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At least 739 records · Page 41

The preparation and characterization of iron fluorides polymorphs FeF{sub 3}·0.33H{sub 2}O and β-FeF{sub 3}∙3H{sub 2}O as cathode materials for lithium-ion batteries

Graphical abstract: Better rate capability and cycling performance were observed for β-FeF{sub 3}·3H{sub 2}O/C prepared by mechano-chemical synthesis. - Highlights: • A novel mechano-chemical preparation method. • The use of NH{sub 4}F as starting material. • Better electro-chemical performance in the case of β-FeF{sub 3}·3H{sub 2}O/C. - Abstract: Two kinds of iron fluorides, FeF{sub 3}·0.33H{sub 2}O and β-FeF{sub 3}∙3H{sub 2}O, have been synthesized by different chemical routes using Fe(NO{sub 3}){sub 3}·9H{sub 2}O and NH{sub 4}F as precursors and investigated as cathode materials for secondary lithium batteries. β-FeF{sub 3}·3H{sub 2}O was obtained via a mechano-chemical process and FeF{sub 3}·0.33H{sub 2}O was obtained by a precipitation reaction from ethanol solution. To further improve their electrochemical properties, a ball milling process with carbon has been used to form composites. The fluorides were characterized by X-ray diffraction (XRD), thermal analysis, FTIR spectroscopy, galvanostatic charge/discharge and cyclic voltammetry measurements. The results showed that the as-prepared β-FeF{sub 3}·3H{sub 2}O/C exhibited better rate performance and cycling stability. It exhibited an initial discharge capacity of 199.6 mA h g{sup −1} at a current density of 20 mA g{sup −1} in a voltage range of 1.8–4.5 V and still reserved a discharge capacity of about 146.5 mA h g{sup −1} after 10 cycles. Only a capacity loss of 15 mA h g{sup −1} and 7 mA h g{sup −1} was observed when the current density was at 40 mA g{sup −1} and 80 mA g{sup −1}, respectively.

36 MATERIALS SCIENCE↗

Electrodeposited manganese dioxide nanostructures on electro-etched carbon fibers: High performance materials for supercapacitor applications

Highlights: • We report a facile method for fabrication of MnO{sub 2} nanostructures on electro-etched carbon fiber. • MnO{sub 2}-ECF electrode shows outstanding supercapacitive behavior even at high discharge rates. • Exceptional cycle stability was achieved for MnO{sub 2}-ECF electrode. • The coulombic efficiency of MnO{sub 2}-ECF electrode is nearly 100%. - Abstract: In this article we introduce a facile, low cost and additive/template free method to fabricate high-rate electrochemical capacitors. Manganese oxide nanostructures were electrodeposited on electro-etched carbon fiber substrate by applying a constant anodic current. Nanostructured MnO{sub 2} on electro-etched carbon fiber was characterized by scanning electron microscopy, X-ray diffraction and energy dispersive X-ray analysis. The electrochemical behavior of MnO{sub 2} electro-etched carbon fiber electrode was investigated by electrochemical techniques including cyclic voltammetry, galvanostatic charge/discharge, and electrochemical impedance spectroscopy. A maximum specific capacitance of 728.5 F g{sup −1} was achieved at a scan rate of 5 mV s{sup −1} for MnO{sub 2} electro-etched carbon fiber electrode. Also, this electrode showed exceptional cycle stability, suggesting that it can be considered as a good candidate for supercapacitor electrodes.

36 MATERIALS SCIENCE↗

Fatigue crack growth rates of X100 steel welds in high pressure hydrogen gas considering residual stress effects

Fatigue crack growth rate (FCGR) data were measured in high pressure hydrogen gas versus stress intensity factor range (ΔK) in specimens removed from a X100 welded steel pipe. Three distinct regions of the pipe weld were examined: base metal, weld fusion zone, and heat affected zone. Tests were performed at a load ratio (R) of 0.5, frequency of 1 Hz, and at a hydrogen gas pressure of 21 MPa. Tests were also performed in air at 10 Hz as a reference. Fatigue crack growth rates were observed to be over an order of magnitude higher for tests performed in hydrogen compared to the rates from tests in air. Residual stress measurements were collected on identical specimens cut from the base metal, weld, and heat affected zone to account for their influence on measured FCGR data. The slitting method provided residual stress and residual stress intensity factor (K res ), the effect of which was removed from the FCGR data using K norm in order to provide a more direct comparison of crack growth resistance of the base metal, weld and heat affected zone. Prior to accounting for residual stress, FCGR in hydrogen gas appeared to be highest in the weld fusion zone. Furthermore, after accounting for residual stress effects, the weld fusion zone FCGR data converged to the base metal FCGR data, which underscores the importance of accounting for residual stress effects when assessing fatigue performance.

