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At least 505 records · Page 28

Synthesis, characterization and optical properties of hybrid PVA–ZnO nanocomposite: A composition dependent study

Graphical abstract: - Highlights: • ZnO nanoparticles were prepared by solution combustion method. • PVA–ZnO nanocomposites were synthesized by solution casting method. • Doped and undoped films were characterized using different techniques. • Red shift in optical band gap was observed in Nanocomposite films with respect to nano ZnO. • Photoluminescence intensity was found to be optimum for PVA–10 mol% ZnO nanocomposite film. - Abstract: Nanocomposites of poly vinyl alcohol (PVA) and ZnO have been synthesized using the solution casting technique for different concentrations of nano ZnO powder prepared by low temperature solution combustion method. The formation of polymer nanocomposite and changes in the structural and micro structural properties of the materials were investigated by X-ray diffraction, Energy dispersive X ray spectroscopy and optical microscopy techniques (FTIR and UV–Visible). The surface morphology of PVA–ZnO nanocomposite films were elucidated using Scanning Electron Microscopy. The optical absorption spectrum of nano ZnO shows blue shift in the optical band gap energy with respect to characteristic bulk ZnO at room temperature, whereas PVA–ZnO hybrid films show red shift with respect to nano ZnO. The photoluminescence studies show that the intensity of the blue emission (470 nm) varies with change in concentration of ZnO with an optimum intensity observed at 10 mol% of ZnO.

36 MATERIALS SCIENCE↗

Uncertainty quantification of a deep learning fuel property prediction model

Deep learning models are being widely used in the field of combustion. Given the black-box nature of typical neural network based models, uncertainty quantification (UQ) is critical to ensure the reliability of predictions as well as the training datasets, and for a principled quantification of noise and its various sources. Deep learning surrogate models for predicting properties of chemical compounds and mixtures have been recently shown to be promising for enabling data-driven fuel design and optimization, with the ultimate goal of improving efficiency and lowering emissions from combustion engines. In this study, UQ is performed for a multi-task deep learning model that simultaneously predicts the research octane number (RON), Motor Octane Number (MON), and Yield Sooting Index (YSI) of pure components and multicomponent blends. The deep learning model is comprised of three smaller networks: Extractor 1, Extractor 2, and Predictor, and a mixing operator. The molecular fingerprints of individual components are encoded via Extractor 1 and Extractor 2, the mixing operator generates fingerprints for mixtures/blends based on linear mixing operation, and the predictor maps the fingerprint to the target properties. Two different classes of UQ methods, Monte Carlo ensemble methods and Bayesian neural networks (BNNs), are employed for quantifying the epistemic uncertainty. Combinations of Bernoulli and Gaussian distributions with DropConnect and DropOut techniques are explored as ensemble methods. All the DropConnect, DropOut and Bayesian layers are applied to the predictor network. Aleatoric uncertainty is modeled by assuming that each data point has an independent uncertainty associated with it. The results of the UQ study are further analyzed to compare the performance of BNN and ensemble methods. Although this study is confined to UQ of fuel property prediction, the methodologies are applicable to other deep learning frameworks that are being widely used in the combustion community.

33 ADVANCED PROPULSION SYSTEMS↗

Annual Report FY2014 Alternative Fuels DISI Engine Research

Due to concerns about future petroleum supply and accelerating climate change, increased engine efficiency and alternative fuels are of interest. This project contributes to the science-base needed by industry to develop highly efficient DISI engines that also beneficially exploit the different properties of alternative fuels. Lean operation is studied since it can provide higher efficiencies than traditional non-dilute stoichiometric operation. Since lean operation can lead to issues with ignition stability, slow flame propagation and low combustion efficiency, focus is on techniques that can overcome these challenges. Specifically, fuel stratification can be used to ensure ignition and completeness of combustion, but may lead to soot and NO x emissions challenges. Advanced ignition system and intake air preheating both promote ignition stability. Controlled end-gas autoignition can be used maintain high combustion efficiency for ultra-lean well-mixed conditions. However, the response of both combustion and exhaust emission to these techniques depends on the fuel properties. Therefore, to achieve optimal fuel-economy gains, the combustion-control strategies of the engine must adopt to the fuel being utilized.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Crystallite-growth, phase transition, magnetic properties, and sintering behaviour of nano-CuFe{sub 2}O{sub 4} powders prepared by a combustion-like process

