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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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At least 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Hopes Beyond PET Recycling: Environmentally Clean and Engineeringly Applicable

Disposal of plastics in the environment has become a core of anxiety in developing countries, while in the developed countries the focus has additionally been placed on design and manufacture of emerging products from plastic wastes—a somewhat vague yet promising horizon. Central to environmental concerns are poly(ethylene terephthalate) (PET) wastes, mainly from post-consumer bottles. Because of a considerable drop in molecular weight in the course of recycling, recycled PETs are not suitable for engineering uses. An efficient yet reasonably green synthesis route is employed here to convert PET wastes into polyurethane, and then carbon nanotubes (CNTs) was added at different levels to obtain nanocomposites with high mechanical properties. The effects of isocyanate (NCO)/hydroxyl (OH) molar ratio and CNTs content on the morphology, physical and mechanical properties were discussed. Chemical/physical crosslink density was calculated from initial slope of stress–strain curves, Mooney–Rivlin plots, strain-hardening modulus, rubbery-plateau storage modulus and swelling data. High tensile strength (300 MPa) and breaking elongation (160%) of polyurethane/CNTs nanocomposites born from PET wastes seemed promising. Microscopic analyses by AFM, SEM, and TEM gave useful information about distribution of CNTs in polyurethane. Lastly, structural changes were correlated to mechanical properties improvement.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Thermal, Rheological and Mechanical Properties of PETG/rPETG Blends

This paper presents the reuse process of post-consumer printed foils made of glycol-modified poly(ethylene terephthalate) (PETG). Fourier-transform infrared spectroscopy and a scanning electron microscope confirmed that these foils consist of PETG and PS layers. Firstly, foil pieces were immersed in the organic solution to remove all prints and after washing and drying they were extruded into regranulate rPETG pellets. Three types of PETG/rPETG blends were fabricated with the addition of 10, 20 and 30 wt% of virgin PETG. Microscopic analysis of the blends confirmed their homogeneity, as was also shown by the fact that there was only one glass transition peak in the heating curve given by differential scanning calorimetry. Moreover, in the presence of fresh PETG the degradation temperatures of rPETG improved significantly, and the viscosity of all blends was reduced as a result of shortened macromolecule chains in rPETG. Mechanical analysis of the materials showed that all blends have comparable tensile strength and a Young’s modulus that is higher than rPETG but lower than virgin PETG. Elongation at break decreases together with the content of rPETG.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A Low-Cost Fabrication Technique for the Growth of Single-Domain GdBCO Bulk Superconductor from Raw Metal Oxides

A single-domain GdBCO bulk superconductor is usually fabricated using a mixture of pre-reacted precursor powders (including GdBa{sub 2}Cu{sub 3}O{sub 7−δ} and Gd{sub 2}BaCuO{sub 5}) by the top-seeded melt texture growth (TSMTG) process. However, the synthesis of pure-phase precursor powder by the solid-state sintering reaction can not only consume time for weeks but also prolong the fabrication process and can lead to a low-efficiency and high-cost process. In this paper, we reported the successful growth of single-domain GdBCO bulk superconductors by the top-seeded metallic oxide melt growth (TS-MOMG) process in which the raw materials of Gd{sub 2}O{sub 3}, BaO, and CuO, the three different metallic oxides, are just involved to fabricate the single-domain GdBCO bulk superconductors. After detailed investigations in the morphology, levitation force, trapped magnetic field, and critical temperature of the grown samples with different ratios, it was found that the simplified precursor-phase source can be used to fabricate the single-domain GdBCO bulk superconductors more efficiently, which can combine the crystal growth procedure and greatly economize the preparation cost and the time to the most extent.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Determining HPGe Total Detection Efficiency Using γ–γ Coincidence

Abstract Both the peak and total detection efficiencies are generally needed in order to calculate sample activity from a gamma spectroscopic measurement, except in the case of isotope specific calibration. This is particularly true when the sample is in close proximity to the detector and corrections for cascade summing effects are required to avoid significant inaccuracy in the result. These corrections use the total detection efficiency to correct for summing-in and summing-out events, and the extent of the correction depends on both the geometry and the gamma cascade for the isotope in question. Experimentally determining the total efficiency is a labor intensive endeavor requiring multiple measurements with a set of single-gamma-emitting standards. Modeling the total efficiency vs. energy may be less time consuming, but is also likely to produce less confidence in the final result. Pacific Northwest National Laboratory's Radiation Detection and Nuclear Sciences group has constructed a low background 14-crystal HPGe array for sample measurement; in all measurements, samples will be in close proximity to the germanium crystals. This close geometry and the sheer number efficiency calibrations required for the system have led us to investigate methods to simplify the efficiency calibration procedure. One method we are developing uses the Y-Y coincidence plane to isolate Compton scattering event populations, allowing experimental determination of total detection efficiency values from the measurement of a single mixed isotope standard. A description of the analysis and experimental results of this method are presented.

