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At least 91 records · Page 5

Lithium-Rich Nanoscale Li 1.2 Mn 0.54 Ni 0.13 Co 0.13 O 2 Cathode Material Prepared by Co-Precipitation Combined Freeze Drying (CP-FD) for Lithium-Ion Batteries

Nanoscale Li-rich Li1.2Mn0.54Ni0.13Co0.13O2 material is synthesized by a co-precipitation combined freeze drying (CP-FD) method, and compared with a conventional co-precipitation method combined vacuum drying (CP-VD). With the combination of X-ray diffraction (XRD) and scanning electron microscopy (SEM), it is found that the sample from CP-FD method consists of a pure phase with good crystallinity and small, homogenous particles (100-300 nm) with uniform particle size distribution. Inductively coupled plasma spectroscopy (ICP) shows that the sample has a stoichiometric ratio of n((Li)): n((Mn)): n((Ni)): n((Co))=9: 4: 1: 1; and its Brunauer-Emmett-Teller (BET) specific surface area is 5.749 m(2)g(-1). This sample achieves excellent electrochemical properties: its initial discharge capacities are 298.9 mAhg(-1) at 0.1C (20 mAg(-1)), 246.1 mAhg(-1) at 0.5C, 215.8 mAhg(-1) at 1C, and 154.2 mAhg(-1) at 5C (5C charge and 5C discharge), as well as good cycling performance. In addition, the Li+ chemical diffusion coefficient of Li1.2Mn0.54Ni0.13Co0.13O2 material prepared by the CP-FD method is 4.59 x 10(-11) cm(2) s(-1), which is higher than that of the Li1.2Mn0.54Ni0.13Co0.13O2 material prepared by CP-VD. This phenomenon illustrates the potential for Li1.2Mn0.54Ni0.13Co0.13O2 with good rate performance synthesized by CP-FD method.

36 MATERIALS SCIENCE↗

Ultra-low-density silver aerogels via freeze-substitution

In this paper, we reported a method for fabricating <10 mg/cm 3 silver aerogels via the freeze casting of aqueous nanowire suspensions followed by freeze substitution and supercritical drying. This method overcomes the limitations of traditional freeze drying and yields highly uniform, crack-free monoliths that undergo no measurable shrinkage with excellent mold reproduction. Significantly, freeze substitution enables the use of high concentrations of cryoprotectants to control the freezing process and, hence, the pore architecture of the resulting aerogels. Due to its physical nature, this method is applicable to the fabrication of materials with a broad range of compositions.

36 MATERIALS SCIENCE↗

A classical molecular dynamics simulation method for the formation of “dry” gels from boro-aluminosilicate glass structures

In contact with water, glass transforms into amorphous and porous structures called gels. A simulation method based on classical molecular dynamics is proposed here to mimic “dry” gels forming from initial oxide glass structures. Six glass compositions were investigated. Two behaviours were evidenced depending on the initial glass composition, and in particular on the quantity of elements removed. If a large quantity of soluble elements (B, Na) was removed, it induced an increase in the average pore size within the gels, and the time needed to stabilise the gel structure increased because more local atomic rearrangements occurred. The gel network displayed a higher proportion of Si-Q4 at the expense of Si-Q3 and a lower average ring size compared to the glass network, irrespective of the glass composition. Surface effects were also highlighted in the dry gels, such as the presence of 3-coordinated Al and a decrease in the average angle Si-O-Si and Al-O-Al. Our findings will be compared to both wet gels and experimental data in further studies, to help find the best procedure to simulate such structures.

36 MATERIALS SCIENCE↗

Comparative S/TEM study of superconducting Ta quantum resonators by wet and dry etching types

Superconducting resonators play a pivotal role in various quantum technology applications, such as quantum computing and high-frequency communication systems. The performance of these resonators is closely tied to the properties of the superconducting films used in their fabrication. Here, in this study, we investigated the impact of wet and dry etching on tantalum (Ta) films leveraging advanced scanning transmission electron microscopy-based characterization methods and examined the morphological, chemical, and strain changes caused by the etching processes. Consequently, we report the significant differences between the two etching methods, with dry etching resulting in straight slanted sidewalls and a thinner oxidized layer, while wet etching produced curved sidewalls and undercuts. Both methods led to the formation of a residual Ta wedge at the lower part of the sidewall, causing lattice deformation, which could adversely influence the homogeneous operations of superconducting devices. These insights enhance our understanding of how etching influences superconducting films, offering valuable guidance for optimizing resonators and related devices. Our findings mark a significant stride in advancing quantum technologies and high-frequency communication by enhancing our practical understanding of superconducting material fabrication.