The synthesis of nano-crystalline CuFe{sub 2}O{sub 4} powders by a combustion-like process is described herein. Phase formation and evolution of the crystallite size during the decomposition process of a (CuFe{sub 2})—precursor gel were monitored up to 1000 °C. Phase-pure nano-sized CuFe{sub 2}O{sub 4} powders were obtained after reaction at 750 °C for 2 h resulting in a crystallite size of 36 nm, which increases to 96 nm after calcining at 1000 °C. The activation energy of the crystallite growth process was calculated as 389 kJ mol{sup −1}. The tetragonal⇄cubic phase transition occurs between 402 and 419 °C and the enthalpy change (ΔH) was found to range between 1020 and 1229 J mol{sup −1} depending on the calcination temperature. The optical band gap depends on the calcination temperature and was found between 2.03 and 1.89 eV. The shrinkage and sintering behaviour of compacted powders were examined. Dense ceramic bodies can be obtained either after conventional sintering at 950 °C or after a two-step sintering process at 800 °C. Magnetic measurements of both powders and corresponding ceramic bodies show that the saturation magnetization rises with increasing calcination-/sintering temperature up to 49.1 emu g{sup −1} (2.1 µ{sub B} fu{sup −1}), whereas the coercivity and remanence values decrease. - Graphical abstract: A cheap one-pot synthesis was developed to obtain CuFe{sub 2}O{sub 4} nano-powders with different crystallite sizes (36–96 nm). The optical band gaps, phase transition temperatures and enthalpies were determined depending on the particle size. The sintering behaviour of nano CuFe{sub 2}O{sub 4} was studied in different sintering procedures. The magnetic behaviour of the nano-powders as well as the corresponding ceramic bodies were investigated. - Highlights: • Eco-friendly and simple synthesis for nano CuFe{sub 2}O{sub 4} powder using starch as polymerization agent. • Monitoring the phase evolution and crystallite growth kinetics during the synthesis. • Determination of the optical band gap, phase transition temperature, and enthalpy change. • Sintering behaviour of nano-sizes CuFe{sub 2}O{sub 4}. • Magnetic behaviour of CuFe{sub 2}O{sub 4} powders and ceramics depending on their particle size.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advanced Combustion

The activity reported in this presentation is to provide the mechanical and physical property information needed to allow rational design, development and/or choice of alloys, manufacturing approaches, and environmental exposure and component life models to enable oxy-fuel combustion boilers to operate at Ultra-Supercritical (up to 650{degrees}C & between 22-30 MPa) and/or Advanced Ultra-Supercritical conditions (760{degrees}C & 35 MPa).

36 MATERIALS SCIENCE↗

Magnetocaloric Effect in BiFe{sub 1−x}Zn{sub x}O{sub 3} Multiferroics

Ceramic BiFe{sub 1−x}Zn{sub x}O{sub 3} multiferroic samples were prepared by the solid combustion method for x = 0.1, 0.15, and 0.2. Structural, magnetic, and magnetocaloric properties of the multiferroics have been studied. For all samples, an antiferromagnetic phase transition is observed in the region of 630 K. With increase in x, the reduction in magnitude of magnetization and Neel temperature is observed. The magnetocaloric properties, entropy, relative cooling power, and heat capacity have been calculated within the framework of thermodynamic theory. It has been established that the maximum changes of magnetocaloric properties of multiferroics are observed in the region of magnetic phase transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analysis of combustion acoustic phenomena in compression–ignition engines using large eddy simulation

As computational capabilities continue to grow, exploring the limits of computational fluid dynamics to capture complex and elusive phenomena, which are otherwise difficult to study by experimental techniques, is one of the main targets for the research community. This paper presents a detailed analysis of the physical processes that lead to combustion noise emissions in internal combustion engines. In particular, diesel combustion in a compression-ignition (CI) engine is studied in order to understand the singular behavior of the in-cylinder flow field responsible for the acoustic emissions. The main objective is, therefore, to improve the understanding of the phenomena involved in CI engine noise using large eddy simulations. Several visualization methods are employed to investigate the connection between combustion behavior and its effects on the pressure field. In addition, proper orthogonal decomposition is used to analyze the modal energy distribution among all the acoustic modes. The results show that the acoustic signature is fundamentally conditioned by the intensity of the premixed combustion rather than by the pressure oscillations generated by turbulent fluctuations in the flame surface established during the diffusion stage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Laser modification of frictional surfaces

Improvement in the physicomechanical properties and frictional characteristics of cylinder and piston surfaces in airplane internal-combustion engines is considered. A method of developing recommendations regarding the optimization of laser treatment is proposed on the basis of experiments and a model of surface wear.

