Measurement of fission gas release from irradiated U–Mo monolithic fuel samples
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Burkes, Douglas E.↗
SEARCH · Engineering Papers
Results for “CUTTING”
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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Bis(trimethylsilyl) 2-fluoromalonate derivatives as electrolyte additives for high voltage lithium ion batteries
Three trimethylsilyl based malonate esters, bis(trimethylsilyl) 2-methyl-2-fluoromalonate (BTMSMFM), bis(trimethylsilyl) 2-ethyl-2-fluoromalonate (BTMSEFM) and bis(trimethylsilyl) 2-propyl-2-fluoromalonate (BTMSPFM), have been used as additives in 1.0 M LiPF 6 /ethylene carbonate (EC)-dimethyl carbonate (DMC)-diethyl carbonate (DEC) (1-1-1, by v) baseline electrolyte for LiNi 0.80 Co 0.15 Al 0.05 O 2 (NCA) based high voltage lithium ion batteries. The NCA half-cells with 5 wt% BTMSMFM exhibit higher capacity retention than that in the baseline electrolyte at different upper cut off voltages, that is, 4.2, 4.3, 4.4 and 4.5 V vs. Li/Li + . Scanning electron microscope (SEM) show that the additive successfully prevents the formation of thick solid electrolyte interphase (SEI) films on the surface of the NCA electrodes. X-ray diffraction (XRD) further reveals that the crystal structure of NCA is also maintained in the electrolyte with 5 wt% BTMSMFM at high cut off voltages. Finally, besides beneficial to NCA cathode, the BTMSMFM additive also ensures better cycling performance of the graphite based half-cells and NCA/graphite full-cells, and thus is a promising additive for application in rechargeable lithium ion batteries.
25 ENERGY STORAGE↗
The interaction between cations and anionic groups inducing SHG enhancement in a series of apatite-like crystals: A first-principles study
It is an interesting topic to reveal the origin of the SHG intensity enhancement after substitution from alkali and alkali-earth metal atoms to cadmium in a series of apatite-like borates KSr{sub 4}(BO{sub 3}){sub 3}, Ca{sub 5}(BO{sub 3}){sub 3}F, Cd{sub 5}(BO{sub 3}){sub 3}F. Combined with the first-principles method, SHG-density method and real-space atom-cutting method, the electronic structure, the optical properties and the contribution of respective ion and ion groups have been investigated. Second harmonic generation (SHG) responses are mainly attributed to BO{sub 3} groups with π conjugated configuration and their alignment framework. The contributions of A site are more important in CaBOF and CdBOF compounds than in KSrBO. It is also demonstrated that the strong covalent interactions between the boron–oxygen groups and the cadmium atoms contribute the enhancement of SHG responses after substitution from alkali and alkali-earth metal atoms. - graphical abstract: Combined with the first-principles method, SHG-density method and real-space atom-cutting method, the enhancement of SHG response are attributed to the interaction between cadmium and BO{sub 3} groups. - Highlights: • SHG response on a series of apatite-like borates was studied by a SHG-density method. • SHG responses are mainly attributed to BO{sub 3} groups and their alignment framework. • The contributions of A site are more important in CaBOF and CdBOF than in KSrBO. • Covalent interaction between BO and Cd is responsible for SHG of CdBOF.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Immediate impact on the rim zone of cement based materials due to chemical attack
Cement based materials are in their widespread application fields exposed to various aqueous environments. This can lead to serious chemical changes affecting the durability of the materials. In particular in the context of service life prediction a detailed knowledge of the reaction mechanisms is a necessary base for the evaluation of the aggressivity of an aqueous medium and this is deduced commonly from long term investigations. However, these processes start immediately at the material/water-interface, when a cementitious system comes into contact with an aqueous solution, altering here the chemical composition and microstructure. This rim zone represents the first hurdle that has to be overcome by an attacking aqueous solution. Therefore, the properties of the surface near area should be closely associated with the further course of deterioration processes by reactive transport. In this context short term exposure experiments with hardened cement paste over 4 and 48 h have been carried out with demineralized water, hard tap water and different sulfate solutions. In order to investigate immediate changes in the near-surface region, depth profile cuts have been performed on the cement paste samples by means of focused ion beam preparation techniques. A scanning beam of Gallium ions is applied to cut a sharp edge in the cement paste surface, providing insights into the composition and microstructure of the upper ten to hundred microns. Electron microscopic investigations on such a section of the rim zone, together with surface sensitive X-ray diffraction accompanied by a detailed characterization of the bulk composition confirm that the properties of the material/water interface are of relevance for the durability of cement based systems in contact with aqueous solutions. In this manner, focused ion beam investigations constitute auspicious tools to contribute to a more sophisticated understanding of the reaction mechanisms. - Highlights: • The chemical stability is related to the properties of material/water interface. • Properties of the rim zone readjust quickly, triggered by hydrochemical conditions. • Durability research can be improved by combining FIB techniques and common analytics.