36 MATERIALS SCIENCE↗

A Review and Perspective of Recent Bio-Oil Hydrotreating Research

The pathway for catalytic hydrodeoxygenation of biomass derived fast pyrolysis oil represents a compelling route for production of liquid transportation fuels. There has been continued progress and advancements in both the public and private research areas towards driving this technology to completion. Published research and patent literature have demonstrated that continued development of HDO as a part of a processes for production liquid transportation using biomass is being advanced for both fuel blend stocks and for refinery intermediates for co-processing. Much of the research has still focused on “quality” metrics around single or groups of unit operations generating partially treated bio-oil streams without assessing upstream and downstream implications. However, there is an encouraging amount of research that is now being targeted and assessed with attempts to understand the impact on the final fuel product, regardless of the route. Much of the most important research is moving towards continuous, industrially relevant processes where data can be generated to adequately inform process and economic modeling. As the technology for producing liquid transportation fuels from pyrolysis/HDO/coprocessing is driving towards commercialization, further research should be prioritized on the basis of impact to a techno-economic analyses.

bio-oil↗

Surface-modified and oven-dried microfibrillated cellulose reinforced biocomposites: Cellulose network enabled high performance

Microfibrillated cellulose (MFC) is widely used as a reinforcement filler for biocomposites due to its unique properties. However, the challenge of drying MFC and the incompatibility between nanocellulose and polymer matrix still limits the mechanical performance of MFC-reinforced biocomposites. In this study, we used a water-based transesterification reaction to functionalize MFC and explored the capability of oven-dried MFC as a reinforcement filler for polylactic acid (PLA). Remarkably, this oven-dried, vinyl laurate–modified MFC improved the tensile strength by 38 % and Young’s modulus by 71 % compared with neat PLA. Our results suggested improved compatibility and dispersion of the fibrils in PLA after modification. This study demonstrated that scalable water-based surface modification and subsequent straightforward oven drying could be a facile method for effectively drying cellulose nanomaterials. We find that the method helps significantly disperse fibrils in polymers and enhances the mechanical properties of microfibrillar cellulose-reinforced biocomposites.

36 MATERIALS SCIENCE↗

HI-STORM Overpack and MPC-32 Thermal-Hydraulic Model with MOOSE Framework

Nuclear power is a significant source of electricity in the United States, but the average age of nuclear power plants is around 40 years old. The safe management of the spent nuclear fuel (SNF) is a key aspect of the back-end of the nuclear fuel cycle. Spent fuel dry storage systems are becoming a popular and effective solution in this area, given the absence of a final disposal system. The spent fuel cask system (dry cask method) provides a feasible solution to maintain spent fuel for 60 years before final disposal. Dry cask storage has many characteristics that make it attractive. It fulfills the safety requirements of the Nuclear Regulatory Commission (NRC) while providing modularity and flexibility to contractors. The HI-STORM overpack and MPC-32 canister are the main parts of the HI-STORM 100 dry cask storage system. These components remove heat from the system using natural circulation, requiring no human intervention. This is the characteristic that provides passive heat removal and low maintenance features in dry cask storage systems. To develop a thermal model for a dry cask storage system, the physics behind the system should be defined clearly. There are two natural circulation loops in the system; circulation of helium cools down the nuclear assemblies in the MPC, while circulation of air cools down the walls of the MPC. This work aims to develop a thermal model of the MPC-32 canister and HI-STORM overpack using the Multiphysics Object-Oriented Simulation Environment (MOOSE). MOOSE is an open-source framework developed by Idaho National Laboratory (INL) for multiscale, multiphysics simulations. In this study, we will investigate and demonstrate the thermal-hydraulics modeling capabilities of the MOOSE framework, including natural circulation, heat transfer, and porous flow.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Subtask 4.8 - Fate and Control of Mercury and Trace Elements

