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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Selective Recovery of Critical Materials from Geothermal Fluid

This project, funded by the DOE Small Business Voucher program, assisted the partner with the development of ion-imprinted adsorbents for the selective extraction of rare earth elements (REE) from geothermal brines. This effort seeks to utilize a currently untapped resource thus diversifying the U. S. REE market. The initial stage of the program focused on the adsorbent developed by partner and optimization of the adsorbent. The adsorbent was based upon an ion imprinted ligand that was copolymerized with a crosslinker to generate the REE selectivity. During this task, the adsorbents were irradiated via electron beam at the NEO Beam Electron Beam Crosslinking Facility (Mercury Plastics, Middlefield, OH) to induce further crosslinking. The irradiation crosslinked adsorbents exhibited no difference in the Fourier transform infrared spectroscopic (FTIR) analysis suggesting inefficiency in the crosslinking. In the later stage of the effort, a new method was proposed and studied at ORNL involving a new partnership between the partner and a commercial polymer vender. This resulted in a new material being developed which allows the partner to utilize a commercial support and integrate the synthesis into a production-ready product stream. This will enhance the route to commercialization for the partner resulting in a quicker market penetration for the product. The new adsorbent exhibits selectivity for REE over transition metals commonly found within geothermal brines. Further optimization is required for enhanced selectivity, capacity, and intra-lanthanide separations.

58 GEOSCIENCES↗
DOE OSTI2018

Indirect Liquefaction of Coal-Biomass Mixture for Production of Jet Fuel with High Productivity and Selectivity

Coal to liquids (CTL) and coal-biomass to liquids (CBTL) processes were advanced by testing and demonstrating Southern Research’s sulfur tolerant nickel-based reforming catalyst and Chevron’s highly selective and active cobalt-zeolite hybrid Fischer-Tropsch (FT) catalyst to clean, upgrade and convert syngas predominantly to jet fuel range hydrocarbon liquids, thereby minimizing expensive cleanup and wax upgrading operations. The National Carbon Capture Center (NCCC) operated by Southern Company (SC) at Wilsonville, Alabama served as the host site for the gasifier slip-stream and simulated syngas testing/demonstration. Reformer testing was performed to (1) reform tar and light hydrocarbons, (2) decompose ammonia in the presence H2S, and (3) deliver the required H2 to CO ratio for FT synthesis. FT Testing was performed to produce a product primarily containing C5-C20 liquid hydrocarbons and no C21+ waxy hydrocarbons with productivity greater than 0.7 gC5+/g catalyst/h, and at least 70% diesel and jet fuel range (C8-C20) hydrocarbon selectivity in the liquid product. A novel heat-exchange reactor system was employed to enable the use of the highly active FT catalyst and larger diameter reactors that results in cost reduction for commercial systems. Following laboratory development and testing, SR’s laboratory reformer was modified to operate in a Class 1 Div. 2 environment, installed at NCCC, and successfully tested for 125 hours using raw syngas. The catalyst demonstrated near equilibrium reforming (~90%) of methane and complete reforming/decomposition of tar and ammonia in the presence of up to 380 ppm H2S. For FT synthesis, SR modified and utilized a bench scale skid mounted FT reactor system (SR-CBTL test rig) that was fully integrated with a slip stream from SC/NCCC’s transport gasifier (TRIG). The test-rig developed in a previous project (DE-FE0010231) was modified to receive up to 7.5 lb/h raw syngas augmented with bottled syngas to adjust the H2/CO molar ratio to 2, clean it to cobalt FT catalyst specifications, and produce liquid FT products at the design capacity of up to 6 L/day. Promising Chevron catalyst candidates in the size range from 70-200 μm were loaded onto SR’s 2-inch ID and 4-inch ID bench-scale reactors utilizing IntraMicron’s micro-fiber entrapped catalyst (MFEC) heat exchange reactor technology. During 2 test campaigns, the FT reactors were successfully demonstrated at NCCC using syngas for ~420 hours. The catalyst did not experience deactivation during the tests. SR’s thermo-syphon heat removal system maintained reactor operating temperature along the axis to within ±4 °C. The experiments gave a steady catalyst productivity of 0.7-0.8 g/g catalyst/h, liquid hydrocarbon selectivity of ~75%, and diesel and jet fuel range hydrocarbon selectivity in the liquid product as high as 85% depending on process conditions. A preliminary techno-economic evaluation showed that the SR technology-based 50,000 bpd plant had a 10 % lower total plant cost compared to a conventional slurry reactor based plant. Furthermore, because of the modular nature of the SR technology, it was shown that the total plant cost advantage increases to >35 % as the plant is scaled down to 1000 bpd.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2019