36 MATERIALS SCIENCE↗
Anisotropy in thermal conductivity of graphite flakes–SiC{sub p}/matrix composites: Implications in heat sinking design for thermal management applications
Within the frame of heat dissipation for electronics, a very interesting family of anisotropic composite materials, fabricated by liquid infiltration of a matrix into preforms of oriented graphite flakes and SiC particles, has been recently proposed. Aiming to investigate the implications of the inherent anisotropy of these composites on their thermal conductivity, and hence on their potential applications, materials with matrices of Al–12 wt.% Si alloy and epoxy polymer have been fabricated. Samples have been cut at a variable angle with respect to the flakes plane and thermal conductivity has been measured by means of two standard techniques, namely, steady state technique and laser flash method. Experimental results are presented and discussed in terms of current models, from which important technological implications for heat sinking design can be derived. - Highlights: • Anisotropy in thermal conductivity of graphite flakes-based composites is evaluated. • Samples are cut in a direction forming a variable angle with the oriented flakes. • For angles 0° and 90°, thermal conductivity does not depend on sample geometry. • For intermediate angles, thermal conductivity strongly depends on sample geometry. • “Thin” samples must be thicker than 600 μm, “thick” samples must be encapsulated.
36 MATERIALS SCIENCE↗
Structural, optical and femtosecond third-order nonlinear optical properties of LiNbO{sub 3} thin films
Highlights: • Fs third order NLO properties of LiNbO{sub 3} thin films were investigated. • Al:ZnO was used as a buffer layer to control the growth of LiNbO{sub 3}. • The magnitude of the χ{sup (3)} of all films was ∼10{sup −11} e.s.u. • χ{sup (3)} obtained here is much higher that of single crystal Z-cut LiNbO{sub 3}. - Abstract: LiNbO{sub 3} thin films were deposited by means of Al:ZnO as intermediate layer using pulsed laser deposition and their structural, linear and nonlinear optical (NLO) properties were investigated. The films were found to be polycrystalline, (110) orientation for Al:ZnO/fused silica and (300) orientation for Al:ZnO/quartz substrates. The films demonstrated a transparency of >80% in the visible and near-infrared region. The NLO studies were performed with the Z-scan technique using ∼150 fs, 80 MHz pulses at 800 nm. The studies revealed that the polycrystalline LiNbO{sub 3}films and (300) LiNbO{sub 3}films demonstrated reverse saturable absorption while a transition to saturable absorption was observed in the case of (110) LiNbO{sub 3}. The presence of two-photon absorption is attributed to the indirect transition via intermediate defect levels which is related to the structural asymmetry. The large nonlinearity in refractive index could be a result of the strain induced ferroelectric polarization. The magnitude of the third order optical nonlinearity of all films was ∼10{sup −11} e.s.u. which is orders of magnitude higher than the value obtained for single crystal Z-cut LiNbO{sub 3}.
36 MATERIALS SCIENCE↗
An end of service life assessment of PMMA lenses from veteran concentrator photovoltaic systems
The optical performance of poly(methyl methacrylate) lenses from veteran concentrator photovoltaic modules was examined after the end of their service life. Lenses from the Martin-Marietta and Intersol module designs were examined from the 'Solar Village' site near Riyadh, Saudi Arabia, as well as the Phoenix Sky Harbor airport, followed by the Arizona Public Service Solar Test and Research (APS-STaR) center in Tempe, Arizona. The various lens specimens were deployed for 20, 27, and 22 years, respectively. Optical characterizations included lens efficiency (Solar Simulator instrument), material transmittance and haze (of coupons cut from veteran lenses, then measured again after their faceted back surface was polished, and then measured again after the incident front surface was polished), and direct transmittance (as a function of detector's acceptance angle, using the Very Low Angular Beam Spread ('VLABS') instrument). Lens efficiency measurements compared the central region to the entire lens, also using hot and cold mirror measurements to diagnose differences in performance. A series of subsequent characterizations was performed because a decrease in performance of greater than 10% was observed for some of the veteran lenses. The optimal focal distance of the lenses was quantified using the Solar Simulator, and then correlated to lens curvature using a recently developed measurement technique. Surface roughness was examined using atomic force microscopy and scanning electron microscopy. Facet geometry (tip and valley radius) was quantified on cross-sectioned specimens. As a result, molecular weight was compared between the incident and faceted surfaces of the lenses.
