity filters) that can help guide structure-activity relationship (SAR) investigations and inform future research.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

The significant impact of cold deformation on structure-property relationship in phase reversion-induced stainless steels

Highlights: • Parts of metastable austenite transformed into strain-induced martensite in 18Cr-8Ni stainless steel during cold-rolled process. • The kinetics of reversion transformation from martensite to austenite was fastest in 90% cold-rolled sample during annealing treatment. • The austenite grain size for the 90% cold-rolled sample after annealing was smallest and most uniform, which induced highest yield strength and elongation combination. - Abstract: The present study aims to investigate the impact of cold deformation on structure-property relationship in phase reversion-induced stainless steels. The commercial 18Cr-8Ni stainless steel was cold rolled at room temperature to 30%, 60% and 90% thickness reduction, respectively and subsequently annealed at 900 °C for 1–100 min. Evolution of phases in selected samples was identified and quantified by X-ray diffraction together with the corresponding microstructural characterization through optical, scanning and transmission electron microscopy, and electron backscatter diffraction. Mechanical properties of selected samples were determined by the tensile test. The results indicated that parts of metastable austenite transformed into strain-induced martensite during cold rolling process, and the volume fraction of martensite increased with increase in cold rolling reduction. The kinetics of reversion transformation from martensite to austenite was fastest in 90% cold-rolled sample during annealing treatment. The austenite grain size for the 90% cold-rolled sample after annealing was smallest and most uniform, which induced highest yield strength and elongation combination.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Extending accurate spectral induced polarization measurements into the kHz range: modelling and removal of errors from interactions between the parasitic capacitive coupling and the sample holder

SUMMARY Spectral induced polarization (SIP), describing the measurement of the frequency domain electrical impedance magnitude and phase of porous materials, has been widely used to characterize subsurface hydrological/biogeochemical properties and processes. SIP data collected at frequencies higher than 100 Hz are expected to describe the polarization of small particles providing insights into the physicochemical properties of clays, nanoparticles and microorganisms. However, the phase measurements at these high frequencies are often contaminated by errors due to the parasitic capacitive coupling of the SIP instrument, especially for lower conductivity samples. We developed a model showing the measured phase is the sum of the true sample phase and an error term ωCinZx, where ω is the angular frequency; Cin is the instrument input capacitance and Zx is a measurable impedance function related to the sample holder properties and the reference resistor. Based on this model, a new phase correction method is proposed that results in highly accurate SIP data up to 20 kHz as well as the determination of Cin. We tested the correction method using electric circuits, NaCl fluids and three unconsolidated samples (sand, sand-clay and sand-pyrite mixtures). The corrected phase for the circuit and NaCl fluid experiments showed excellent agreement with the theoretical phase response across the studied frequency range (errors <1 mrad). For unconsolidated samples, removal of errors results in phase spectra more consistent with expected polarization mechanisms, as based on phase peaks recorded for small pyrite and clay particles at high frequencies. These phase peaks could not be identified in the uncorrected data. Our approach can substantially enhance the value of the SIP method for the characterization of fine-grained sediments and rocks.

58 GEOSCIENCES↗
DOE OSTI2015

Final Report for Project: Impacts of stratification and non-equilibrium winds and waves on hub-height winds