low background HPGe High Purity Germanium detector↗
DOE OSTI2020

An improved method for uranium separation from urine for rapid bioassay by inductively coupled plasma mass spectrometry

Bioassay monitoring is an important capability for any facility that works with significant amounts of radioactive material. The speed at which these analyses can be made is critical in the event of a potential exposure. Here, we present a new method that facilitates the rapid separation of uranium from a urine matrix for assay and isotopic determination by inductively coupled plasma mass spectrometry. This method is validated with archived urine samples that were previously analyzed using established, more time consuming methods. The sources of uncertainty for uranium assay and isotopic measurements are modelled using the Monte Carlo method to better understand the precision and accuracy of this method at the limit of quantification.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Total Mercury Analysis of Radioactive Waste Containing Multiple Mercury Species

In this work, a direct mercury analyzer (DMA) was used to analyze total mercury in radioactive waste samples containing methylmercury and other forms of mercury including Hg o (elemental) together with inorganic ionic mercury species and complexes. These samples were also analyzed using Cold Vapor Atomic Absorption Spectroscopy (CVAAS) and/or Inductively Coupled Plasma Mass Spectroscopy (ICMS). Comparative statistical evaluation of the results from spike solutions/simulants, liquid radioactive waste samples, and interlaboratory performance test samples demonstrated that the various methods generated accurate and/or equivalent total mercury data and equivalent precision (2σ ± < 20%). Triplicate total mercury analysis of an exemplar radioactive waste resulted in an average value of 54.1 mg/L (as Hg) using CVAAS, 55.1 mg/L using ICPMS and 56.0 mg/L using DMA. A primary advantage of the DMA in a radioactive environment is avoiding multi-step, labor-intensive, time-consuming and waste-producing sample preparation protocols needed for CVAAS and ICPMS. DMA was determined to be the preferred method for measuring total mercury in the Savannah River National Laboratory (SRNL) radioanalytical laboratory based on analytical performance combined with ease of use in a radiological containment unit.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Powering DNA strand-displacement reactions with a continuous flow reactor

Living systems require a sustained supply of energy and nutrients to survive. These nutrients are ingested, transformed into low-energy waste products, and excreted. In contrast, synthetic DNA strand-displacement reactions typically run within closed systems provided with a finite initial supply of reactants. Once the reactants are consumed, all net reactions halt and the system ceases to function. In the study, we ran DNA strand-displacement reactions in a continuous flow reactor, infusing fresh reactants and withdrawing waste, enabling the system to dynamically update its outputs in response to changing inputs. Running DNA strand-displacement reactions inside of continuous flow reactors allows the system to be re-used for multiple rounds of computation, which could enable the execution of more elaborate information processing tasks, including single-rail negation and sequential logic circuits.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Water Footprints of Cassava- and Molasses-Based Ethanol Production in Thailand

The Thai government has been promoting renewable energy as well as stimulating the consumption of its products. Replacing transport fuels with bioethanol will require substantial amounts of water and enhance water competition locally. This study shows that the water footprint (WF) of molasses-based ethanol is less than that of cassava-based ethanol. The WF of molasses-based ethanol is estimated to be in the range of 1,510-1,990 L water/L ethanol, while that of cassava-based ethanol is estimated at 2,300-2,820 L water/L ethanol. Approximately 99% of the water in each of these WFs is used to cultivate crops. Ethanol production requires not only substantial amounts of water but also government interventions because it is not cost competitive. In Thailand, the government has exploited several strategies to lower ethanol prices such as oil tax exemptions for consumers, cost compensation for ethanol producers, and crop price assurances for farmers. For the renewable energy policy to succeed in the long run, the government may want to consider promoting molasses-based ethanol production as well as irrigation system improvements and sugarcane yield-enhancing practices, since molasses-based ethanol is more favorable than cassava-based ethanol in terms of its water consumption, chemical fertilizer use, and production costs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Modeling in High Temperature Corrosion: A Review and Outlook