42 ENGINEERING↗

Inferring Strength of Tantalum from Hydrodynamic Instability Recovery Experiments

Hydrodynamic instability experiments allow access to material properties at extreme conditions, where strain rates exceed 105 s -1 and pressures reach 100 GPa. Current hydrodynamic instability experimental methods require in-flight radiography to image the instability growth at high pressure and high strain rate, limiting the facilities where these experiments can be performed. An alternate approach, recovering the sample after loading, allows measurement of the instability growth with profilometry. Tantalum samples were manufactured with different 2D and 3D initial perturbation patterns and dynamically compressed by a blast wave generated by laser ablation. The samples were recovered from peak pressures between 30 and 120 GPa and strain rates on the order of 107 s -1 , providing a record of the growth of the perturbations due to hydrodynamic instability. These records are useful validation points for hydrocode simulations using models of material strength at high strain rate. Recovered tantalum samples were analyzed, providing an estimate of the strength of the material at high pressure and strain rate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Water-Based Electrode Manufacturing and Direct Recycling of Lithium-Ion Battery Electrodes—A Green and Sustainable Manufacturing System

It is critical to develop a low-cost and environmentally friendly system to manufacture and recycle lithium-ion batteries (LIBs) as the demand on LIBs keeps increasing dramatically. Conventional LIB cathodes are manufactured using N-methyl-2-pyrrolidone as the solvent, which is expensive, highly toxic, flammable, and energy intensive to produce and recover. Ideally, a close-loop industrial supply chain should be built, in which the batteries are manufactured, market harvested, and recycled with minimal external toxic solvent through the whole system. This work demonstrates a green and more sustainable manufacturing method for LIBs where no hazardous organic solvent is used during electrode manufacturing and recycling. The electrodes fabricated via water-based processing demonstrate comparable rate performance and cycle life to the ones from conventional solvent-based processing. Utilization of a water-soluble binder enables recovering the cathode compound from spent electrodes using water, which is successfully regenerated to deliver comparable electrochemical performance to the pristine one.

25 ENERGY STORAGE↗

Porous NaTi2(PO4)3@C nanocubes as improved anode for sodium-ion batteries

Highlights: • Porous NaTi{sub 2}(PO{sub 4}){sub 3}@C nanocubes are synthesized. • Oleic acid is utilized as the carbon source. • NaTi{sub 2}(PO{sub 4}){sub 3}@C is to be measured at 0.01–3 V for SIBs. • NaTi{sub 2}(PO{sub 4}){sub 3}@C achieves 201 mAh g{sup −1} at 100 mA g{sup −1} after 100 cycles. • NaTi{sub 2}(PO{sub 4}){sub 3}@C delivers 140 mAh g{sup −1} at 1 A g{sup −1} for 1000 times. - Abstract: The NASICON-type NaTi{sub 2}(PO{sub 4}){sub 3} has drawn much attention as anode material for sodium-ion batteries owing to its stable structural characteristics and low cost. Nevertheless, the insulating property of NaTi{sub 2}(PO{sub 4}){sub 3} and the high working potential of about 2.1 V vs. Na{sup +}/Na lead to its poor cycling stability, low rate performance as well as inferior capacity. In this work, we synthesize the porous NaTi{sub 2}(PO{sub 4}){sub 3}@C nanocubes by hydrothermal method and a subsequent coating process with using oleic acid as the carbon source. When utilized as the anode for sodium-ion battery in the voltage range between 0.01 V and 3.0 V, The as-synthesized porous NaTi{sub 2}(PO{sub 4}){sub 3}@C nanocubes deliver a discharge capacity of 201 mAh·g{sup −1} at the current density of 100 mA g{sup −1} after 100 cycles. Additionally, the reserved capacity of 140 mAh·g{sup −1} could be achieved at the current density of 1 A g{sup −1} after 1000 cycles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Trap and recombination centers study in sprayed Cu₂ZnSnS₄ thin films