42 ENGINEERING↗

Spray and combustion characteristics of pure hydrothermal liquefaction biofuel and mixture blends with diesel

Hydrothermal liquefaction (HTL) is the process in which biological compounds can be converted into biocrude diesel; various feedstocks, such as algae and wet biowaste, can be utilized. Almost 20 million dry tons of wet biowaste is deposited in U.S. municipal wastewaters annually. If recovered and converted into biodiesel, it can act as a massive source of renewable energy. Preliminary experiments on a diesel engine show that HTL fuel can achieve similar performance and emission levels to diesel. In order to further understand the influence of the HTL fuel properties, the HTL fuel and blends with diesel are observed in a constant volume chamber. Previously, 10% and 20% of the HTL fuel were blended with diesel by volume and demonstrated properties that roughly matched diesel in terms of combustion. In this study, 50% and 100% HTL fuel blends are tested on the same apparatus. It was discovered that the workability of HTL is almost the same as that of diesel and is less sensitive to ambient temperatures. When the ambient temperature is reduced from 1200 K to 800 K, the change ratio of ignition delay is only 62% of diesel. By analyzing the combustion process, it can be seen that there is no need to make major modifications to the engine control strategy if HTL fuel is applied to diesel engines. Though, under low temperature and low oxygen conditions, the soot luminosity peak of HTL100 is 3.12 times than that of diesel.

09 BIOMASS FUELS↗

FY2015 Annual Report for Alternative Fuels DISI Engine Research.

Climate change and the need to secure energy supplies are two reasons for a growing interest in engine efficiency and alternative fuels. This project contributes to the science-base needed by industry to develop highly efficient DISI engines that also beneficially exploit the different properties of alternative fuels. Our emphasis is on lean operation, which can provide higher efficiencies than traditional non-dilute stoichiometric operation. Since lean operation can lead to issues with ignition stability, slow flame propagation and low combustion efficiency, we focus on techniques that can overcome these challenges. Specifically, fuel stratification is used to ensure ignition and completeness of combustion but has soot- and NOx- emissions challenges. For ultralean well-mixed operation, turbulent deflagration can be combined with controlled end-gas auto-ignition to render mixed-mode combustion that facilitates high combustion efficiency. However, the response of both combustion and exhaust emissions to these techniques depends on the fuel properties. Therefore, to achieve optimal fuel-economy gains, the engine combustion-control strategies must be adapted to the fuel being utilized.

10 SYNTHETIC FUELS↗

Impacts of advanced diesel combustion operation and fuel formulation on soot nanostructure and reactivity

Advanced diesel combustion, accomplished via a single pulse fuel injection and high levels of exhaust gas recirculation (referred to as “PCCI”, partially-premixed charge compression ignition), is shown to be a path to reduce oxides of nitrogen and particulate matter simultaneously. This is well established in the literature. Less established is the extent to which such dilute combustion processes influence soot formation and affect soot that is emitted from diesel engines under such combustion modes. This work focuses on characterization of the nanostructure and oxidative reactivity of soot generated by a light-duty turbodiesel engine operating under a PCCI combustion mode, a dilute, low-temperature combustion process. Previous work on a type of PCCI combustion, referred to as high-efficiency clean combustion (HECC), showed soot samples having a fullerenic nanostructure, characterized by high levels of tortuosity of the fringe layers as seen in transmission electron micrograph images and as quantified using an image processing algorithm. Thermogravimetric analysis of the HECC mode soot samples showed that they displayed higher rates of oxidation than soot samples from a conventional diesel combustion mode. The present work returns to PCCI combustion, considering the timing of the main fuel injection, and the effects of operating on fuels rich in n-alkanes, particularly a fuel produced from a low temperature Fischer-Tropsch process (LTFT) and a renewable diesel fuel (RD) produced via hydrodeoxygenation of a plant oil. PCCI combustion conditions yield soot that shows higher reactivity compared to soot from the conventional combustion mode regardless of fuel type. LTFT and RD fuels produce soots with lower reactivity compared to ULSD. Soots produced from PCCI combustion have higher surface oxygen concentration and higher proportion of amorphous carbon. In addition, TEM images show that PCCI soots from all three fuels have smaller primary particle and particle aggregate sizes, and smaller graphene layers. These properties explain the higher reactivity of soot from PCCI combustion. The less reactive soots, which are produced from LTFT and RD fuel under conventional combustion, show internal burning during oxidation. However, soots with higher reactivity which are produced from late injection PCCI combustion and ULSD show shrinking core oxidation, most likely because of their overall amorphous structure.

