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At least 955 records · Page 53

From Fundamental Understanding To Predicting New Nanomaterials For High Capacity Hydrogen/Methane Storage and Carbon Capture

On-board hydrogen/methane storage in fuel cell-powered vehicles is a major component of the national need to achieve energy independence and protect the environment. The main obstacles in hydrogen storage are slow kinetics, poor reversibility and high dehydrogenation temperatures for the chemical hydrides; and very low desorption temperatures/energies for the physisorption materials (MOF’s, porous carbons). Similarly, the current methane storage technologies are mainly based on physisorption in porous materials but the gravimetric and volumetric storage capacities are below the target values. Finally, carbon capture, a critical component of the mitigation of CO 2 emissions from industrial plants, also suffers from similar problems. The solid-absorbers such as MOFs are either not stable against real flue-gas conditions and/or do not have large enough CO 2 capture capacity to be practical and cost effective. In this project, we addressed these challenges using a unique combination of computational, synthetic and experimental methods. The main scope of our research was to achieve fundamental understanding of the chemical and structural interactions governing the storage and release of hydrogen/methane and carbon capture in a wide spectrum of candidate materials. We studied the effect of scaffolding and doping of the candidate materials on their storage and dynamics properties. We reviewed current progress, challenges and prospect in closely related fields of hydrogen/methane storage and carbon capture. For example, for physisorption based storage materials, we show that tap-densities or simply pressing MOFs into pellet forms reduce the uptake capacities by half and therefore packing MOFs is one of the most important challenges going forward. For room temperature hydrogen storage application of MOFs, we argue that MOFs are the most promising scaffold materials for Ammonia-Borane (AB) because of their unique interior active metal-centers for AB binding and well defined and ordered pores. Here the main challenge is to find a chemically stable MOF required for regeneration of the AB-spent fuel. Finally, for carbon capture application of MOFs, we investigate the performance of a number of metal–organic frameworks with particular focus on their behavior at the low pressures commonly used in swing adsorption. This comparison clearly shows that it is the process that determines which MOF is optimal rather than there being one best MOF, though MOFs that possess enhanced binding at open metal sites generally perform better than those with high surface area.

03 NATURAL GAS↗

Durability Improvements Through Degradation Mechanism Studies

The durability of polymer electrolyte membrane (PEM) fuel cells is a major barrier to the commercialization of these systems for stationary and transportation power applications. By investigating cell component degradation modes and defining the fundamental degradation mechanisms of components and component interactions, new materials can be designed to improve durability. To achieve a deeper understanding of PEM fuel cell durability and component degradation mechanisms, we utilize a multi-institutional and multi-disciplinary team with significant experience investigating these phenomena.

08 HYDROGEN↗

Workshop to Identify Opportunities in Biological and Environmental Research Uniquely Enabled by the APS Upgrade

The development of synchrotron-based x-ray science has enabled tremendous scientific advances, driven both by discoveries of new fundamental ways to derive insight from the interaction of x-rays with matter and by the evolution of x-ray light sources themselves. Over the last 20-plus years, the U.S. Department of Energy’s (DOE’s) Advanced Photon Source (APS) at Argonne has yielded a multitude of transformational insights into science questions across numerous areas relevant to the biological, geological, geochemical, biogeochemical, and environmental sciences. Recent developments in accelerator technology, particularly the multi-bend achromat lattice, have led to plans to dramatically upgrade the APS, allowing an upgraded APS to offer orders-of-magnitude improvements in key parameters such as coherence and brightness, while retaining high-energy capabilities. These enhanced parameters are directly relevant to almost all hard x-ray imaging, scattering, and spectroscopy experiments (Eriksson et al., 2014). The APS Upgrade Project exceeds the capabilities of today’s synchrotrons by 2 to 3 orders of magnitude in brightness and coherent flux in the hard x-ray range, enabling a transformational range of new probes for the structure, properties, and functionality of matter. With vastly improved coherent flux, nearly all techniques can become microscopies. For example, frontiers inaccessible today will be opened by x-ray instruments that provide three-dimensional (3-D) real-space resolution down to nanometers across, up to millimeters of field of view, providing the ability to follow in real time relevant processes and trace element sensitivity down to a few atoms. In addition to the unprecedented spatial resolution across a large field of view, and with appropriate time resolution, the ability for high-throughput, four-dimension/five-dimension data collection enables unprecedented statistical analysis of complex biological and environmental systems in changing environments.