Realizing higher operating temperatures to increase efficiency of future applications for energy conversion and storage while minimizing cost is a challenge for development of high-temperature materials. Simultaneous optimization of mechanical properties and corrosion resistance continues to be a difficult task but is essential due to the need to significantly accelerate the transition between technology readiness levels in the future. Furthermore, oxidation-induced degradation will be a critical life-limiting mechanism at increased operating temperatures. Suitable high-temperature materials cannot be solely identified by time-consuming experiments and reliable computational methods incorporating the relevant physics of processes must be considered to complement the experimental efforts. In the present work, a review of the methods employed to model oxidation-induced material degradation described in literature will be discussed. Furthermore, their capability to predict lifetime and aid in material selection will be evaluated.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Reaction Pathways and Energy Consumption in NH 3 Decomposition for H 2 Production by Low Temperature, Atmospheric Pressure Plasma

Pathways for NH 3 decomposition to N 2 and N 2 H 4 by atmospheric pressure nonthermal plasma are analyzed using a combination of molecular beam mass spectrometry measurements and zero-dimensional kinetic modeling. Experimental measurements show that NH 3 conversion and selectivity towards N 2 formation scale monotonically with the specific energy input into the plasma with ~ 100% selectivity to N 2 formation achieved at specific energy inputs above 0.12 J cm −3 (3.1 eV (molecule NH 3 ) −1 ). The kinetic model recovers these trends, although it underpredicts N 2 selectivity at low specific energy input. These discrepancies can be explained by the underestimation of reaction rate coefficients for reactions that consume N 2 H x species in collisions with H radicals and/or radial nonuniformities in power deposition, gas temperature, and species concentrations that are not represented by the plug flow approximation used in the model. The kinetic model shows that N 2 formation proceeds through N 2 H x decomposition pathways rather than NH x decomposition pathways in low temperature, atmospheric pressure plasma. Higher selectivity toward N 2 production can be achieved by operating at higher NH 3 conversion and with a higher gas temperature. Furthermore, the high energy cost of NH 3 decomposition by atmospheric pressure nonthermal plasma found in this work (25–50 eV (molecule NH 3 converted) −1 ; 17–33 eV (molecule H 2 formed) −1 ) is a result of the energy requirement for electron-impact dissociation of NH 3 and the significant re-formation of NH 3 by three-body recombination reactions between NH 2 and H.

Nonthermal plasma↗
DOE OSTI2014

Disaster-survivable cloud-network mapping

Cloud-computing services are provided to consumers through a network of servers and network equipment. Cloud-network (CN) providers virtualize resources [e.g., virtual machine (VM) and virtual network (VN)] for efficient and secure resource allocation. Disasters are one of the worst threats for CNs as they can causemassive disruptions and CN disconnection. A disaster may also induce post-disaster correlated, cascading failures which can disconnect more CNs. Survivable virtual-network embedding (SVNE) approaches have been studied to protect VNs against single physical-link/- node and dual physical-link failures in communication infrastructure, but massive disruptions due to a disaster and their consequences can make SVNE approaches insufficient to guarantee cloud-computing survivability. In this work, we study the problem of survivable CN mapping from disaster. We consider risk assessment, VM backup location, and post-disaster survivability to reduce the risk of failure and probability of CN disconnection and the penalty paid by operators due to loss of capacity.We formulate the proposed approach as an integer linear program and study two scenarios: a natural disaster, e.g., earthquake and a human-made disaster, e.g., weapons-of-mass-destruction attack. Finally, our illustrative examples show that our approach reduces the risk of CN disconnection and penalty up to 90% compared with a baseline CN mapping approach and increases the CN survivability up to 100% in both scenarios.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A new approach for the acceleration of large-scale serial quantum chemical calculations of docking complexes

A new approach to radical accelerate large-scale quantum chemical calculations of docking complexes, which require large computational times, is proposed. It takes into account the local nature of protein interaction with ligands and is based on a formation of special groups of atoms, which include the compactly located ligands and the protein atoms surrounding them. The procedure based on this approach allowed more than twice to reduce the time of a very resource-consuming calculation with respect to our previous high-speed semi-empirical method without a noticeable decrease in accuracy and provided a level of the time consumption appropriate for the large-scale serial calculations of such complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Kinetic model of ethylene oxidation by p-benzoquinone in solutions of cationic palladium(II) complexes in a binary acetonitrile—water solvent