42 ENGINEERING↗

FY 2019 DOE-EERE Materials Vehicle Technologies Office Consolidated Report

The Materials Technology Program supports the Vehicle Technologies Office’s mission to help consumers and businesses reduce their transportation energy costs while meeting or exceeding vehicle performance expectations. The propulsion materials research portfolio seeks to develop higher performance materials that can withstand increasingly extreme environments and address the future properties needed for a variety of high-efficiency powertrain types, sizes, fueling concepts, and combustion modes. The lightweight materials research portfolio enables improvements in fuel economy by providing properties that are equal to or better than traditional materials at a lower weight. Because it takes less energy to accelerate a lighter object, replacing cast-iron and traditional steel components with lightweight materials such as advanced high-strength steels, magnesium alloys, aluminum alloys, and fiber-reinforced polymer composites can directly reduce a vehicle’s fuel consumption. By 2025, Materials Technology research activities seek to enable a 25% weight reduction of the glider for light-duty vehicles including body, chassis, and interior as compared to a 2015 baseline at no more than a $5/lb-saved increase in cost.

99 GENERAL AND MISCELLANEOUS↗

FY2019 Materials Annual Progress Report

The Materials Technology Program supports the Vehicle Technologies Office’s (VTO’s) mission to help consumers and businesses reduce their transportation energy costs while meeting or exceeding vehicle performance expectations. The propulsion materials research portfolio seeks to develop higher performance materials that can withstand increasingly extreme environments and address the future properties needed for a variety of high-efficiency powertrain types, sizes, fueling concepts, and combustion modes. The lightweight materials research portfolio enables improvements in fuel economy by providing properties that are equal to or better than traditional materials at a lower weight. Because it takes less energy to accelerate a lighter object, replacing cast-iron and traditional steel components with lightweight materials such as advanced high-strength steels, magnesium (Mg) alloys, aluminum (Al) alloys, and fiber-reinforced polymer composites can directly reduce a vehicle’s fuel consumption. By 2025, Materials Technology research activities seek to enable a 25% weight reduction of the glider for light-duty (LD) vehicles including body, chassis, and interior as compared to a 2015 baseline at no more than a $5/lb-saved increase in cost.

33 ADVANCED PROPULSION SYSTEMS↗

FY2020 Materials Annual Progress Report

The Materials Technology subprogram supports the Vehicle Technologies Office’s (VTO’s) mission to accelerate the deployment of clean energy technology toward achieving net-zero emissions in the transportation sector. The Propulsion Materials research portfolio seeks to develop higher performance materials that can withstand increasingly extreme environments and address the future properties needed for a variety of high-efficiency powertrain types, sizes, fueling concepts, and combustion modes. The Lightweight Materials research portfolio enables improvements in fuel economy by providing properties that are equal to or better than traditional materials at a lower weight. Because it takes less energy to accelerate a lighter object, replacing cast-iron (Fe) and traditional steel components with lightweight materials—such as advanced high-strength steels (AHSS), magnesium (Mg) alloys, aluminum (Al) alloys, and fiber-reinforced polymer composites—can directly reduce a vehicle’s fuel consumption. By 2025, the Materials Technology research activities seek to enable a 25% weight reduction of the glider for light-duty (LD) vehicles including body, chassis, and interior as compared to a 2015 baseline at no more than a $5/lb-saved increase in cost.