54 ENVIRONMENTAL SCIENCES↗

Roll-to-Roll Advanced Materials Manufacturing DOE Laboratory Collaboration (FY2020 Final Report)

R2R processing is used to manufacture a wide range of products for various applications which span many industrial business sectors. The overall R2R methodology has been in use for decades and this continuous technique traditionally involves deposition of material(s) onto moving webs, carriers or other continuous belt-fed or conveyor-based processes that enable successive steps to build a final version which serves to support the deposited materials. Established methods that typify R2R processing include tape casting, silk-screen printing, reel-to-reel vacuum deposition/coating, and R2R lithography. Products supported by R2R manufacturing include micro-electronics, electro-chromic window films, PVs, fuel cells for energy conversion, battery electrodes for energy storage, and barrier and membrane materials. Due to innovation in materials and process equipment, high-quality yet very low-cost multilayer technologies have the potential to be manufactured on a very cost-competitive basis. To move energy-related products from high-cost niche applications to the commercial sector, the means must be available to enable manufacture of these products in a cost-competitive manner that is affordable. Fortunately, products such as fuel cells, thin- and mid-film PVs, batteries, electrochromic and piezoelectric films, water separation membranes, and other energy saving technologies readily lend themselves to manufacture using R2R approaches. However, more early-stage research is needed to solve the challenge of linking the materials (particles, polymers, solvents, additives) used in ink and slurry formulations and the coating and drying processes to the ultimate performance of the final R2R product, especially for a process that uses multiple layers of deposition to achieve the end product. To solve the problems associated with these challenges, the R2R Collaboration is executing a research program with outcomes that will ultimately link modeling, processing, metrology and defect detection tools, thereby directly relating the properties of constituent particles and processing conditions to the performance of final devices. This collaborative approach was designed to foster identification and development of materials and processes related to R2R for clean-energy materials development. Using computational and experimental capabilities by acknowledged subject matter experts within the supported National Laboratory system, this project leverages the capabilities and expertise at each of five National Laboratories to further the development of multilayer technologies that will enable high-volume, cost-competitive platforms. A typical R2R process has three steps: (1) mixing of particles and various constituents in a slurry, (2) coating of the ink/slurry mixture on a substrate, and (3) drying/curing and processing of the coating. Final performance of devices made via R2R processes is dependent on the active materials (e.g., electrochemical particles in battery or fuel cell electrodes) and the device structure that stems from the governing component interactions within the various steps. However, a fundamental understanding of the underlying mechanisms and phenomena is still lacking, which is why industrial-scale R2R process development and manufacturing is still largely empirical in nature. The FY 2019 through FY 2021 program addresses aspects of the following two targets from the AMO Multi-Year Program Plan: (1) Target 8.1 Develop technologies to reduce the cost per manufactured throughput of continuous R2R manufacturing processes. (A) Increasing throughput of R2R processes by 5 times for batteries (to 50 square feet per minute (50 ft 2 /min)) and capacitors and 10 times for printed electronics and the manufacture of other substrates and MEs used in support of these products. (B) Developing resolution capabilities to enable registration and alignment that will detect, align, and co-deposit multiple layers of coatings and print < 1-micron (1 µm) features using continuous process scalable for commercial production. (C) Developing scalable and reliable R2R processes for solution deposition of ultra-thin (<10 nm) films for active and passive materials. (D) Develop in-line multilayer coating technology on thin films with yields greater than 95%. (2) Target 8.2 Develop in-line instrumentation tools that will evaluate the quality of single and multilayer materials in-process. (A) Developing in-line QC technologies and methodologies for real-time identification of defects and expected product properties “in-use/application” during continuous processing at all size-scales with a focus on the “micro” and “nano” scale traces, lines, and devices, i.e., <1 μm at 300 ft./min for R2R processing in air and <10 nm at 20 ft./min for vacuum (B) Developing technologies to increase the measurement frequency of surface rheology without significant cost increases with a goal of a 10-nanometer in-line profilometry at a production rate of 100,000 square millimeters per minute (100,000 mm 2 /min).