A kinetic model was developed for the reaction of ethylene oxidation to acetaldehyde by p-benzoquinone (Q) at 30 ℃ catalyzed by the cationic palladium(II) complexes in a binary acetonitrile—water solvent at a molar fraction of water of 0.67. The three-route mechanism was proposed that adequately describes all experimental dependences of the concentrations of consumed ethylene on time at various partial ethylene pressures and concentrations of palladium, perchloric acid, and Q. The time-dependent (a) palladium distribution between the intermediates and (b) ratio of the rates of steps of acetaldehyde oxidation via different routes were analyzed. The role of the Pd{sup II}, Pd{sup I}, and Pd{sup 0} complexes in the catalytic formation of olefins was discussed. The quantum chemical estimates of the composition of the coordination sphere for several intermediates and probabilities of some elementary steps in the reaction mechanism were obtained.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Uncovering the driving forces of carbon dioxide emissions in Chinese manufacturing industry: An intersectoral analysis

As the pillar of national economy, manufacturing industry is the largest primary energy consumer and emitter of carbon dioxide (CO2) in China. Therefore, capturing the determinants of CO2 emissions in manufacturing industry is extremely important for national efforts to mitigate carbon emissions. This paper explores the major driving forces behind CO2 emission changes in China's manufacturing industry during 2000-2015 from perspectives of the whole sector and 28 subsectors, by applying the temporal logarithmic mean Divisia index (LMDI) method. Moreover, an intersectoral LMDI model is built to uncover the intersectoral discrepancies of CO2 emissions among 28 subsectors. The temporal analysis indicates that industrial activity and energy intensity are crucial factors respectively contributing to the increase and mitigation of CO2 emissions. The intersectoral analysis reveals that energy intensity is the dominant factor responsible for the intersectoral discrepancies of CO2 emissions among 28 subsectors. The great mitigation towards CO2 emissions can be achieved if energy efficiency is largely improved in carbon-intensive subsectors. Priority should be given by governments to the industrial technology advancement, such as subsidies for energy-saving technological transformation and promotion of international advanced techniques and equipment, which can greatly improve production efficiency and mitigate emissions in manufacturing industry.

China↗
DOE OSTI2022

CLARIFYING THE NEXUS BETWEEN LIFE CYCLE ASSESSMENT AND CIRCULARITY INDICATORS: A SETAC/ACLCA INTEREST GROUP

Purpose Improving the circularity of resources is important to the sustainability of consumer goods. Current research has indicated that circularity practices and circular economy (CE) methods do not always reduce environmental impacts. The aim of this research is to investigate the adoption of the life cycle assessment (LCA) methodology to improve the environmental impacts of circularity practices. Methods As part of the Society for Environmental Toxicology And Chemistry (SETAC) forum, an interest group (IG) on Circularity and LCA was formed in partnership with the American Center for Life Cycle Assessment (ACLCA) to tackle methodological and technical issues related to circularity in LCA. The IG’s research approach is summarized in four key steps: defining goals and objectives, literature review and gap analysis, ideation, and experimentation. The twelve active persons within this IG meet monthly and have been divided into four sub-working groups (sub-WGs) so that complementary tasks can be completed concurrently in an effective manner. Each sub-WG meets monthly and reports back to the main group for collaboration and brainstorming to meet the research objectives. Results and discussion First, the sub-WG #1, focusing on the “pool of circularity and LCA-based indicators”, analyzed the complementarity between two of the most used circularity indicators and LCA. Second, the sub-WG #2, working on the “evaluation of CE loops performance through LCA”, built a mind map of pain points that reflect the challenges that the LCA practitioners face when combining LCA with CE approaches. Third, the sub-WG #3, dealing with the “trade-offs between circularity and sustainability”, highlighted key alignments and/or conflicts between circularity and sustainability performance depending on the scope, product, industry, or system of analysis. Fourth, the sub-WG #4, focusing on “business and industrial cases”, plans to leverage the knowledge base developed within this IG to develop use cases documenting the benefits and challenges associated with CE-related loops modeling in LCA. Conclusions The first findings of this SETAC/ACLCA IG provide a state-of-the-art overview of the synergists of LCA methodology and the CE measurement frameworks reported in the literature. To move forward and capitalize on the first findings, one valuable point will be to discuss and provide concrete solutions to the pain points that emerged when considering circularity in LCA. Eventually, the knowledge base and resources created within this IG ultimately aim to support the proper application of LCA for practitioners in CE contexts, and could provide relevant inputs for the ISO Technical Committee ISO/TC 323 working on the upcoming standard for the measurement of CE performance.