Selective Recognition of Heavy Elements by Protein-Based Reagents

Our goal was to engineer protein-based constructs that can selectively bind heavy elements in aqueous solutions. Small molecule-based reagents that bind actinides tightly in aqueous solutions have been investigated in the past several decades. The analogous approach, utilizing protein-based reagents, has been lacking before our work. The use of protein frameworks can offer several noticeable advantages: 1) Metal-binding selectivity could be significantly enhanced with protein scaffolds that are capable of preorganizing the metal-binding pocket; 2) Molecular biology can be readily applied to modify the metal-binding sites in proteins in order to systematically fine-tune metal affinity and selectivity; 3) Methods of modern directed evolution allow the production of millions of protein members from which desired functions can be screened and selected.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Study Towards an Event Selection for Neutral Current Inclusive Single $π^0$ Production in MicroBooNE

This note describes a Monte Carlo study towards an event selection for the neutrino induced Neutral Current (NC) single $π^0$ cross section using the MicroBooNE detector. The NC single $π^0$ channel is especially important in neutrino oscillation experiments as it is one of the main backgrounds in any $ν_e$ or $\bar{ν}_e$ appearance search. This channel topology has been infrequently measured and the cumulative world data set is limited. The event selection is intended to be entirely based on a fully automated selection process. This note will emphasize the methods used toward selecting the signal topology

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Selection and kinematic properties of ν μ charged-current inclusive events in 5 x 10 19 POT of MicroBooNE data

This note describes a first selection of ν μ charged-current inclusive events in the MicroBooNE detector. MicroBooNE is a 170 ton liquid-argon time projection chamber, located at surface level in the Booster Neutrino Beam at Fermilab. The detector is therefore continuously exposed to cosmic rays, which outnumber the observed neutrino interactions by almost three orders of magnitude. Hence, the selection of neutrino interactions within the cosmic background is the first step towards any neutrino physics analysis in MicroBooNE. This note describes two approaches, which successfully select ν μ charged-current events in a fully automated way. It also outlines further necessary steps to improve the detector understanding and reconstruction, increase the selection efficiency and address systematic uncertainties, before the first neutrino-argon cross sections can be derived.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Automated Selection of Electron Neutrinos from the NuMI beam in the MicroBooNE Detector and Prospects for a Measurement of the Charged-Current Inclusive Cross Section

We present a fully automated selection of NuMI beam produced electron neutrinos interacting in the MicroBooNE liquid argon time projection chamber operating at Fermilab. This analysis makes use of the Pandora reconstruction framework and subsequently a selection method developed specifically to select $ν_e$ and $\barν_e$ in data. The selection also utilizes one of liquid argon’s signature capabilities, distinguishing electron-like and photon-like electromagnetic showers using dE/dx in data, as well as scintillation light-based timing. The studies presented here demonstrate a closure test of calculating the inclusive cross using Monte Carlo, where the input Monte Carlo cross section matches the extracted Monte Carlo cross section. From this we forecast the prospects of a future $ν_e$ + $\barν_e$ cross section with MicroBooNE data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