42 ENGINEERING↗

Nonlinear Interactions of Alfven Waves in Multi-ion Plasmas (Final Report)

Alfven waves are of fundamental importance in magnetized plasmas, such as the solar wind and Earth’s magnetosphere. When the wave amplitude is large, nonlinear interactions among waves, such as three wave resonance, dominate the dynamics. The nonlinear process can be used as a diagnosis of the plasma composition because the composition affects the dispersion relation of Alfven waves, especially when the wave frequency is close to ion cyclotron frequencies. Previous experiments on the Large Plasma Device (LAPD) had demonstrated that the relative density of two ion species can be determined by examining nonlinear interaction of two counter-propagating Alfven waves. In this project we extended the study to a plasma with three ion species, where multiple wave bands exist, and more nonlinear interactions are possible. We also investigated the feasibility of launching two co-propagating waves to measure the ion composition. The findings of this study have implication in developing new technology to measure cold ion populations in space plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Coherent control of strongly interacting spins in the solid-state

The major goal of this project is to develop coherent interacting spin systems in the solid state, based on rare earth ions. By leveraging the ability to controllably incorporate rare earth ions such as Er into a solid-state host, and maintain individual-ion addressability below the diffraction limit based on inhomogeneous broadening, we aim to create strongly interacting electron spin clusters with individual-site control. Performing spectroscopy of these strongly interacting systems will shed light on their fundamental properties, as well as enable applications to quantum information science, in particular quantum networks that are also enabled by a telecom-band spin-photon interface in Er.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantum Transduction with Abundant Elements for Cleaner Energy

This three-year project established a new approach to calculating crystal field coefficients for rare-earth elements in solids, especially for quantum applications such as transduction. Crystal field values of erbium doping several oxide hosts were presented. In addition stoichiometric materials, erbium oxide and cerium vanadate and phosphate, were simulated to understand their properties for quantum information. A fundamental enhancement to transduction enabled by magnon interaction was presented, along with magnon calculations in several oxide hosts and 2D materials.

36 MATERIALS SCIENCE↗

Tunable Work Functions in Plasmonic Metals

We have studied the effect of BITh molecules on the work functions of Ag and Au, with and without quartz lamp illumination. Silver and gold films coated with BITh molecules were fabricated and studied in reflection and Kelvin Probe experiments. The deposition of BITh films on Ag and Au reduced their work functions (in agreement with our recent study, wherein a similar reduction was caused by the deposition of a PMMA polymer). Illumination of the BITh-coated samples with a quartz lamp caused reductions in work functions by several tens of meV, which (almost) returned to their original values when the light was turned off. The characteristic time of this process (~15 min) was much shorter than that of photopolymerization (~180 min), suggesting that these two phenomena are nearly independent of each other. The effects of the Au substrates were qualitatively similar to those of the Ag substrates. Our findings pave the way to fundamental studies and applications of light–matter interactions.

BITh↗

Ideas and perspectives: how coupled is the vegetation to the boundary layer?

Understanding the sensitivity of transpiration to stomatal conductance is critical to simulating the water cycle. This sensitivity is a function of the degree of coupling between the vegetation and the atmosphere and is commonly expressed by the decoupling factor. The degree of coupling assumed by models varies considerably and has previously been shown to be a major cause of model disagreement when simulating changes in transpiration in response to elevated CO 2 . The degree of coupling also offers us insight into how different vegetation types control transpiration fluxes, which is fundamental to our understanding of land–atmosphere interactions. To explore this issue, we combined an extensive literature summary from 41 studies with estimates of the decoupling coefficient estimated from FLUXNET data. We found some notable departures from the values previously reported in single-site studies. There was large variability in estimated decoupling coefficients (range 0.05–0.51) for evergreen needleleaf forests. This is a result that was broadly supported by our literature review but contrasts with the early literature which suggests that evergreen needleleaf forests are generally well coupled. Estimates from FLUXNET indicated that evergreen broadleaved forests were the most tightly coupled, differing from our literature review and instead suggesting that it was evergreen needleleaf forests. We also found that the assumption that grasses would be strongly decoupled (due to vegetation stature) was only true for high precipitation sites. These results were robust to assumptions about aerodynamic conductance and, to a lesser extent, energy balance closure. Hence, these data form a benchmarking metric against which to test model assumptions about coupling. Our results identify a clear need to improve the quantification of the processes involved in scaling from the leaf to the whole ecosystem. Progress could be made with targeted measurement campaigns at flux sites and greater site characteristic information across the FLUXNET network.