14 SOLAR ENERGY↗
CO₂ emission mitigation and fossil fuel markets: Dynamic and international aspects of climate policies
This paper explores a multi-model scenario ensemble to assess the impacts of idealized and non-idealized climate change stabilization policies on fossil fuel markets. Under idealized conditions climate policies significantly reduce coal use in the short- and long-term. Reductions in oil and gas use are much smaller, particularly until 2030, but revenues decrease much more because oil and gas prices are higher than coal prices. A first deviation from optimal transition pathways is delayed action that relaxes global emission targets until 2030 in accordance with the Copenhagen pledges. Fossil fuel markets revert back to the no-policy case: though coal use increases strongest, revenue gains are higher for oil and gas. To balance the carbon budget over the 21st century, the long-term reallocation of fossil fuels is significantly larger—twice and more—than the short-term distortion. This amplifying effect results from coal lock-in and inter-fuel substitution effects to balance the full-century carbon budget. The second deviation from the optimal transition pathway relaxes the global participation assumption. The result here is less clear-cut across models, as we find carbon leakage effects ranging from positive to negative because trade and substitution patterns of coal, oil, and gas differ across models. In summary, distortions of fossil fuel markets resulting from relaxed short-term global emission targets are more important and less uncertain than the issue of carbon leakage from early mover action.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
Electrolytes for high-voltage lithium batteries
Here, in the aim of achieving higher energy density in lithium ion batteries (LIBs), both industry and academia show great interests in developing high-voltage LIBs (>4.3 V). However, increasing the charge cut-off voltage of the commercial LIBs causes severe degradations of both the positive electrode materials and the conventional LiPF 6 -oragnocarbonate electrolytes. Consequently, LIBs using conventional LiPF 6 -organocarbonate electrolytes suffer from a short cycle life when operated at higher charge cut-off voltages. In this review, the aging mechanisms associated with high-voltage LIBs will be analyzed and the countermeasures from the electrolyte design will be discussed.
25 ENERGY STORAGE↗
Epitaxial growth of oriented CoO films by radio-frequency sputtering deposition
Rock-salt CoO is a p-type semiconductor and its Neel temperature is close to room temperature. CoO-based compounds are known as promising systems for renewable energy harvest with high efficiency. CoO with catalytic and exchange bias properties can be widely used for industrial applications. In this paper, we report high-quality stable CoO(111) and (100) films epitaxially grown on c-cut (0001) and r-cut ($10\bar1$2) alpha-Al 2 O 3 substrates, respectively, using radio-frequency sputtering deposition. X-ray diffraction (XRD) measurements revealed that the CoO films had a rock-salt structure (Fm3m) with lattice constants of 4.2477 Å and 4.2617 Å for film grown on (0001) and ($10\bar1$2) α-Al 2 O 3 substrates, respectively. CoO films with the best crystal quality were grown at a substrate temperature of similar to ~700°C. XRD measurements of CoO(111) films indicated a lack of structural residual strain, whereas CoO(100) films had substantial amounts of structural strain. X-ray reflectivity (XRR) and transmission electron microscopy measurements showed neither oxygen vacancy nor defects in both CoO(111) and (100) films. Further, XRR revealed that the mean electron density of the CoO films was nearly identical to a pure CoO and that the films were considerably stable under the atmosphere.
36 MATERIALS SCIENCE↗
Ultra-Microtome for the Preparation of TEM Samples from Battery Cathodes
An ultra-microtome method is developed for the preparation of transmission electron microscopy (TEM) specimens from the cathodes of Li-ion battery. Results indicate that the samples prepared with the ultra-microtome method yield atomic resolution imaging from the core area of particles of hundreds to thousands of nanometers. Analysis of the TEM samples prepared with ultra-microtome indicates that no observable structural damage, such as microcracking, is introduced during the cutting process, and the cathodes cut by ultra-microtome exhibit unchanged micro-morphologies compared with the uncut ones. These results demonstrate that ultra-microtome is a promising method for the preparation of TEM specimens and revealing in-depth microstructures of fragile materials such as battery cathodes.