Life cycle assessment, circular economy, circulari↗
DOE OSTI2012

A Benchmark Study on Casting Residual Stress

Stringent regulatory requirements, such as Tier IV norms, have pushed the cast iron for automotive applications to its limit. The castings need to be designed with closer tolerances by incorporating hitherto unknowns, such as residual stresses arising due to thermal gradients, phase and microstructural changes during solidification phenomenon. Residual stresses were earlier neglected in the casting designs by incorporating large factors of safety. Experimental measurement of residual stress in a casting through neutron or X-ray diffraction, sectioning or hole drilling, magnetic, electric or photoelastic measurements is very difficult and time consuming exercise. A detailed multi-physics model, incorporating thermo-mechanical and phase transformation phenomenon, provides an attractive alternative to assess the residual stresses generated during casting. However, before relying on the simulation methodology, it is important to rigorously validate the prediction capability by comparing it to experimental measurements. In the present work, a benchmark study was undertaken for casting residual stress measurements through neutron diffraction, which was subsequently used to validate the accuracy of simulation prediction. The stress lattice specimen geometry was designed such that subsequent castings would generate adequate residual stresses during solidification and cooling, without any cracks. The residual stresses in the cast specimen were measured using neutron diffraction. Considering the difficulty in accessing the neutron diffraction facility, these measurements can be considered as benchmark for casting simulation validations. Simulations were performed using the identical specimen geometry and casting conditions for predictions of residual stresses. The simulation predictions were found to agree well with the experimentally measured residual stresses. The experimentally validated model can be subsequently used to predict residual stresses in different cast components. This enables incorporation of the residual stresses at the design phase along with external loads for accurate predictions of fatigue and fracture performance of the cast components.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Perspectives on Permanent Magnetic Materials for Energy Conversion and Power Generation

Permanent magnet development has historically been driven by the need to supply larger magnetic energy in ever smaller volumes for incorporation in an enormous variety of applications that include consumer products, transportation components, military hardware, and clean energy technologies such as wind turbine generators and hybrid vehicle regenerative motors. Since the 1960s, the so-called rare-earth "supermagnets," composed of iron, cobalt, and rare-earth elements such as Nd, Pr, and Sm, have accounted for the majority of global sales of high-energy-product permanent magnets for advanced applications. In rare-earth magnets, the transition-metal components provide high magnetization, and the rare-earth components contribute a very large magnetocrystalline anisotropy that donates high resistance to demagnetization. However, at the end of 2009, geopolitical influences created a worldwide strategic shortage of rare-earth elements that may be addressed, among other actions, through the development of rare-earth-free magnetic materials harnessing sources of magnetic anisotropy other than that provided by the rare-earth components. Materials engineering at the micron scale, nanoscale, and Angstrom scales, accompanied by improvements in the understanding and characterization of nanoscale magnetic phenomena, is anticipated to result in new types of permanent magnetic materials with superior performance. DOI: 10.1007/s11661-012-1278-2 (C) The Minerals, Metals & Materials Society and ASM International 2012

Lewis, LH↗
DOE OSTI2020

Creep Deformation and Dynamic Grain Growth in an Interstitial-Free Steel

Dynamic grain growth is demonstrated to be much faster than static grain growth in a body-centered-cubic, interstitial-free steel sheet material at 850°C. Dynamic grain growth occurs during concurrent plastic deformation at elevated temperature, whereas static grain growth occurs during static annealing. Grain growth during steady-state plastic flow in tension at 850°C to a true strain of 0.2 at a true-strain rate of 10 -4 s -1 doubled grain size, while static annealing for the same time produced no increase in grain size. This is described as dynamic normal grain growth (DNGG) because no abnormally large grains were observed. The recrystallized microstructure of the steel demonstrated a log-normal distribution of grain sizes. DNGG produced bimodal grain size distributions that deviate from the theoretical expectation of a simple shift to larger sizes during normal growth. The bimodal distributions contained a remnant of small grains that were not consumed during grain growth. DNGG produced a crystallographic texture that is unique from both the recrystallized material and that produced by lattice rotation alone. DNGG strengthened the {111}&lang;110&rang; and {111}&lang;112&rang; components of the strong γ-fiber component in the original recrystallization texture. Lattice rotation from tensile deformation, by contrast, strengthened the α-fiber components that intersect the original γ-fiber.

36 MATERIALS SCIENCE↗