USDOE ART Graphite – Selection and Acquisition Strategy

The previous Selection and Acquisition Strategy document dates from 2007. Since then, significant changes have occurred with reactor vendors and with the graphite manufacturers. There have also been changes in the membership of the Gen IV International Forum. These factors were considered when formulating a revised selection and selection strategy. In summary, the new graphite selection and acquisition plan is that no graphite billets will be purchased until there is new graphite production (NBG-18, PCEA). Existing supplies of NBG-17, NBG-18, PCEA, IG-110, 2114 are considered enough for future work.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Ambient Ion Trapping and Separations for High Throughput Structurally Selective Material Deposition

While ion mobility coupled to mass spectrometry (IMS/MS) has been increasingly adapted to biological analysis, the structural and molecular specificity offered by IMS/MS has untapped potential for creating novel materials (for energy, catalysis, biomolecular switches etc.) with rationally tailored properties by precisely controlling the chemical structure and composition of these materials. While electrochemical and catalytic properties of the bulk material are understood by mass-selective ion-soft-landing, different structures of one molecule can exhibit distinct properties from the bulk. Many biological phenomenon occur at interfaces and are highly structurally specific. IMS/MS offers means to separate molecules in a sample (which is first ionized and released to gas phase from the condensed phase) based on mass and structure. Species thus separated can potentially be deposited onto surfaces with molecular and structural specificity, to perform fundamental investigations for understanding critical interfacial phenomenon. Key performance metrics for IMS/MS analysis are resolution of separations and sensitivity. Recently developed Structures for Lossless Ion Manipulations (SLIM)4 enabled unprecedented resolution in IMS separations. In addition, high sensitivity was enabled in SLIM due to lossless confinement of ions using radio frequency fields. Thus, SLIM enabled extremely long path length separations (up to 0.1 km thus far) providing efficient separation of molecular ions never before achieved (e.g. isotopologues, D&L amino acids). While SLIM has unprecedented analytical separations power/utility, the use of SLIM platform for depositing mobility and mass selected molecular ions has two specific technological challenges: (a) Pulsed nature of IMS separations and their low duty cycle and (b) the need for a low vacuum of ~4 torr for lossless ion confinement. These limitations lead to long deposition times due to loss of ions generated from the sample. Enabling ion confinement at atmospheric pressure will be path-breaking contribution to the fundamental understanding of ion manipulations and separations and will also enable novel science currently precluded due to the inability of the present technologies to confine ions under ambient conditions. Traditionally used radio frequency fields are ineffective in confining ions at high pressures due to ion/neutral collisions. To address these, we propose to (a) develop methods for confining and manipulating ions for lossless IMS separations at atmospheric pressure enabling high sensitivity and throughput and (b) use the high specificity of IMS/MS and high throughput from ambient ion confinement to perform mobility and mass selective ion deposition at atmospheric pressure. Our goal is to enable the study of the fundamental properties of energy/catalysis materials and biomolecules. This project paves the way for high-throughput, mass and structure selective material deposition for highly specific surface creation/functionalization (discussed in Section 2 of the report). Further, the developments reported continue to push the boundaries of this process to ambient conditions (discussed in Section 3 of the report). We conclude with a list of specific intellectual property and publications which have been the outcome of this funded project.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Chemistry of Titanium Deposition Precursors for Area-Selective Deposition of Functionalized Silicon [Posters]

Area-selective atomic layer deposition (AS-ALD) is an appealing bottom-up fabrication technique that can produce atomic-scale device features, overcoming challenges in current industrial techniques such as edge alignment errors. TiCI 4 is a common thermal ALD precursor for Ti0 2 thin films, which are appealing candidates for DRAM capacitors due to their excellent dielectric constants. Hydrogen and chlorine termination passivate the Si surface, allowing for selective deposition of TiCI 4 onto HO-terminated areas. However, selectivity loss occurs after several ALD cycles. Ti oxide nucleates onto surface defects on Cl- and H-Si resists. Previously, the use of H-Si as an ALD resist has been studied extensively, but less work has focused on chemical forces driving nucleation, especially for Cl-Si. Here, formation of defect nuclei was investigated with selectivity loss during Ti0 2 ALD with TiCI 4 and water on the (100) and (111) crystal surfaces of hydrogenated, chlorinated, and oxidized Si.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Implementation of a feature selection algorithm in FARM to identify important state variables and time-invariant matrices