The Center for Air Toxic Metals® (CATM®) Program at the Energy & Environmental Research Center (EERC) continues to focus on vital basic and applied research related to the fate, behavior, measurement, and control of trace metals, especially mercury, and the impact that these trace metals have on human health and the environment. For years, the CATM Program has maintained an international perspective, performing research and providing results that apply to both domestic and international audiences, with reports distributed in the United States and abroad. In addition to trace metals, CATM’s research focuses on other related emissions and issues that impact trace metal releases to the environment, such as SO x , NO x , CO 2 , ash, and wastewater streams. Of paramount interest and focus has been performing research that continues to enable the power and industrial sectors to operate in an environmentally responsible manner to meet regulatory standards. The research funded by the U.S. Department of Energy’s (DOE’s) National Energy Technology Laboratory (NETL) through CATM has allowed significant strides to be made to gain a better understanding of trace metals and other emissions, improve sampling and measurement techniques, fill data gaps, address emerging technical issues, and develop/test control technologies that allow industry to cost-effectively meet regulatory standards. The DOE NETL–CATM research specifically focused on the fate and control of mercury and trace elements in power systems that use CO 2 control technologies, such as oxycombustion and gasification systems, which are expected to be among those technologies that will be used to address climate change issues. In addition, research addressed data gaps for systems that use conventional and multipollutant control technologies, such as electrostatic precipitators, selective catalytic reduction units, flue gas desulfurization systems, and flue gas-conditioning methods, to understand mercury interactions, develop better control strategies and, in some cases, prevent mercury from being reemitted. This research also addressed stakeholder concerns and questions related to sampling and analytical methods for mercury, especially for continuous mercury monitors and sorbent trap methods for future compliance. Advancements were made toward the development of a much simpler dry-based method for measurement of halogens and trace metals. Finally, this research resulted in significant outcomes related to mercury and selenium concentrations in freshwater fish and how it is associated with other elements, thereby potentially impacting health; this has greatly enhanced the understanding of the second-order mechanism of mercury toxicity. The outcomes of this research have been shared with stakeholders in various domestic and international forums, working groups, conferences, educational settings, and published documents, with information available and accessible to those most impacted or interested in timely and current results on toxic metals. This subtask was funded through the EERC–DOE Joint Program on Research and Development for Fossil Energy-Related Resources Cooperative Agreement No. DE-FC26-08NT43291.

54 ENVIRONMENTAL SCIENCES↗

Development of a MOOSE thermal model of the MPC-32 canister and HI-STORM overpack

Nuclear power is a significant source of electricity in the United States, but the average age of nuclear power plants is around 40 years old. The safe management of the spent nuclear fuel (SNF) is a key aspect of the back-end of the nuclear fuel cycle. Spent fuel dry storage systems are becoming a popular and effective solution in this area, given the absence of a final disposal system. The spent fuel cask system (dry cask method) provides a feasible solution to maintain spent fuel for 60 years before final disposal. Dry cask storage has many characteristics that make it attractive. It fulfills the safety requirements of the Nuclear Regulatory Commission (NRC) while providing modularity and flexibility to contractors. The HI-STORM overpack and MPC-32 canister are the main parts of the HI-STORM 100 dry cask storage system. These components remove heat from the system using natural circulation, requiring no human intervention. This is the characteristic that provides passive heat removal and low maintenance features in dry cask storage systems. To develop a thermal model for a dry cask storage system, the physics behind the system should be defined clearly. There are two natural circulation loops in the system; circulation of helium cools down the nuclear assemblies in the MPC, while circulation of air cools down the walls of the MPC. This work aims to develop a thermal model of the MPC-32 canister and HI-STORM overpack using the Multiphysics Object-Oriented Simulation Environment (MOOSE). MOOSE is an open-source framework developed by Idaho National Laboratory (INL) for multiscale, multiphysics simulations. In this study, we will investigate and demonstrate the thermal-hydraulics modeling capabilities of the MOOSE framework, including natural circulation, heat transfer, and porous flow.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Drying Spent Magnox Fuel for Interim Dry Storage

Spent Magnox fuel is usually stored under water for shielding and cooling following use in-reactor, but the storage water can react with Magnox clad fuel and cause corrosion and forms a sludge which generates a secondary waste product. One option to prevent unwanted corrosion and avoid expensive waste management is to dry the wet fuel. This project aims to test a drying process which will convert wet and corroded Magnox fuel to a stable form to demonstrate viability for conversion from wet to dry storage. Samples of corroded Magnox supplied by National Nuclear Laboratory. Corrosion product retrieved by various methods including dry scraping, ultrasonic treatment to form sludge and sludge drying to isolate suspension. TGA undertaken on Sample 1 and Sample 2, with brucite and hydromagnesite for comparison. Both samples showed ∼10% mass loss up to 250 deg. C attributable to water held in sample. Mass loss from dehydroxylation which liberates further water in both samples. TGA data plotted alongside chemically pure brucite and hydromagnesite shows expected similarities/differences between Sample 1(mostly brucite) and Sample 2 (brucite/hydromagnesite mixture). Following treatment, dried samples observed to slowly gain mass in ambient conditions. Presumed to be hygroscopic absorption of air water vapour as effect is reversible, with similar effect observed for hydromagnesite and brucite. Etched Magnox vacuum dried for 3.5 h at 90 deg. C to test for reaction with residual water - some discoloration but no noticeable corrosion observed. Drying etched Magnox metal to observe surface effects/corrosion during drying process.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Rational anode design for protonic ceramic fuel cells by a one-step phase inversion method