This project used a combination of turbulence-resolving large-eddy simulations, single-column modeling (where turbulence is parameterized), and currently available observations to improve, assess, and develop a parameterization of the impact of non-equilibrium wave states and stratification on the buoy-observed winds to establish reliable wind data at the turbine hub-height level. Analysis of turbulence-resolving simulations and observations illuminates the non-linear coupling between the atmosphere and the undulating sea surface. This analysis guides modification of existing boundary layer parameterizations to include wave influences for upward extrapolation of surface-based observations through the turbine layer. Our surface roughness modifications account for the interaction between stratification and the effects of swell’s amplitude and wavelength as well as swell’s relative motion with respect to the mean wind direction. The single-column version of the open source Weather and Research Forecasting (WRF) model (Skamarock et al., 2008) serves as our platform to test our proposed planetary boundary layer parameterization modifications that account for wave effects on marine atmospheric boundary layer flows. WRF has been widely adopted for wind resource analysis and forecasting. The single column version is particularly suitable to development, analysis, and testing of new boundary layer parameterizations. We utilize WRF’s single-column version to verify and validate our proposed modifications to the Mellor-Yamada-Nakanishi-Niino (MYNN) boundary layer parameterization (Nakanishi and Niino, 2004). We explore the implications of our modifications for two-way coupling between WRF and wave models (e.g.,Wavewatch III). The newly implemented parameterization accounting for marine atmospheric boundary layer-wave coupling is then tested in three-dimensional WRF simulations at grid sizes near 1 km. These simulations identify the behavior of simulated winds at the wind plant scale. Overall project conclusions include; In the presence of fast-moving swell (significant wave height Hs = 6.4 m, and phase speed cp = 18 ms -1 ), the atmospheric boundary layer grows more rapidly when waves propagate opposite to the winds compared to when winds and waves are aligned. Pressure drag increases by nearly a factor of 2 relative to the turbulent stress for the extreme case where waves propagate at 180° compared to the pressure gradient forcing. Net wind speed reduces by nearly 15% at hub-height for the 180°-case compared to the 0°-case, and turbulence intensities increase by nearly a factor of 2. These impacts diminish with decreasing wave age; Stratification increases hub height wind speeds and increases the vertical shear of the mean wind across the rotor plane. Fortuitously, this stability-induced enhanced shear does not influence turbulence intensity at hub height, but does increase (decrease) turbulence intensity below (above) hub height. Increased stability also increases the wave-induced pressure stress by ~ 10%; Off the East Coast of the United States during Coupled Boundary Layers Air-Sea Transfer - Low Wind (CBLAST-Low), cases with short fetch include thin stable boundary layers with depths of only a few tens of meters. In the coastal zone, the relationship between the mean wind and the surface fiction velocity (u*(V )) is significantly related to wind direction for weak winds but is not systematically related to the air sea difference of virtual potential temperature, δθv; since waves generally propagate from the south at the Air-Sea Interaction Tower (ASIT) tower, these results suggest that under weak wind conditions waves likely influence surface stress more than stratification does; and Winds and waves are frequently misaligned in the coastal zone. Stability conditions persist for long duration. Over a four year period, the Forschungsplattformen in Nord- und Ostsee Nr. 1 (FINO1) tower (a site with long fetch) primarily experienced weakly-unstable conditions, while stability at the ASIT tower (with a larger influence of offshore winds) experiences a mix of both unstable and stable conditions, where the summer months are predominantly stable. Wind-wave misalignment likely explains the large scatter in observed non-dimensional surface roughness under swell-dominated conditions. Andreas et al.’s (2012) relationship between u* and the 10-m wind speed under predicts the increased u* produced by wave-induced pressure drag produced by misaligned winds and waves. Incorporating wave-state (speed and direction) influences in parameterizations improves predictive skill. In a broad sense, these results suggest that one needs information on winds, temperature, and wave state to upscale buoy measurements to hub-height and across the rotor plane. Our parameterization of wave-state influences on surface drag has been submitted for inclusion in the next publicly available release. In combination, our project elucidates the impacts of two important physical processes (non-equilibrium wind/waves and stratification) on the atmosphere within which offshore turbines operate. This knowledge should help guide and inform manufacturers making critical decisions surrounding design criteria of future turbines to be deployed in the coastal zone. Reductions in annually averaged hub height wind speed error using our new wave-state-aware surface layer parameterization are relatively modest. However since wind turbine power production depends on the wind speed cubed, the error in estimated power production is close to 5%; which is significant and can substantially impact wind resource assessment and decision making with regards to the viability of particular location for a wind plant location. For a single 30-hour forecast, significant reductions in wind speed prediction errors can yield substantially improved wind power forecast skill, thereby mitigating costs and/or increasing revenue through improved; forecasting for maintenance operations and planning; day-ahead forecasting for power trading and resource allocation; and short-term forecasting for dispatch and grid balancing.

17 WIND ENERGY↗
DOE OSTI2024

OC6 project Phase IV: validation of numerical models for novel floating offshore wind support structures

Abstract. This paper provides a summary of the work done within Phase IV of the Offshore Code Comparison Collaboration, Continued with Correlation and unCertainty (OC6) project, under International Energy Agency Wind Technology Collaboration Programme Task 30. This phase focused on validating the loading on and motion of a novel floating offshore wind system. Numerical models of a 3.6 MW horizontal-axis wind turbine atop the TetraSpar floating support structure were compared using measurement data from a 1:43-Froude-scale test performed in the University of Maine's Alfond Wind–Wave (W2) Ocean Engineering Laboratory. Participants in the project ran a series of simulations, including system equilibrium, surge offsets, free-decay tests, wind-only conditions, wave-only conditions, and a combination of wind and wave conditions. Validation of the models was performed by comparing the aerodynamic loading, floating support structure motion, tower base loading, mooring line tensions, and keel line tensions. The results show a relatively good estimation of the aerodynamic loading and a reasonable estimation of the platform motion and tower base fore–aft bending moment. However, there is a significant dispersion in the dynamic loading for the upwind mooring line. Very good agreement was observed between most of the numerical models and the experiment for the keel line tensions.