transmission electron microscopy, Sample Preparati↗
Co-Hydrotreatment of Yellow Greases and the Water-Insoluble Fraction of Pyrolysis Oil. Part I: Experimental Design to Increase Kerosene Yield and Reduce Coke Formation
Here, this paper reports the co-hydrotreatment of Biomass Technology Group commercial pyrolysis oil water-insoluble (WIS) phase (also known as pyrolytic lignin) and yellow greases (waste cooking oil), aiming to produce sustainable aviation fuels (SAFs). We use a sulfided NiMo/Al 2 O 3 blend with 16 wt % WIS and a central composite experimental design to identify processing conditions increasing kerosene yield and reducing coke formation. The input variables were: (1) reaction temperature (320, 350, and 380 °C), (2) initial hydrogen pressure (5, 6, and 7 MPa), and (3) amount of catalyst (0.7, 1.0, and 1.3 g). The hydrotreated oily phases were distilled to obtain gasoline (<150 °C), kerosene (150–250 °C), diesel (250–350 °C), and residual oil (>350 °C). The reaction temperature is the main factor affecting the yield of gaseous, solid, and liquid products. Meanwhile, a higher initial hydrogen pressure and catalyst loading increased the yield of kerosene and other distillates and decreased the coke formation. A high temperature correlated with a lower content of oxygenates in kerosene cuts. Based on our experimental results, we propose to conduct hydrotreatment studies at 380 °C, initial H 2 pressure of 7 MPa, and 1.3 g of catalyst. Under the identified conditions, it was possible to improve the kerosene yield to more than 20 wt % and reduce the yield of coke to close to 2.0 wt %. The chemical composition and fuel properties of the gasoline, kerosene, and diesel cuts were thoroughly analyzed. The content of aromatics and phenols in the kerosene fraction produced at the conditions identified in this project exceeded the recommended values for SAFs. New strategies (such as blending and more intense hydrotreatment to remove oxygenated compounds) need to be implemented to reduce the content of these molecules in our final product.
09 BIOMASS FUELS↗
Co-Hydrotreatment of Pyrolytic Lignin and Waste Cooking Oil to Produce Hydrocarbons
The co-hydrotreatment of pyrolysis bio-oils and vegetable oils could facilitate the integration of bioderived fuels into existing fuel infrastructures without significant modifications. Co-hydrotreatment studies with different PL/WCO blend ratios (0, 10, 20, 30, and 40 wt %) were conducted over the NiMo/γ-Al 2 O 3 catalyst. The coke formation value for WCO was 0.7 wt % and ranged between 1.5 and 2.5 wt % with the increase of pyrolytic lignin in the blend. The data suggest that coke is formed from both the sugar- and lignin-derived oligomers since the coke yield reported in this study is comparable with the coke yield obtained by coprocessing the bio-oil fraction without light oxygenate compounds, based on previous studies. All blends are recommended for co-hydrotreatment based on coke yield. The resulting organic phase was distilled into hydrocarbons at <150 °C, 150 to 250 °C, and 250 to 350 °C. The organic product’s overall hydrocarbon distribution was strongly dependent on the pyrolytic lignin concentration. The yield of the distillation cut with a boiling point range between 250 and 350 °C was higher in the hydrotreated samples, with more than 20% during distillation. Two-dimensional GC×GC was used to determine carbon distribution on the combustibles. FTIR and UV fluorescence spectra showed that most feedstocks were converted to potential combustibles for transportation applications after hydrotreatment. The distillation cuts properties, such as density, viscosity, and surface tension, were reported and compared to transportation fuel properties. Hydrocarbon yields reveal the potential of cohydrotreatment to upgrade pyrolytic lignin into valuable products. Furthermore, these findings provide useful insights into utilizing pyrolytic lignin to produce promising combustibles suitable for transportation applications.
co-hydrotreatment↗
Uranium recovery from seawater using amidoxime-based braided polymers synthesized from acrylic fibers
Global demand for nuclear energy is expected to rise in the coming decades. To meet these growing needs, new uranium resources must be explored. One of the potential alternatives to traditional uranium mining is oceanic uranium. The capture and recovery of uranium from the ocean has been under investigation for some time, with many recent studies focused on amidoxime based adsorbents. These adsorbents while able to achieve high uranium recovery capacities are, nevertheless, expensive to produce and adsorb a significant amount of hard to remove vanadium. The purpose of this study is to evaluate the adsorption performance of amidoxime based polymer braids synthesized from acrylic fibers which are designed to significantly cut polymer synthesis and conditioning costs. Adsorption experiments were performed in a recirculating raceway flume system at environmental conditions, approximately 10.8 oC, with 40-micron prefiltered seawater over 28 days for small and large sized LCW polymer braids. For both braid sizes, the adsorption of vanadium was far lower on the LCW materials than on Oak Ridge National Laboratory’s amidoxime based AF1 and AI8 small braids, with the LCW small braids outperforming both materials with respect to uranium adsorption under similar conditions. Adsorption modeling was used to simulate the performance at higher temperatures based on 20oC experiments previously performed with similar materials. Simulation results indicated that the small LCW braids would have a less significant advantage with respect to uranium adsorption over both AF1 and AI8 at 20oC and adsorb slightly less uranium than AF1 at 31oC. Vanadium adsorption by LCW small braids was less than one third of vanadium adsorption by either AF1 or AI8 for all temperatures. This behavior indicates that the LCW materials are able to achieve comparable uranium adsorption to other amidoxime adsorbents previously developed, while being cheaper to produce and adsorbing significantly less vanadium.