In this work, a study of trap and recombination center properties in polycrystalline Cu₂ZnSnS₄ thin films is carried out in order to understand the poor performance in Cu₂ZnSnS₄ thin film solar cells. Thermally stimulated current has been studied in Cu₂ZnSnS₄ deposited by pneumatic spray pyrolysis method using various heating rates, in order to gain information about trap centers and/or deep levels present within the band-gap of this material. A set of temperature-dependent current curves revealed three levels with activation energy of 126±10, 476±25, and 1100±100 meV. The possible nature of the three levels found is presented, in which the first one is likely to be related to Cu{sub Zn} antisites, while second and third to Sn vacancies and Sn{sub Cu} antisites, respectively. The values of frequency factor, capture cross section, and trap concentration have been determined for each center.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Role of Accelerated Burnup Irradiation Testing in Support of Accelerated Fuel Qualification

Accelerated fuel qualification has gained attention as a means to reduce the time needed to realize new nuclear fuel concepts and expand the operating windows of existing fuel forms. A key component of this approach is accelerated burnup irradiation testing. Although the concept of accelerated burnup has been familiar to the community for many decades, the specifics about how the increasing fission rate may be used as a qualification tool have not yet been elucidated. The present work provides a vision of how accelerated fission rate testing can enable accelerated fuel qualification. Technology readiness levels (TRLs) are reintroduced to demarcate the stages of traditional fuel qualification, and accelerated fuel qualification is presented in this context. The critical steps needed to achieve each TRL are reframed within the context of modern nuclear materials research and development, as revolutionary fuel concepts are more common than previous eras. The practical impacts of accelerated fuel qualification approaches as applied to contemporary fuel qualification efforts are illustrated. Examples are given to illustrate how accelerated burnup irradiations are being used currently and could be applied in the future to support qualification and licensure. Finally, outstanding challenges in the application of accelerated burnup methods to nuclear fuel qualification are summarized, with priority placed on understanding how fission rate impacts diffusion, microstructure evolution, and other critical mechanisms that dictate fuel performance.

Accelerated fuel qualification↗

Ab Initio Investigation of Charge Trapping Across the Crystalline- Si -Amorphous- Si O 2 Interface

Accurate microscopic description of the charge-trapping process from semiconductor to defects in the dielectric-oxide layer is of paramount importance for understanding many microelectronic devices such as complementary metal-oxide-semiconductor (CMOS) transistors, as well as electrochemical reactions. Unfortunately, most current microscopic descriptions of such processes are based on empirical models with parameters fitted to experimental device performance results or simplified approximations like the Wentzel-Kramers-Brillouin (WKB) method. Some critical questions are still unanswered, including: What controls the charge-hopping rate, the coupling strength between the defect level to semiconductor level, or the energy difference? How does the hopping rate decay with defect-semiconductor distance? What is the fluctuation of the defect level, especially in amorphous dielectrics? Many of these questions can be answered by ab initio calculations. However, to date, there are few ab initio studies for this problem mainly due to technical challenges from atomic-structure construction to large-system calculations. Here, using the latest advances in calculation methods and codes, we study the carrier-trapping problem using density-functional theory (DFT) based on the Heyd-Scuseria-Ernzerhof (HSE) exchange correlation functional. The valence bond random-switching method is used to construct the crystalline-Si-amorphous-SiO2 (c-Si/a-SiO2) interfacial atomic structure, and the HSE yields a band offset that agrees well with experiments. The hopping rate is calculated with the Marcus theory, and the hopping-rate dependences on the gate potential and defect distances are revealed, as well as the range of fluctuation results from amorphous structural variation. We also analyze the result with the simple WKB model and find a major difference in the description of the coupling constant decay with the defect-semiconductor distance. Our results provide the ab initio simulation insights for this important carrier-trapping process for device operation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Neoadjuvant Chemotherapy and Nipple-Sparing Mastectomy: Timing and Postoperative Complications

Background: As the demand for nipple-sparing mastectomy (NSM) increases and surgeons expand the eligibility criteria, a subset of patients may become candidates following neoadjuvant chemotherapy (NACT). However, the impact of NACT on postoperative complications remains unclear as the current literature is discordant. Methods: A single-institution, retrospective chart review was performed on patients undergoing NSM from 1989 to 2017. Patient demographics, surgical intervention, systemic treatment, and complication rates were collected. Primary outcomes were 30-day postoperative complications, including nipple-areolar necrosis, skin flap necrosis, infection, wound dehiscence, hematoma, and seroma. Secondary outcomes included characterization of the timing between chemotherapy and surgical intervention, and the impact on complication rates. Each breast was considered independently for analysis, and breasts undergoing either NACT or primary surgery (PS) were compared. Results: Of the 832 breasts included, 88 (10.6%) received NACT and 744 (89.4%) underwent PS. Baseline complication rates were not significantly different between the NACT group and the PS group (5.7% vs. 10.6%; p = 0.119). When controlling for age, body mass index (BMI), smoking, and prior radiation, NACT was not a predictor of complications. Time from completion of NACT to PS occurred at a median of 40.5 days (interquartile range 31.3–55.3), and decreased intervals were not associated with increased complication rates. Conclusions: Postoperative complications following NSM in patients completing NACT are comparable with those receiving PS. Patients undergoing NACT do not have a significantly increased risk of necrosis, unintended reoperations, or nipple loss. NACT should not be considered a contraindication for NSM.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Annual Report, Spring 2015: Alternative Chemical Cleaning Methods for High Level Waste Tanks – Corrosion Test Results