17 WIND ENERGY↗
DOE OSTI2026

Affinity and Treatment of LDR Organics in Low Activity Waste by Cementitious Materials – 26109

The physiochemical interactions between organic contaminants, minerals, and polymer additives in grout/cementitious materials are being identified. This research supports a proposed Resource Conservation and Recovery Act (RCRA) treatment variance relevant to the Land Disposal Restriction (LDR) organics present in Hanford tank waste. It provides the technical basis to address the aspects documented by the Environmental Protection Agency in a draft memo necessary to establish that organics can be immobilized/stabilized in a cementitious matrix. The organic species may interact with cementitious minerals, including slag, fly ash, cement, and other components/dopants like activated carbon. A list of 132 reasonably expected LDR organics associated with Hanford tank waste (RPP-RPT-63493, Rev 1a) was screened by functional groups, octanol-water partitioning coefficients, and detection frequency in Hanford tank waste samples. A subset of 15 compounds spanning the identified properties was tested using sorption and leachate tests. These compounds were subjected to traditional batch sorption tests and leaching tests on/from Cast Stone cementitious material with and without activated carbon (a potential organic adsorption additive). The interactions between organic compounds were observed in traditional batch sorption and modified TCLP leachate tests for surrogate Cast Stone material with and without activated carbon addition. Specifically, phthalic acid (negatively charged) and 4-chloroaniline (polar) sorbed strongly to unmodified Cast Stone, while a group of three phenolic compounds (2,4,6-Trichlorophenol, Pentachlorophenol, o-Cresol) sorbed to and were retained by Cast Stone with a 1% activated carbon amendment. Mixtures of these compounds demonstrated visible retention of the organics within the matrix with a quantifiable affinity of the organics to the cement. This novel testing supports the notion that organics within Hanford tank waste would be retained onto the cement phase with the addition of simple materials easily added to the formulation as part of the treatment process. To further provide additional support to this claim, models employing Flory-Huggins theory in conjunction with macromolecular and organic molecule solubility parameters and species activity coefficients are being utilized to better understand these interactions. Within this context, Van Krevelen (VK) and Hansen organic and polymer solubility parameters were used to inform the Flory-Huggins interaction parameter, allowing for a quantifiable method of evaluating polymer-solvent compatibility and, by extension, interactions with proposed binding additives (e.g., activated carbon). These models and measurement should test the hypothesis for our systems understanding and applicability of Flory-Huggins theory, and whether the prediction of organics in the polymer phase versus the aqueous phase can be confidently made using this strategy. The estimation of the organic molecular activity coefficient in these high salt-saturated aqueous systems is another factor that will be assessed. This project aims to predict and understand complicated organic interactions in these heterogenous systems, guiding optimal treatment and stabilization methodologies.

Jolin, Will [Savannah River National Laboratory (S↗
DOE OSTI2019

Visibility of Hypovascularized Liver Tumors during Intra-Arterial Therapy Using Split-Bolus Single-Phase Cone Beam CT

Purpose: To validate a split-bolus contrast injection protocol for single-phase CBCT in terms of detectability of hypovascular liver tumors compared to digital subtraction angiography (DSA). Materials and Methods: In this retrospective, single-center study, 20 consecutive patients with in total 77 hypovascularized tumors referred for intra-arterial therapy received a split-bolus single-phase CBCT. Two readers rated the visibility of the target tumors scheduled for embolization in CBCT and DSA compared to the pre-interventional multiphasic CT or MRI used as reference on a 3-point scoring system (1 = optimal, 3 = not visible) and catheter-associated artifacts (1 = none, 3 = extended). SNR, CNR and contrast values were derived from 37 target tumors in CBCT and MRI. Statistical analysis included the kappa test to determine interrater reliability, the Friedman’s test for the inter-modality comparison evaluating tumor visibility in DSA and CBCT as well as for quantitative assessment. Post hoc analysis included the Wilcoxon signed-rank test. p values < 0.05 were considered significant. Results: Ninety percentage of target tumors were rated as visible in CBCT and 37.5% in DSA (p < 0.001). 70.1% of pre-interventionally detected hypovascularized tumors were depicted with CBCT and 31.2% by DSA (p < 0.001). 7.8% of known tumors were outside the FOV. Quantitative assessment showed higher image contrasts in CBCT (1.91 ± 7.01) compared to hepatobiliary-phase MRI (0.29 ± 0.14, p = 0.003) and to portal-venous (p.v.) MRI (0.31 ± 0.13, p < 0.001), but higher CNR for MRI (1.18 ± 0.80; 13.92 ± 15.82; 13.79 ± 6.65). Conclusion: In conclusion, the split-bolus single-phase CBCT detects significantly more hypovascularized liver tumors compared to DSA performed through the proper hepatic artery with high image contrasts. Level of Evidence: Level III, diagnostic study.

62 RADIOLOGY AND NUCLEAR MEDICINE↗