The FARM (Feasible Actuator Range Modifier) software module is a component of the RAVEN-based FORCE framework for analysis of Integrated Energy Systems (IES). FARM aids the HERON software module in the evaluation of the optimal dispatch for the different IES components. Set-point trajectories are required to meet limits on both production variables (i.e., the variables to be optimized such as the electrical power, the hydrogen production rate, etc.) and process variables tied to the service life of equipment (e.g., steam flowrate, vessel pressure, turbine firing temperature, etc.). To evaluate the feasibility of HERON generated set-points and to do so in an acceptable time, FARM employs reduced order models to represent the dynamic behavior of the systems to be dispatched. These surrogate models take the form of a linear dynamic system with sets of Linear Parameter Varying (LPV) matrices that are mapped to the system operating space. These matrices are derived from the trajectories of system state variables and system output variables during transients. The accuracy of LPV matrices depends on the selection of state variables. In previous reports, state variables were selected by adopting a complicated workflow requiring multiple software licenses and an advanced level of user expertise. In this report, a new workflow that automates the state variable selection process is presented. It significantly reduces the frequency of user interventions and does not require multiple software licenses. Each module in the new workflow is described in detail, and the input / output examples in each step of the workflow are provided. It was demonstrated that this workflow can greatly reduce the complexity of the state variable selection process, and that the updated FARM-Gamma and FARM-Delta validators can benefit from this workflow when solving the power dispatch problem of a representative IES test case. Finally, some code improvements that can further enhance the efficiency are suggested.

42 ENGINEERING↗
DOE OSTI2021

Architecture and Component Selection for the Remote Canister-Monitoring System

This report documents the selected system architecture and components surveyed for the development of a remote, canister-monitoring system (RCMS) for determining and monitoring environmental conditions within dry fuel storage canisters containing aluminum-clad spent nuclear fuel (ASNF) at Idaho National Laboratory (INL). These efforts are in support of the Department of Energy Office of Environmental Management (DOE-EM) investigations into the technical issues associated with extended dry storage (50+ years) of ASNF. It is important to resolve questions regarding storage because the ATR is expected to continue producing approximately 100 elements of spent fuel per year for at least another twenty years. The parameters to be monitored by the RCMS include temperature, relative humidity, hydrogen gas concentration, and radiation environment (dose). Components are selected based on the expected environmental conditions within the canister and fuel storage area and the desired performance of the RCMS. Several of these components have been purchased and are currently undergoing component testing to confirm their suitability for use in delivering the RCMS. Additional components may be identified through the course of design and may be selected in the future. Furthermore, changing performance, interfacing, and compatibility requirements and the results of component testing may necessitate revisiting component selection.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Status of the MicroBooNE Inclusive Single Photon Selection Using Wire-Cell Reconstruction

MicroBooNE is a Liquid Argon Time Project Chamber (LArTPC) detector whose primary design goal is to understand the “low-energy-excess” anomaly seen by MiniBooNE. MicroBooNE’s currently published results see no excess consistent with the MiniBooNE observation, therefore creating a need for searches in more channels. This note summarizes MicroBooNE’s inclusive single photon selection using Wire-Cell reconstruction and pattern recognition, which will be used to search for a low-energy-excess (LEE) anomaly in the inclusive single photon channel. The selection is similar to the Wire-Cell inclusive electron neutrino selection, but with a different signal definition and some modifications and additions to the pattern recognition tools. A selection with 15.2% efficiency and 18.5% purity is achieved for simulated Standard Model single photon events.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Status of the MicroBooNE inclusive single photon selection using Wire-Cell reconstruction

MicroBooNE is a Liquid Argon Time Project Chamber (LArTPC) detector whose primary design goal is to understand the “low-energy-excess” anomaly seen by MiniBooNE. MicroBooNE’s currently published results see no excess consistent with the MiniBooNE observation, therefore creating a need for searches in more channels. This note summarizes MicroBooNE’s inclusive single photon selection using Wire-Cell reconstruction and pattern recognition, which will be used to search for a low-energy-excess (LEE) anomaly in the inclusive single photon channel. The selection is similar to the Wire-Cell inclusive electron neutrino selection, but with a different signal definition and some modifications and additions to the pattern recognition tools. A selection with 15.2% efficiency and 18.5% purity is achieved for simulated Standard Model single photon events.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Preliminary Feasibility of Printing, Microstructure Analysis and Mechanical Performance of a Down Selected Ni Alloy

This report is submitted as completion of a Milestone 3 deliverable under work package ORNL CT-23OR1304051 in support of the Advanced Materials and Manufacturing Technologies (AMMT) program. The AMMT program is aiming at the faster incorporation of new materials and manufacturing technologies into complex nuclear-related systems. An integrated approach, combining advanced characterization, high-throughput and accelerated testing, modeling and simulation including machine learning and artificial intelligence will be employed. While 316H (Fe-16-18Cr-10-14Ni-2-3Mo-0.04-0.1C) has been identified as a key alloy to be integrated into the AMMT accelerated alloy qualification approach due its relevance for many current and future nuclear energy reactors, many other alloys could be considered for the advanced fabrication of innovate high-performance nuclear components. ANL, INL, ORNL and PNNL are collaborating on identifying the most promising alloy candidates relevant for the AMMT program. A selection criteria matrix was established to evaluate the alloys considering their relative importance and technological readiness levels for nuclear energy applications, with a focus on laser powder bed fusion (LPBF). Due to the broad range of potential candidate alloys, ORNL and INL focused on Ni-based alloys, while ANL and PNNL mainly evaluated Fe-based alloys. PNNL previously published materials scorecards reports on several key alloys and this report is providing a broader overview of Ni-based candidate alloys, expending beyond alloys well-known to the nuclear community. Of particular interest are alloys that are currently commercially available in powder form due to the growing demand from other industries that have invested heavily in additive manufacturing. Among these alloys, Haynes 282 (Fe-20Cr-20Co-8Mo) was selected due to its superior strength at high temperature compared to the code-qualified alloy 617 (Ni-20-24Cr-10-15Co-8-10Mo). To assess the integration of this new alloy into the AMMT digital manufacturing framework, we performed the rapid optimization of alloy 282 printing parameters on a Renishaw 250 machine, the fabrication of sufficient materials for extensive characterization and mechanical testing both at ORNL and INL, and added the printing data into the digital platform via the Peregrine software. A detailed analysis of the LPBF 718 alloy was also conducted, with creep specimens being tested at 600-650°C and characterized by advanced electron microscopy. The alloy superior mechanical strength and great printability associated with the extensive database that has already been generated highlight the promising potential of LPBF 718 as a candidate alloy for the AMMT program. INL, ANL and PNNL have generated similar reports and all the information will be compiled into a final M2 milestone report to provide the AMMT leadership team with clear recommendations on the down selection of reactor materials, as well as establish a roadmap for the qualification of these selected alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Lessons Learned from Site Selection Efforts for Deep Geological Disposal

This report discusses international experiences from site selection of deep geological repositories (DGR) for radioactive waste disposal. Based on experiences from three countries with recent or ongoing site selections, the report describes different site selection approaches and summarizes lessons learned. The German and Swiss programs are two slightly different examples of one end of the spectrum of potential siting approaches: Starting with the entire country, a technically based downselection is performed to select the repository site. The Canadian program is an example of the other end of the spectrum: Here, the program started with an extensive engagement program with Canadians to collaboratively develop a socially acceptable and technically sound national approach for the long-term management of used nuclear fuel. This was followed by the launch of a collaboratively developed consent-based siting process designed to seek an informed and willing host with suitable sites, considering both technical and community well-being site requirements.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Final Report for Electro-oxidative valorization of biomass: design strategies for selective and stable catalysis