Wiechert, Alexander I.↗
Benders Decomposition Using Graph Modeling and Multi-Parametric Programming
Benders decomposition is a widely used method for solving large and structured optimization problems, but its performance is affected by the repeated solution of subproblems. We propose a flexible and modular algorithmic framework for accelerating Benders decomposition. Specifically, we express the problem structure by using a graph-theoretic modeling abstraction in which nodes represent optimization subproblems and edges represent connectivity between subproblems. A key innovation of our approach is that we embed multiparametric programming (mp) surrogates for node subproblems, which maps the exact analytical map of the subproblem solution space. The use of mp surrogates allows us to replace subproblem solves with fast look-ups and function evaluations for primal and dual variables during the iterative Benders process. We formally show the equivalence between classical Benders cuts and those derived from the mp solution. We implement our framework in the open-source PlasmoBenders.jl software package. To demonstrate the capabilities of the proposed framework, we apply it to a two-stage stochastic programming problem, which aims to make optimal capacity expansion decisions under market uncertainty. We evaluate both single-cut and multicut variants of Benders decomposition and show that the use of mp surrogates achieves substantial speedups in subproblem solve time, while preserving the convergence guarantees of Benders decomposition. We highlight advantages in solution analysis and interpretability that is enabled by mp critical region tracking; specifically, we show that these reveal how decisions evolve geometrically across the Benders search. Our results aim to demonstrate that combining surrogate modeling with graph modeling offers a promising and extensible foundation for structure-exploiting decomposition. In addition, by decomposing the problem into more tractable subproblems, the proposed approach also aims to overcome scalability issues of mp. Finally, the use of mp surrogates provides a unifying and modular optimization framework that enables the representation of heterogeneous node subproblems as modeling objects with a homogeneous structure.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Detailed Characterization of a Nanosecond-Lived Excited State: X-ray and Theoretical Investigation of the Quintet State in Photoexcited [Fe(terpy) 2 ] 2+
Theoretical predictions show that depending on the populations of the Fe 3dxy, 3dxz, and 3dyz orbitals two possible quintet states can exist for the high-spin state of the photoswitchable model system [Fe(terpy)2]2+. The differences in the structure and molecular properties of these 5B2 and 5E quintets are very small and pose a substantial challenge for experiments to resolve them. Yet for a better understanding of the physics of this system, which can lead to the design of novel molecules with enhanced photoswitching performance, it is vital to determine which high-spin state is reached in the transitions that follow the light excitation. The quintet state can be prepared with a short laser pulse and can be studied with cutting-edge time-resolved X-ray techniques. Here we report on the application of an extended set of X-ray spectroscopy and scattering techniques applied to investigate the quintet state of [Fe(terpy)2]2+ 80 ps after light excitation. High-quality X-ray absorption, nonresonant emission, and resonant emission spectra as well as X-ray diffuse scattering data clearly reflect the formation of the high-spin state of the [Fe(terpy)2]2+ molecule; moreover, extended X-ray absorption fine structure spectroscopy resolves the Fe-ligand bond-length variations with unprecedented bondlength accuracy in time-resolved experiments. With ab initio calculations we determine why, in contrast to most related systems, one configurational mode is insufficient for the description of the low-spin (LS)-high-spin (HS) transition. We identify the electronic structure origin of the differences between the two possible quintet modes, and finally, we unambiguously identify the formed quintet state as 5E, in agreement with our theoretical expectations.
Vankó, György↗
Improving the Electrochemical Performance and Structural Stability of LiNi0.8Co0.15Al0.05O2 Cathode Material at High Voltage Charging through Ti Substitution
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99 GENERAL AND MISCELLANEOUS↗