A one-step phase inversion method was applied to fabricate an optimized anode structure for protonic ceramic fuel cells (PCFCs). The phase inversion process utilized raw starting chemicals, instead of crystalline BaCe 0.7 Z r0.1 Y 0.1 Yb 0.1 O 3-δ (BCZYYb) powder in an energy and time saving process. The resulting large and fingerlike pores exhibited enhanced performance as compared to the disordered pores produced by conventional preparation of anode structures using dry pressing methods. The electrochemical performance of the rational designed anode supported cell were 491, 402, 302 and 200 mW cm -2 at 700, 650, 600 and 550 °C, respectively, which was nearly twice than the cell with dry pressing anode. An equivalent circuit modeling method was used to separate the anode polarization resistance from the single cell, confirming that the overall cell performance improvements were attributed to microstructural modifications of the anode by the phase inversion process. The one-step phase inversion method demonstrated great promise for improved processing of fuel cells and separation membranes.

25 ENERGY STORAGE↗

In situ determination of soil carbon pool by inelastic neutron scattering: Comparison with dry combustion

There is a well-documented need for new in situ technologies for elemental analysis of soil, particularly for carbon (C), that overcome the limitations of the currently established chemical method by dry combustion (DC). In this work, we evaluated the concordance between the new INS (inelastic neutron scattering) technology and the DC method. The comparisons were carried out in the high C content (30-40%) organic soils of Willard, Ohio (4 sites), in natural forest in Willard, Ohio (1 site), and in a watershed pasture, with an {approx} 10{sup o} slope, in Coshocton, Ohio (5 sites). In addition to these stationary measurements, the organic soil and the pasture were continuously scanned with the inelastic neutron scattering (INS) system to obtain the transects mean C value. Both types of measurements, INS and DC, registered a decline in the surface density of C along transects in the watershed and in the organic soil. Similarly, both recorded a drop in C in the organic soil of about 0.16%. In the pastureland, declines in C levels of 0.08% and 0.10% were observed, respectively, by DC and INS. Combining the results from the three sites yielded a very satisfactory correlation between the INS- and DC-responses, with a regression coefficient, r{sup 2}, value of about 0.99. This suggests the possibility of establishing a universal regression line for various soil types. In addition, we demonstrated the ability of INS to measure the mean value over transect. In organic soil the mean value of an INS scan agreed, {approx} 0.5%, with the mean values of the DC analysis, whereas large discrepancy between these two was recorded in the pastureland. Overall, the various trends observed in C measurements by INS concurred with those determined by the DC method, so enhancing the confidence in the new INS technology.

54 ENVIRONMENTAL SCIENCES↗

A Scalable Method for Extracting Soiling Rates from PV Production Data

We present a method for analyzing time series production data from photovoltaic systems to extract the rate at which energy yield is affected by the accumulation of dust, dirt, and other forms of soiling. We describe an approach that is based on prevailing methods which consider the change in energy production during dry periods. The method described here builds upon these methods by considering a statistical sample of soiling intervals from each site under consideration. The method enables straightforward application to a large number of sites with minimal parameterization of data-filtering requirements. Furthermore, it enables statistical confidence intervals and comparisons between sites.

14 SOLAR ENERGY↗

Black Conductive Titanium Oxide High-Capacity Materials for Battery Electrodes

Stoichiometric titanium dioxide (TiO{sub 2}) is one of the most widely studied transitionmetal oxides because of its many potential applications in photoelectrochemical systems, such as dye-sensitized TiO{sub 2} electrodes for photovoltaic solar cells, and water-splitting catalysts for hydrogen generation, and in environmental purification for creating or degrading specific compounds. However, TiO{sub 2} has a wide bandgap and high electrical resistivity, which limits its use as an electrode. A set of non-stoichiometric titanium oxides called the Magneli phases, having a general formula of Ti{sub n}O{sub 2n-1} with n between 4 and 10, exhibits lower bandgaps and resistivities, with the highest electrical conductivities reported for Ti{sub 4}O{sub 7}. These phases have been formulated under different conditions, but in all reported cases the resulting oxides have minimum grain sizes on the order of micrometers, regardless of the size of the starting titanium compounds. In this method, nanoparticles of TiO{sub 2} or hydrogen titanates are first coated with carbon using either wet or dry chemistry methods. During this process the size and shape of the nanoparticles are 'locked in.' Subsequently the carbon-coated nanoparticles are heated. This results in the transformation of the original TiO{sub 2} or hydrogen titanates to Magneli phases without coarsening, so that the original size and shape of the nanoparticles are maintained to a precise degree. People who work on batteries, fuel cells, ultracapacitors, electrosynthesis cells, electro-chemical devices, and soil remediation have applications that could benefit from using nanoscale Magneli phases of titanium oxide. Application of these electrode materials may not be limited to substitution for TiO{sub 2} electrodes. Combining the robustness and photosensitivity of TiO{sub 2} with higher electrical conductivity may result in a general electrode material.

