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At least 739 records · Page 41

Influence of Temperature on Sr{sub 0.35}La{sub 0.40}Ca{sub .25}Fe{sub 11.6}Co{sub 0.4}O{sub 19} Hexagonal Ferrites Against Structural, Morphological and Magnetic Properties Prepared by Conventional Ceramic Reaction Methodology

Conventional Ceramic Reaction Methodology has been utilized for the preparation of M-type hexagonal ferrites of Sr{sub 0.35}La{sub 0.40}Ca{sub 0.25}Fe{sub 11.6}Co{sub 0.4}O{sub 19} magnets. X-ray diffraction has been performed for phase determination of the magnetic powders. At calcination temperatures ranging from 1220 to 1330 {sup ∘}C, the synchronize compost of the magnetic powders comprised of M-type hexagonal ferrites together with a small amount of impurity phase such as α-Fe{sub 2}O{sub 3} were co-existed. At calcination temperature above 1270 {sup ∘}C, single-phase M-type hexaferrites can be obtained. The particles seemed to be in a hexagonal plate-like mould which spread-out homogeneously were examined by field emission scanning electron microscopy. The magnetic edibility of the magnetic powders was intended by permanent magnetic measurement test equipment vibrating sample magnetometer. Magnetic properties, such as specific saturation magnetization, coercivity and remanence were temperature-dependent. However, with the increase of sintering temperature, i.e. above 1270 {sup ∘}C, saturation magnetization was increased while the coercivity showed reversed order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

LandScan HD: a high-resolution gridded ambient population methodology for the world

Unwarned population distributions accounting for routine human activities are needed to address many global human security challenges, including disasters, conflict, and infrastructure demand. LandScan High Definition (LSHD) supports this need through gridded ambient population estimates that measure average human presence between daytime and nighttime at a high spatial resolution of 3 arcseconds (approximately 90 m). Although LSHD has traditionally been produced on a country-specific basis, advances in global foundational data and computational resources now enable scaling its methodology to the world. Combining aspects of top-down and bottom-up gridded population methods, LSHD allocates subnational population totals from authoritative statistics to built-up areas based on occupancy estimates for multiple facility types (e.g., residential, commercial) and then reaggregates these estimates to a global population grid. We scale this approach by organizing the LSHD data stack into a 1° resolution tileset of vector analytic features, enabling an efficient and repeatable workflow for all countries worldwide. Examining the Philippines as an output of the global LSHD baseline dataset, we contrast unwarned and residential (WorldPop) population distributions by (1) exploring a practical application of flood risk assessment and (2) evaluating their congruence with outcomes of collective human activities (subnational CO 2 emissions). Finally, we discuss plans to address current LSHD limitations through data/modeling and uncertainty quantification improvements and provide outlook for workflow automation and extending the model to social, demographic and economic population characteristics.

Building morphology↗

Process Parameter Optimization in Refill Friction Spot Welding of 6061 Aluminum Alloys Using Response Surface Methodology

6061-T6 aluminum alloy joint was fabricated by refill friction stir spot welding (RFSSW) on which three process parameters of tool rotation speed, sleeve moving rate, and plunge depth make an important effect. The response surface methodology (RSM) was applied to establish a mathematical model to study the effect of process parameters on lap shear fracture load (LSFL) of the RFSSWed joints which were performed in Box–Behnken designs with three factors, three levels and 15 runs. Analysis of variance used to check the adequacy of the developed model indicates that the mathematical model is significant. LSFL increases with the increase in tool rotation speed, sleeve plunge depth, and sleeve moving rate to maximum and then decreases. Sleeve plunge depth makes the most effect on LSFL in all process parameters. The RFSSW process parameters were also optimized using RSM to predict maximize LSFL. The joint produced using a tool rotational speed of 1506 rpm, sleeve moving rate of 1.01 mm/s and sleeve plunge depth of 2.46 mm displays higher LSFL.

36 MATERIALS SCIENCE↗

Partitioning of Recombinant Pseudomonas putida POS-F84 Proline Dehydrogenase in Aqueous Two-Phase Systems: Optimization Using Response Surface Methodology

Empirical modeling the partition behavior and recovery of a recombinant Pseudomonas putida POS-F84 proline dehydrogenase (ProDH) in aqueous two-phase systems (ATPS) was carried out by response surface methodology (RSM). Polyethylene glycol 1000 (PEG-1000) concentration, sodium carbonate concentration, and pH, which were the most important factors, were chosen for modeling the partition feature of enzyme. The adequacy of the models was investigated by means of variance analysis. