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Results for “solution processing”

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.

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At least 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Laves phase in alloy 718 fusion zone — microscopic and calorimetric studies

Microstructural characterization of alloy 718 fusion zone welded with both solid solution and age hardenable filler metal has been done. The microsegregation and the aging response were studied by employing three levels of weld cooling rate. Gas Tungsten Arc welding process was used. The fusion zone of solid solution filler metal has been responding to the aging treatment due to the weld process conditions and weld metal chemistry. However the weld metal composition was modified due to the higher molybdenum (Mo) content in solid solution filler metal. The effect of this modification on the phase reaction temperatures was studied and the same was compared with the conventional filler metal. - Graphical abstract: Display Omitted - Highlights: • Interdendritic segregation has been controlled by weld cooling rate. • Laves phase formation has been studied with cooling rate and weld metal chemistry. • Aging response with solid solution filler metal has been demonstrated. • Reduction in Laves phase and alloying element segregation has been confirmed. • Reaction temperatures were found modified because of Mo addition.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Modeling and simulation of offshore wind farm O&M processes

This paper describes a holistic approach to operation and maintenance (O&M) processes in the domain of offshore wind farm power generation. The acquisition and process visualization is followed by a risk analysis of all relevant processes. Hereafter, a tool was designed, which is able to model the defined processes in a BPMN 2.0 notation, as well as connect and simulate them. Furthermore, the notation was enriched with new elements, representing other relevant factors that were, to date, only displayable with much higher effort. In that regard a variety of more complex situations were integrated, such as for example new process interactions depending on different weather influences, in which case a stochastic weather generator was combined with the business simulation or other wind farm aspects important to the smooth running of the offshore wind farms. In addition, the choices for different methodologies, such as the simulation framework or the business process notation will be presented and elaborated depending on the impact they had on the development of the approach and the software solution. - Highlights: • Analysis of operation and maintenance processes of offshore wind farms • Process modeling with BPMN 2.0 • Domain-specific simulation tool.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Modeling bicarbonate formation in an alkaline solution with multi-level quantum mechanics/molecular dynamics simulations

Understanding carbonate speciation and how it may be modulated is essential for the advancement of carbon dioxide (CO 2 ) capture and storage technologies, which often rely on the transformation of CO 2 into carbonate, e.g. via the formation of carbonate minerals. To date, few atomic-level, quantum-mechanics-based simulations have been carried out to characterize how carbonic acid (H 2 CO 3 ) and bicarbonate ($HCO^{-}_{3}$) form in aqueous solution, and how pH affects this process. Recently, Martirez and Carter utilized rare-event sampling density functional theory molecular dynamics simulations in combination with multi-level embedded correlated wavefunction theory, thus accounting for both solvent dynamics and electron correlation accurately, to elucidate the mechanism of H 2 CO 3 formation in neutral solution (J. Am. Chem. Soc., 145, 12561, 2023). Here, we perform a complementary simulation using the same method to map out the energetics of $HCO^{-}_{3}$ formation from dissolved CO 2 in basic solution. We find that, as in H 2 CO 3 formation, including water dynamics is important to obtain an accurate prediction of the energetics for the aforementioned reaction. Furthermore, only with MD did we identify the correct pathway for the reaction, in which water – not hydroxide – acts as the initial nucleophile and only at the transition state does it lose a proton.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Real Space and Time Imaging of Collective Headgroup Dipole Motions in Zwitterionic Lipid Bilayers

Lipid bilayers are supramolecular structures responsible for a range of processes, such as transmembrane transport of ions and solutes, and sorting and replication of genetic materials, to name just a few. Some of these processes are transient and currently, cannot be visualized in real space and time. Here, we developed an approach using 1D, 2D, and 3D Van Hove correlation functions to image collective headgroup dipole motions in zwitterionic phospholipid bilayers. We show that both 2D and 3D spatiotemporal images of headgroup dipoles are consistent with commonly understood dynamic features of fluids. However, analysis of the 1D Van Hove function reveals lateral transient and re-emergent collective dynamics of the headgroup dipoles—occurring at picosecond time scales—that transmit and dissipate heat at longer times, due to relaxation processes. At the same time, the headgroup dipoles also generate membrane surface undulations due a collective tilting of the headgroup dipoles. A continuous intensity band of headgroup dipole spatiotemporal correlations—at nanometer length and nanosecond time scales—indicates that dipoles undergo stretching and squeezing elastic deformations. Importantly, the above mentioned intrinsic headgroup dipole motions can be externally stimulated at GHz-frequency scale, enhancing their flexoelectric and piezoelectric capabilities (i.e., increased conversion efficiency of mechanical energy into electric energy). In conclusion, we discuss how lipid membranes can provide molecular-level insights about biological learning and memory, and as platforms for the development of the next generation of neuromorphic computers.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

One-step solution combustion synthesis of pure Ni nanopowders with enhanced coercivity: The fuel effect

In this paper, we report a new modified one-step combustion synthesis technique for production of Ni metal nanoparticles. The main unique feature of our approach is the use of microwave assisted foam preparation. Also, the effect of different types of fuels (urea, citric acid, glycine and hexamethylenetetramine) on the combustion process and characteristics of resultant solid products were investigated. It is observed that the combination of microwave assisted foam preparation and using of hexamethylenetetramine as a fuel allows producing pure ferromagnetic Ni metal nanoparticles with enhanced coercivity (78 Oe) and high value of saturation magnetization (52 emu/g) by one-step solution combustion synthesis under normal air atmosphere without any post-reduction processing. - Highlights: • The new approach in one-step SCS rote for Ni nanoparticles preparation is proposed. • Ni particles were synthesized with microwave-assistance and under air atmosphere. • The effect of different type of fuels on the combustion process was investigated. • Using of hexamethylenetetramine allows obtaining pure Ni nanoparticles. • Ni nanoparticles have enhanced coercivity and high saturation magnetization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Review of Potential–Induced Degradation in Bifacial Photovoltaic Modules

Bifacial modules are increasingly deployed in the field and are expected to represent half of the market share within 10 years. Their rear structure differs from monofacial modules to allow additional light absorption. However, it brings new reliability challenges to address. In particular, the risk of potential-induced degradation (PID) is increased as both module sides are impacted. Different PID processes have been identified in the literature: shunting type (PID-s), polarization type (PID-p), Na penetration type, and corrosion type (PID-c). Their occurrence depends on the photovoltaic system configuration as well as the module's materials. Apart from PID-s, PID processes are not well understood and extensive research is needed to elucidate the PID scenario and underlying mechanisms. Herein, current knowledge about PID processes and their impact on the main bifacial modules in the market are gathered with the aim to guide future research. Bifacial module technologies and leakage current paths leading to PID are described. Indoor and outdoor PID testing methods are detailed. For each bifacial module technology, the PID processes are investigated with their indicators, mechanism and recovery process. Furthermore, PID-impacting factors and limitation solutions are finally reported and a state of the art on PID modeling is presented.

14 SOLAR ENERGY↗
DOE OSTI2020

An extended trajectory-mechanics approach for calculating two-phase flow paths

A technique originating in quantum dynamics is used to derive a trajectory-based, semi-analytical solution for two-phase flow. The partial differential equation governing the evolution of the aqueous phase is equivalent to a family of ordinary differential equations defined along a path through the porous medium. The trajectories may be found by solving the differential equations directly or by post-processing the output of a numerical solution to the full set of governing equations. The trajectories, which differ from conventional streamlines, are found to bend downward in response to gravitational forces. The curvature is more pronounced as the dip of the porous layer containing the flow increases. Subtle changes in the relative permeability curve can lead to significant variations in the trajectories. The ordinary differential equation for the trajectory provides an expression for the travel time along the path. The expression produces a semi-analytical approximation to the model parameter sensitivities, the partial derivatives of the travel times with respect to changes in the permeability model. The semi-analytical trajectory-based sensitivities generally agree with those computed using a numerical reservoir simulator and a perturbation approach. The sensitivities are useful in tomographic imaging algorithms designed to estimate the spatial variation in permeability within a porous medium using multiphase observations.

58 GEOSCIENCES↗
DOE OSTI2020

Qualification of Processing Batches for Tank Closure Cesium Removal Through In-Tank Batch Contact Testing - 20470

The Tank Closure Cesium Removal (TCCR) process at the Savannah River Site (SRS) is currently processing waste from Tank 10H, generating decontaminated salt solution that is sent to Tank 11H. Transfers out of Tank 11H are then disposed of on site as a grout wasteform in the SRS Saltstone Processing Facility. This is a full-scale demonstration of the use of Crystalline Silicotitanate (CST) for the decontamination of aqueous nuclear waste supernate. CST primarily removes cesium from the high sodium alkaline feed, but also adsorbs strontium, actinides, and some other trace metals. The TCCR unit is an at-tank set of four ion exchange columns, with two typically being operated in series during waste processing. Tank 10H is serving a dual function as both the salt dissolution tank as well as the feed tank for the TCCR system. Prior to operation of TCCR, Tank 10H must undergo dissolution campaigns, dissolving the salt cake to form an aqueous salt solution (supernate). After each dissolution campaign, the supernate created must be qualified prior to processing through the TCCR system. Qualification includes detailed characterization of the supernate as well as in-tank batch contact tests to determine the equilibrium loading of Cs-137 on the CST ion exchange media (IONSIV{sup TM} R9120-Ba). In support of the in-tank batch contact testing, Savannah River National Laboratory (SRNL) developed a CST sample holder, also referred to as a 'tea-bag', to hold a measured amount (∼0.1 grams) of pretreated CST between stainless steel screens. The tea-bag fits within a standard stainless steel sample vial that has been modified to allow the flow of supernate to the CST. This sample holder is then immersed in the waste tank allowing free contact between the CST beads and the surrounding liquid, at an effectively infinite liquid-to-solid phase ratio. A pair of tea-bags are deployed in the tank for a period of 10 days for each batch, after which the CST is recovered, digested, and analyzed to determine the loading of cesium isotopes on the CST. This result then supports the TCCR column thermal loading limits for processing as part of the TCCR safety basis. This paper will discuss the design and testing of the CST sample holder, as well as results from the first few batches of waste qualified and subsequently processed through the TCCR system. In addition, results from analyses of Tank 11H samples, showing decontamination of the product will be included. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Surface Functionalized Nanostructured Ceramic Sorbents for the Effective Collection and Recovery of Uranium from Seawater

The ability to collect uranium from seawater offers the potential for a nearly limitless fuel supply for nuclear energy. We evaluated the use of functionalized nanostructured sorbents for the collection and recovery of uranium from seawater. Extraction of trace minerals from seawater and brines is challenging due to the high ionic strength of seawater, low mineral concentrations, and fouling of surfaces over time. We demonstrate that rationally assembled sorbent materials that integrate high affinity surface chemistry and high surface area nanostructures into an application relevant micro/macro structure enables collection performance that far exceeds typical sorbent materials. High surface area nanostructured silica with surface chemistries composed of phosphonic acid, phosphonates, 3,4 hydroxypyridinone, and EDTA showed superior performance for uranium collection. A few phosphorous-based commercial resins, specifically Diphonix and Ln Resin, also performed well. We demonstrate an effective and environmentally benign method of stripping the uranium from the high affinity sorbents using inexpensive nontoxic carbonate solutions. The cyclic use of preferred sorbents and acidic reconditioning of materials was shown to improve performance. Composite thin films composed of the nanostructured sorbents and a porous polymer binder are shown to have excellent kinetics and good capacity while providing an effective processing configuration for trace mineral recovery from solutions. Initial work using the composite thin films shows significant improvements in processing capacity over the previously reported sorbent materials.

green mining↗
DOE OSTI2024

Dose Consequence and Probabilistic Risk Assessment Integration into Digital Documented Safety Analysis

This is an intern poster presentation. The current reactor authorization process is complex and error prone. The development of a digital Documented Safety Analysis has been proposed to provide an automated and integrated solution to enhance the design and authorization process. The digital DSA will consist of interlinked models, analyses, and reports, all of which will be updated using automated workflows when design changes are made. This poster examines the integration of the probabilistic risk assessment (PRA) with the transient and dose consequence analyses. A PRA for a generic high temperature gas-cooled reactor (HTGR) has been constructed which will drive the input parameters for a transient analysis model currently being constructed. Dose consequence will be determined using the results of the transient analysis and the Radiation Safety Analysis Computer (RSAC) code. Dose consequence data will then be input back into the PRA to drive design parameters.

42 ENGINEERING↗
DOE OSTI2016

An effective approach to synthesize monolayer tungsten disulphide crystals using tungsten halide precursor

The synthesis of large-area monolayer tungsten disulphide (WS{sub 2}) single crystal is critical for realistic application in electronic and optical devices. Here, we demonstrate an effective approach to synthesize monolayer WS{sub 2} crystals using tungsten hexachloride (WCl{sub 6}) as a solid precursor in atmospheric chemical vapor deposition process. In this technique, 0.05M solution of WCl{sub 6} in ethanol was drop-casted on SiO{sub 2}/Si substrate to create an even distribution of the precursor, which was reduced and sulfurized at 750 °C in Ar atmosphere. We observed growth of triangular, star-shaped, as well as dendritic WS{sub 2} crystals on the substrate. The crystal geometry evolves with the shape and size of the nuclei as observed from the dendritic structures. These results show that controlling the initial nucleation and growth process, large WS{sub 2} single crystalline monolayer can be grown using the WCl{sub 6} precursor. Our finding shows an easier and effective approach to grow WS{sub 2} monolayer using tungsten halide solution-casting, rather than evaporating the precursor for gas phase reaction.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Crystal growth and nucleation at metal-organic framework / solution interfaces

Metal-organic frameworks (MOFs) represent an incredibly diverse class of materials with equally diverse applications in catalysis, separations, and gas storage. Despite the prevalence of MOF structures in the literature, in many cases the synthesis of pure, crystalline MOF materials remains a significant challenge, with failed syntheses often yielding mixed crystalline or non-porous amorphous products. Our recent work aims to enable targeted MOF synthesis by developing a comprehensive and predictive model of the fundamental processes occurring at the MOF-solution interface under synthetically-relevant conditions. Our recent accomplishments include: (i) development and implementation of a graphics processor-accelerated approach to simulation the nucleation of weak electrolytes, and the extension of these methods to large/complex solutes such as MOFs; and (ii) studies of the structure of ZIF interfaces under conditions relevant to crystal growth; and (iii) addressing important open questions in the mechanism of MOF solvent-assisted linker exchange, and important synthetic pathway for MOFs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Carrier Lifetime in Semiconductors with Band-Gap Widths Close to the Spin-Orbit Splitting Energies

Expressions for the Auger- and radiative-recombination rates are derived in terms of Kane’s model for materials with a band-gap width close to the spin-orbit splitting energy, which is the case for InAs, InAsSb solid solutions, etc. Our results are compared with simplified expressions for recombination rates, frequently used in publications. It is shown that the nonparabolicity of the electronic structure should be taken into account in calculations of the recombination rates. As an example, the temperature dependences of the charge-carrier lifetimes governed by radiative and non-radiative processes are calculated for InAsSb solid solutions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

MO-D-PinS Room/Hall E-01: Integrating MR into Radiation Therapy

MRI, with its excellent soft tissue contrast and its ability to provide physiological as well as anatomical information, is becoming increasingly used in radiation therapy for treatment planning, image-guided radiation therapy, and treatment evaluation. This session will explore solutions to integrating MRI into the simulation process. Obstacles for using MRI for simulation include distortions and artifacts, image acquisition speed, complexity of imaging techniques, and lack of electron density information. Partners in Solutions presents vendor representatives who will present their approaches to meeting these challenges and others. An increased awareness of how MRI simulation works will allow physicists to better understand and use this powerful technique. The speakers are all employees who are presenting information about their company’s products.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

MO-D-PinS Room/Hall E-02: Multiparametric Fuctional Imaging in Radiation Therapy

MRI, with its excellent soft tissue contrast and its ability to provide physiological as well as anatomical information, is becoming increasingly used in radiation therapy for treatment planning, image-guided radiation therapy, and treatment evaluation. This session will explore solutions to integrating MRI into the simulation process. Obstacles for using MRI for simulation include distortions and artifacts, image acquisition speed, complexity of imaging techniques, and lack of electron density information. Partners in Solutions presents vendor representatives who will present their approaches to meeting these challenges and others. An increased awareness of how MRI simulation works will allow physicists to better understand and use this powerful technique. The speakers are all employees who are presenting information about their company’s products.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

MO-D-PinS Room/Hall E-03: Ingenia MR-RT with MRCAT for MR-Based Radiotherapy Simulation

MRI, with its excellent soft tissue contrast and its ability to provide physiological as well as anatomical information, is becoming increasingly used in radiation therapy for treatment planning, image-guided radiation therapy, and treatment evaluation. This session will explore solutions to integrating MRI into the simulation process. Obstacles for using MRI for simulation include distortions and artifacts, image acquisition speed, complexity of imaging techniques, and lack of electron density information. Partners in Solutions presents vendor representatives who will present their approaches to meeting these challenges and others. An increased awareness of how MRI simulation works will allow physicists to better understand and use this powerful technique. The speakers are all employees who are presenting information about their company’s products.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

The formation of quantum images and their transformation and super-resolution reading

Images formed by light with suppressed photon fluctuations are interesting objects for studies with the aim of increasing their limiting information capacity and quality. This light in the sub-Poisson state can be prepared in a resonator filled with a medium with Kerr nonlinearity, in which self-phase modulation takes place. Spatially and temporally multimode light beams are studied and the production of spatial frequency spectra of suppressed photon fluctuations is described. The efficient operation regimes of the system are found. A particular schematic solution is described, which allows one to realize the potential possibilities laid in the formation of the squeezed states of light to a maximum degree during self-phase modulation in a resonator for the maximal suppression of amplitude quantum noises upon two-dimensional imaging. The efficiency of using light with suppressed quantum fluctuations for computer image processing is studied. An algorithm is described for interpreting measurements for increasing the resolution with respect to the geometrical resolution. A mathematical model that characterizes the measurement scheme is constructed and the problem of the image reconstruction is solved. The algorithm for the interpretation of images is verified. Conditions are found for the efficient application of sub-Poisson light for super-resolution imaging. It is found that the image should have a low contrast and be maximally transparent.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