54 ENVIRONMENTAL SCIENCES↗

Basic failure mechanisms in advanced composites

The fundamental failure mechanisms which result from the interaction of thermal cycling and mechanical loading of carbon-epoxy composites were studied. This work was confined to epoxy resin uniderictionally reinforced with HTS carbon fibers, and consists of first identifying local fiber, matrix and interface failure mechanisms using the model composite specimen containing a small number of fibers so that optical techniques can be used for characterization. After the local fracture process has been established for both mechanical loading and thermal cycling, engineering composite properties and gross fracture modes are then examined to determine how the local events contribute to real composite performance. Flexural strength in high fiber content specimens shows an increase in strength with increased thermal cycling. Similar behavior is noted for 25 v/o material up to 200 cycles; however, there is a drastic reduction after 200 cycles indicating a major loss of integrity probably through the accumulation of local cleavage cracks in the tensile region.

Mazzio, V. F.↗

Effects of forward velocity and acoustic treatment on inlet fan noise

Flyover and static noise data from several engines are presented that show inlet fan noise measured in flight can be lower than that projected from static tests for some engines. The differences between flight and static measurements appear greatest when the fan fundamental tone due to rotor-stator interaction or to the rotor alone field is below cutoff. Data from engine and fan tests involving inlet treatment on the walls only are presented that show the attenuation from this treatment is substantially larger than expected from previous theories or flow duct experience. Data showing noise shielding effects due to the location of the engine on the airplane are also presented. These observations suggest that multiringed inlets may not be necessary to achieve the desired noise reduction in many applications.

Feiler, C. E.↗

Effects of forward velocity and acoustic treatment on inlet fan noise

Flyover and static noise data from several engines are presented that show inlet fan noise measured in flight can be lower than that projected from static tests for some engines. The differences between flight and static measurements appear greatest when the fan fundamental tone due to rotor-stator interaction or to the rotor-alone field is below cutoff. Data from engine and fan tests involving inlet treatment on the walls only are presented that show the attenuation from this treatment is substantially larger than expected from previous theories or flow duct experience. Data showing noise shielding effects due to the location of the engine on the airplane are also presented. These observations suggest that multiringed inlets may not be necessary to achieve the desired noise reduction in many applications.

Feiler, C. E.↗

The nonlinear development of Gortler vortices in growing boundary layers

The development of Gortler vortices in boundary layers over curved walls in the nonlinear regime is investigated. The growth of the boundary layer makes a parallel flow analysis impossible except in the high wavenumber regime so in general the instability equations must be integrated numerically. Here the spanwise dependence of the basic flow is described using Fourier series expansion whilst the normal and streamwise variations are taken into account using finite differences. The calculations suggest that a given disturbance imposed at some position along the wall will eventually reach a local equilibrium state essentially independent of the initial conditions. In fact, the equilibrium state reached is qualitatively similar to the large amplitude high wave-number solution described asymptotically by Hall (1982). In general, it is found that the nonlinear interactions are dominated by a mean field type of interaction between the mean flow and the fundamental. Thus, even though higher harmonics of the fundamental are necessarily generated, most of the disturbance energy is confined to the mean flow correction and the fundamental. A major result of the calculations is finding that the downstream velocity field develops a strongly inflection character as the flow moves downstream. The latter result suggests that the major effect of Gortler vortices on boundary layers of practical importance might be to make them highly receptive to rapidly growing Rayleigh modes of instability.

Hall, Philip↗

Colloidal characterization of silicon nitride and silicon carbide

The colloidal behavior of aqueous ceramic slips strongly affects the forming and sintering behavior and the ultimate mechanical strength of the final ceramic product. The colloidal behavior of these materials, which is dominated by electrical interactions between the particles, is complex due to the strong interaction of the solids with the processing fluids. A surface titration methodology, modified to account for this interaction, was developed and used to provide fundamental insights into the interfacial chemistry of these systems. Various powder pretreatment strategies were explored to differentiate between true surface chemistry and artifacts due to exposure history. The colloidal behavior of both silicon nitride and carbide is dominated by silanol groups on the powder surfaces. However, the colloid chemistry of silicon nitride is apparently influenced by an additional amine group. With the proper powder treatments, silicon nitride and carbide powder can be made to appear colloidally equivalent. The impact of these results on processing control will be discussed.