08 HYDROGEN↗

Development of a Universal Second-Tier Newborn Screening LC–MS/MS Method for Amino Acids, Lysophosphatidylcholines, and Organic Acids

First-tier MS-based newborn screening by flow injection analysis can have high presumptive positive rates, often due to isomeric/isobaric compounds or poor biomarker specificity. These presumptive positive samples can be analyzed by second-tier screening assays employing separations such as liquid chromatography–mass spectrometry (LC–MS/MS), which increases test specificity and drastically reduces false positive referrals. The ability to screen for multiple disorders in a single multiplexed test simplifies workflows and maximizes public health laboratories’ resources. In this study, we developed and validated a highly multiplexed second-tier method for dried blood spots using a hydrophilic interaction liquid chromatography (HILIC) column coupled to an MS/MS system. The LC–MS/MS method was capable of simultaneously detecting second-tier biomarkers for maple syrup urine disease, homocystinuria, methylmalonic acidemia, propionic acidemia, glutaric acidemia type 1, glutaric acidemia type 2, guanidinoacetate methyltransferase deficiency, short-chain acyl-CoA dehydrogenase deficiency, adrenoleukodystrophy, and Pompe disease.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Demonstration of a Piston Plug feed System for Feeding Coal/Biomass Mixtures across a Pressure Gradient for Application to a Commercial CBTL System

Producing liquid transportation fuels and power via coal and biomass to liquids (CBTL) and integrated gasification combined cycle (IGCC) processes can significantly improve the nation's energy security. The Energy Independence and Security Act of 2007 mandates increasing renewable fuels nearly 10-fold to >2.3 million barrels per day by 2022. Coal is abundantly available and coal to liquids (CTL) plants can be deployed today, but they will not become sustainable without large scale CO 2 capture and storage. Co-processing of coal and biomass in CBTL processes in a 60 to 40 ratio is an attractive option that has the potential to produce 4 million barrels of transportation fuels per day by 2020 at the same level of CO 2 emission as petroleum. In this work, Southern Research Institute (Southern) has made an attempt to address one of the major barriers to the development of large scale CBTL processes - cost effective/reliable dry-feeding of coal-biomass mixtures into a high pressure vessel representative of commercial entrained-flow gasifiers. Present method for dry coal feeding involves the use of pressurized lock-hopper arrangements that are not only very expensive with large space requirements but also have not been proven for reliably feeding coal-biomass mixtures without the potential problems of segregation and bridging. The project involved the development of a pilot-scale 250 lb/h high pressure dry coal-biomass mixture feeder provided by TKEnergi and proven for feeding biomass at a scale up to 6 ton/day. The aim of this project is to demonstrate cost effective feeding of coal-biomass mixtures (50:50 to 70:30) made from a variety of coals (bituminous, lignite) and biomass (wood, corn stover, switch grass). The feeder uses a hydraulic piston-based approach to produce a series of plugs of the mixture that act as a seal against high back-pressure of the gasification vessel in to which the mixture is being fed. The plugs are then fed one by one via a plug breaker into the high pressure gasification vessel. A number of runs involving the feeding of coal and biomass mixtures containing 50 to 70 weight % coal into a high pressure gasification vessel simulator have shown that plugs of sufficient density can be formed to provide a seal against pressures up to 450 psig if homogeneity of the mixture can be maintained. However, the in-homogeneity of coal-biomass mixtures can occur during the mixing process because of density, particle size and moisture differences. Also, the much lower compressibility of coal as opposed to biomass can contribute to non-uniform plug formation which can result in weak plugs. Based on present information, the piston plug feeder offered marginal economic advantages over lock-hoppers. The results suggest a modification to the piston feeder that can potentially seal against pressure without the need for forming plugs. This modified design could result in lower power requirements and potentially better economics.

01 COAL, LIGNITE, AND PEAT↗