33 ADVANCED PROPULSION SYSTEMS↗

Effect of Co doping on the structural and dielectric properties of ZnO nanoparticles

This paper reports on the synthesis of Co doped Zn{sub 1-x}Co{sub x}O (x= 0.0, 0.01, 0.02, 0.03 and 0.05) nanoparticles by solution combustion method using urea as a fuel. The Structural and dielectric properties of the samples were studied. Crystallite sizes were obtained from X-ray diffraction (XRD) patterns whose values decreased with increase in Co concentration. The XRD study reveals that Co{sup 2+} ions substitute the Zn{sup 2+} ion without changing the wurtzite structure of pristine ZnO up to Co concentrations of 5%. The dielectric constants, dielectric loss (tanδ) and ac conductivity (σ{sub ac}) were studied as the function of frequency and composition, which have been explained by Maxwell-Wagner type interfacial polarization and discussed Koops phenomenological theory.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

The Extraction of One-Dimensional Flow Properties from Multi-Dimensional Data Sets

The engineering design and analysis of air-breathing propulsion systems relies heavily on zero- or one-dimensional properties (e.g. thrust, total pressure recovery, mixing and combustion efficiency, etc.) for figures of merit. The extraction of these parameters from experimental data sets and/or multi-dimensional computational data sets is therefore an important aspect of the design process. A variety of methods exist for extracting performance measures from multi-dimensional data sets. Some of the information contained in the multi-dimensional flow is inevitably lost when any one-dimensionalization technique is applied. Hence, the unique assumptions associated with a given approach may result in one-dimensional properties that are significantly different than those extracted using alternative approaches. The purpose of this effort is to examine some of the more popular methods used for the extraction of performance measures from multi-dimensional data sets, reveal the strengths and weaknesses of each approach, and highlight various numerical issues that result when mapping data from a multi-dimensional space to a space of one dimension.

Baurle, Robert A.↗

Influence of pH on the structural and magnetic behavior of cobalt ferrite synthesized by sol-gel auto-combustion

Cobalt ferrite (CoFe{sub 2}O{sub 4}) shown to be promising candidate for applications such as high-density magnetic recording, enhanced memory storage, magnetic fluids and catalysts. Utility of ferrite nanoparticles depends on its size, dispersibility in solutions, and magnetic properties. We have investigated the structural properties of synthesized cobalt ferrite nanoparticles synthesized by sol gel auto combustion for uncontrolled, acidic, neutral and basic pH values. X-ray diffraction (XRD) study confirms the cubic spinel phase formation with lattice constant 8.38 Å. In this study, we have optimized the pH value to synthesize homogenous cobalt ferrite nanoparticles with enhanced magnetic behavior. The surface morphology has been investigated by employing SEM images and the confirmation of spinel ferrite was also supported by using IR spectroscopy. Magnetic measurements for CoFe{sub 2}O{sub 4} compositions (with pH <1, pH = 3, 7, 10) were investigated using VSM measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Multidimensional modeling of non-equilibrium plasma generated by a radio-frequency corona discharge

Low-temperature plasma (LTP) ignition concepts rely on the production of radical and charged species to speed up the onset of combustion in spark-ignition engines. These features are responsible for the superior performance of LTP igniters under extremely dilute combustion operation that is not achievable by conventional spark igniters. Additionally, LTP discharges extend the lifetime of the igniters, due to the avoidance of spark processes. For these reasons, the engine research community and the automotive industry have shown growing interest in this technology in the recent years. As of today, computational fluid-dynamics (CFD) codes typically used by the multi-dimensional engine modeling community do not have reliable models to describe LTP ignition processes. One key missing piece of information is the physical and chemical properties of the plasma and their effect on combustion ignition. Most non-equilibrium plasma simulations reported in literature are based on simplified, canonical geometries, with simple discharge excitation schemes. Here we conduct multi-dimensional modeling of the non-equilibrium plasma generated by an application-relevant radio-frequency (RF) corona discharge in air. Three test cases are simulated, characterized by different environmental pressure levels and peak electrode voltage values at room temperature. Streamer penetration, electron number density, atomic oxygen production, and bulk gas temperature distribution in the first 10 sinusoidal pulses are presented and discussed. This model can be used as a key tool for an in-depth understanding of RF-corona discharge for automotive applications and provides the basis for future implementations of dedicated LTP ignition models in CFD codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