This project aimed to develop a fundamental understanding of the factors that dictate activity and selectivity during electrochemical partial oxidation of multi-carbon organic molecules derived from biomass. Value-adding selective conversions of alcohols to aldehydes, and aldehydes to carboxylic acids were considered, with the ultimate goal to establish general principles for controlling selectivity in organic oxidations. Specific aims involved the use of furfural (FF) and 5-hydoxymethyfurfural (HMF) as model systems and seek to develop knowledge for control of mechanisms that permit selective conversions between oxygenate functional groups with prevention or control of C-C cleavage steps. Another major focus of the work was in achieving these transformations in acidic conditions, which contrasts most existing work (done in base), but is crucial toward compatibility with common pretreatments used to generate small molecules from lignocellulose (e.g. acid hydrolysis or pyrolysis). The work involved well-defined catalyst material synthesis, comparative kinetics, and operando spectroscopies (PI Holewinski), supported by quantum chemical simulations (PI Janik), enabling progress toward efficient, acid-stable oxidation catalysis for biomass upgrading.

Holewinski, Adam [University of Colorado Boulder] ↗
DOE OSTI2015

Selective Laser Ablation in Resists and Block Copolymers for High Resolution Lithographic Patterning

Previously, we demonstrated an all dry, selective laser ablation development in methyl acetoxy calixarene (MAC6) which produced high resolution (15-25 nm half-pitch), high aspect ratio features not achievable with wet development. In this paper, we investigate the selective laser ablation process as a means to create a block copolymer derived lithographic pattern through the selective removal of one block. Two block copolymer systems were investigated PS-b-PHOST, and P2VP-b-PS-b-P2VP. The selective laser ablations process on block copolymers offers an alternative to plasma etching when plasma etching is not effective.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Rational Design of Lanmodulin Variants for Size-Based Selectivity of Individual Rare Earth Elements

Rare earth elements (REEs) are essential to modern technologies, yet their high physical and chemical similarity makes separation of individual REEs difficult and environmentally taxing. Metalloproteins offer a promising alternative for selective REE binding, as they tend to have high metal ion affinity and specificity. Lanmodulin (LanM), in particular, has arisen as a potential candidate for REE separation as it exhibits picomolar affinity for elements in the REE family. Prior work has shown that the single point mutation D9N can shift LanM’s preference away from lanthanides toward actinides, motivating efforts to tune selectivity of LanM through targeted mutagenesis. Here, we tested the hypothesis that introducing selective aspartic acid to glutamic acid substitutions in the metal coordinating EF hands of LanM would impose steric constraints that would drive LanM affinity away from larger ions, such as La3+, to smaller ions, such as Y3+. To test this hypothesis, a combination of computational and experimental approaches were employed to evaluate the signal mutations LanM D5E and LanM D3E and the double mutants LanM D1ED5E and LanM D3ED9E. Surprisingly, increasing the number of mutations within the metal center did not enhance affinity for smaller REEs, or decrease affinity for larger ions. Only the single point mutation LanM D5E weakened La3+ binding by one order of magnitude relative to LanM wild type (WT), and pairing it with a second mutation to produce LanM D1ED5E drove La3+ affinity to be stronger than that seen for LanM WT. The D3E mutation alone prevented proper expression and folding, but paring it with D9E to produce LanM D3ED9E rescued expression and yielded La3+ affinities comparable to LanM WT. All variants that expressed (LanM D5E, LanM D1ED5E, LanM D3ED9E) displayed Y3+ affinities comparable to LanM WT. Overall, these results highlight the tunability of LanM’s metal-binding environment but also expose current limitations in predicting structural responses to point mutations within a protein sequence. This work establishes a foundation that can be used for refining computational and experimental strategies to engineer metalloproteins with tailored REE selectivity.

Close, Emily [Pacific Northwest National Laborator↗