The testing presented in this report is in support of the investigation of the Alternative Chemical Cleaning program to aid in developing strategies and technologies to chemically clean radioactive High Level Waste tanks prior to tank closure. The data and conclusions presented here were the examination of the corrosion rates of A285 carbon steel and 304L stainless steel when interacted with the chemical cleaning solution composed of 0.18 M nitric acid and 0.5 wt. % oxalic acid. This solution has been proposed as a dissolution solution that would be used to remove the remaining hard heel portion of the sludge in the waste tanks. This solution was combined with the HM and PUREX simulated sludge with dilution ratios that represent the bulk oxalic cleaning process (20:1 ratio, acid solution to simulant) and the cumulative volume associated with multiple acid strikes (50:1 ratio). The testing was conducted over 28 days at 50°C and deployed two methods to invest the corrosion conditions; passive weight loss coupon and an active electrochemical probe were used to collect data on the corrosion rate and material performance. In addition to investigating the chemical cleaning solutions, electrochemical corrosion testing was performed on acidic and basic solutions containing sodium permanganate at room temperature to explore the corrosion impacts if these solutions were to be implemented to retrieve remaining actinides that are currently in the sludge of the tank.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Designing Catalysts for Dehydrogenation of Methane for Reducing Greenhouse Gas during Natural Gas Extraction

Catalytic conversion of methane (CH 4 ) into useful products is critical for maximizing the utility of natural gas output and for reducing green house gas release associated with flaring (burning off CH 4 at natural gas extraction sites). One particular useful technique is methane dry reforming (DRM), which involves the chemical reaction of CH 4 with carbon dioxide (CO 2 ) to generate carbon monoxide (CO), hydrogen gas (H 2 ), and subsequently other useful products. New and improved catalysts are required to facilitate efficient dry methane reforming. In this report, we apply the Density Functional Theory (DFT) computational technique to investigate a catalyst consisting of small nickel clusters (Ni n , n < 10) on ceria (Ce0 2 (111) surfaces) support. One main thrust of this project is to study the initial CH 4 and CO 2 reactions with the catalyst. We find that CH 4 exhibits barrierless reactive adsorption on to the catalyst. In order words, this step is likely not the rate-determining step. A second thrust is to perform detailed studies of the catalyst itself and examine the role of oxygen vacancies. Using a specific DFT method and a hypothesis about the absence of the Ce(III) redox state, we obtain predictions about oxygen vacancies in good agreement with experimental observations.

03 NATURAL GAS↗

Acceleration effects on the performance of solid-propellant rocket motors

Some acceleration effects on rocket performance have been well publicized. The dynamic process, characterized by marked increases in 'localized' burning rate, produces excessive case heating, slag retention, pressure buildup, and/or internal flow alterations. Data are presented illustrating drastic effects at low accelerations for sustainer type propellants and its relevance to several recent failures. Normalized orientation dependence of rate augmentation appears coupled to acceleration level and base burning rate. Effects appear influenced by propellant composition. Predictions using subscale motor data show good agreement with observed performance for ground spin and flight tests. Subscale test methods and results are also discussed.

Lucy, M. H.↗

Simulating AOTV heating environment in an arc jet

The application of arc-jet facilities to the simulation of the combined radiative and convective heating environments calculated for AOTV return missions is presented. The AOTV mission requirement and design configuration determine the magnitude of the radiative and convective heating rates. This paper considers methods for obtaining radiation from the high temperature plasma in arc-jet flows. A computer code that predicts arc-heater performance was used to determine the effect of gas mixtures on arc-heater performance, with the intent of increasing the gas temperature and resultant radiative emission. Numerical radiation solutions were compared with direct measurements of the radiative intensity from the gas cap. Convective heating measurements were made as well. The arc-jet was operated at AOTV enthalpy and pressure levels for these measurements to assess the simulation capabilities for AOTV material development/testing. A parametric study is presented that defines the capability of the Interaction Heating Facility arc jet at Ames to simulate both the radiative and the convective heating for current AOTV configurations.