Feke, Donald L.↗

The nonlinear development of Goertler vortices in growing boundary layers

The development of Goertler vortices in boundary layers over curved walls in the nonlinear regime is investigated. The growth of the boundary layer makes a parallel flow analysis impossible except in the high wavenumber regime so in general the instability equations must be integrated numerically. Here the spanwise dependence of the basic flow is described using Fourier series expansion while the normal and streamwise variations are taken into account using finite differences. The calculations suggest that a given disturbance imposed at some position along the wall will eventually reach a local equilibrium state essentially independent of the initial conditions. In fact, the equilibrium state reached is qualitatively similar to the large amplitude high wave-number solution described asymptotically by Hall (1982). In general, it is found that the nonlinear interactions are dominated by a mean field type of interaction between the mean flow and the fundamental. Thus, even though higher harmonics of the fundamental are necessarily generated, most of the disturbance energy is confined to the mean flow correction and the fundamental. A major result of the calculations is finding that the downstream velocity field develops a strongly inflectional character as the flow moves downstream. The latter result suggests that the major effect of Goertler vortices on boundary layers of practical importance might be to make them highly receptive to rapidly growing Rayleigh modes of instability.

Hall, Philip↗

Space Applications Industrial Laser System (SAILS)

A program is underway to develop a YAG laser based materials processing workstation to fly in the cargo bay of the Space Shuttle. This workstation, called Space Applications Industrial Laser System (SAILS), will be capable of cutting and welding steel, aluminum, and Inconel alloys of the type planned for use in constructing the Space Station Freedom. As well as demonstrating the ability of a YAG laser to perform remote (fiber-optic delivered) repair and fabrication operations in space, fundamental data will be collected on these interactions for comparison with terrestrial data and models. The flight system, scheduled to fly in 1996, will be constructed as three modules using standard Get-Away-Special (GAS) canisters. The first module holds the laser head and cooling system, while the second contains a high peak power electrical supply. The third module houses the materials processing workstation and the command and data acquisition subsystems. The laser head and workstation cansisters are linked by a fiber-optic cable to transmit the laser light. The team assembled to carry out this project includes Lumonics Industrial Products (laser), Tennessee Technological University (structural analysis and fabrication), Auburn University Center for Space Power (electrical engineering), University of Waterloo (low-g laser process consulting), and CSTAR/UTSI (data acquisition, control, software, integration, experiment design). This report describes the SAILS program and highlights recent activities undertaken at CSTAR.

Mccay, T. D.↗

Biennial oscillation associated with the East Asian summer monsoon and tropical sea surface temperatures

In this paper, the interannual variability of the East Asian summer monsoon (EASM) rainfall and the tropical sea surface temperature (SST) have been studied. It is found that the EASM rainfall prossesses a strong biennial signal, which is particularly pronounced over the southeast China. For the SST, the biennial oscillation is the second most significant quasi-periodic signal over the entire tropical Indian and Pacific Oceans. Results indicate that the biennial variations in the SST and EASM rainfall are closely linked. The SST pattern which is best correlated with EASM rainfall appears in the form of a double see-saw with quasi-stationary centers of action over the Indian Ocean, the Asian monsoon region and the eastern Pacific. The most pronounced SST signals are found in the equatorial eastern Pacific and Indian Ocean about two seasons preceding and following the EASM rainfall. Evidence is presented suggesting that the biennial variability of the EASM rainfall is phase-locked to a global scale biennial oscillation involving the interplay of the Asian monsoon, the Hadley and Walker circulations, and basin wide fluctuations in SST. In particular, the eastward propagation of zonal wind anomalies from the Indian Ocean to the western Pacific, which regulates the moisture fluxes from the western Pacific to the East Asian region, appears to be a key component of the biennial fluctuation associated with EASM rainfall. Results suggest that the relationship between the Asian monsoon and tropical SST is more robust in the biennial that the El Nino/Southern Oscillation (ENSO) time scale, hence raising the possibility that the biennial oscillation may be more fundamentally related to monsoon-ocean-atmosphere interaction than ENSO itself.

Shen, Suhung↗