Balboni, J.↗

Establishing an evoked-potential vision-tracking system

This paper presents experimental evidence to support the feasibility of an evoked-potential vision-tracking system. The topics discussed are stimulator construction, verification of the photic driving response in the electroencephalogram, a method for performing frequency separation, and a transient-analysis example. The final issue considered is that of object multiplicity (concurrent visual stimuli with different flashing rates). The paper concludes by discussing several applications currently under investigation.

Skidmore, Trent A.↗

Electrokinetic remediation prefield test methods

Methods for determining the parameters critical in designing an electrokinetic soil remediation process including electrode well spacing, operating current/voltage, electroosmotic flow rate, electrode well wall design, and amount of buffering or neutralizing solution needed in the electrode wells at operating conditions are disclosed These methods are preferably performed prior to initiating a full scale electrokinetic remediation process in order to obtain efficient remediation of the contaminants.

Hodko, Dalibor↗

System for Testing Thermal Insulation of Pipes

An apparatus and method have been developed for measuring the rates of leakage of heat into pipes carrying liquids, the purpose of the measurements being to quantify the thermal performance of the insulation system. The apparatus is designed primarily for testing pipes used to carry cryogenic liquids, but can also be used for measuring the thermal performance of other insulated pipes or piping systems. The basic measurement principle is straightforward: The outer surface of the pipe insulation is maintained at a fixed warmer temperature. The interior of the pipe is maintained in a narrow fixed lower-temperature range by means of a regular liquid (e.g., water) that is pumped through the pipe at a known flow rate or a cryogenic liquid (e.g., nitrogen) that is saturated at atmospheric pressure and replenished until steady-state conditions are achieved. In the case of water or another liquid pumped through, the inlet and outlet temperatures are measured and heat-leak power is calculated as the mass flow rate of the liquid multiplied by the specific heat of the liquid multiplied by the inlet-to-outlet temperature rise of the liquid. In the case of liquid nitrogen or another low-temperature boiling liquid, the heat-leak power is calculated as the rate of boil-off multiplied by the latent heat of vaporization of the liquid. Then the thermal-insulation performance of the pipe system can be calculated as a function of the measured heat-leak power, the inner and outer boundary temperatures, and the dimensions of the pipe. The apparatus can test as many as three pipes simultaneously. The pipes can have inner diameters up to .15 cm and outer diameters up to .20 cm. The lengths of the pipes may vary; typical lengths are of the order of 18 m. Two thermal guard boxes . one for each end of the pipe(s) under test . are used to make the inlet and outlet fluid connections to the pipe(s) (see figure). The connections include bellows that accommodate thermal expansion and contraction of the pipes. The guard boxes and pipe(s) are positioned so that the pipe(s) slope upward from the upstream to the downstream end at an angle of at least 2 . The upward slope allows vapor bubbles to accumulate at the downstream end. The thermal guard boxes keep the ends of the pipes at the lower interior temperature to prevent spurious lengthwise leakage of heat into the pipes. It is important to prevent this spurious heat leakage because, if it were allowed to occur, it could contribute a large error in the measured heat-leak power. The upstream thermal guard box includes a heat exchanger through which liquid flowing into the pipe(s) is subcooled to the saturation temperature corresponding to the ambient pressure. Conversely, this heat exchanger can also be used to warm the flowing liquid to a desired fixed temperature. The apparatus includes a temperature control device that is placed around each pipe under test. Each device is operated under thermostatic control to maintain the outer surface of the pipe insulation at the specified test temperature. All measurements are recorded on a portable data-acquisition system.

Fesmire, James E.↗

Demand response of loads having thermal reserves

Systems and methods are described herein that improve grid performance by smoothing demand using thermal reserves. The smoothed demand can reduce peak loads as well as the ramp rate of demand that will otherwise require the use of inefficient, expensive generation sources. These improvements are tied to the selective switching on or off electrical loads that are coupled to thermal reserves, effectively using the thermal reserves as an energy storage mechanism. Historical data of past usage can be used to create load model and ensure that effects on customer comfort are minimized while still accomplishing the beneficial effects for the overall grid, which enables grid owners to both reduce their operational cost by avoiding expensive generation and improve system reliability by achieving more predictable power demand.

Ren, Wei↗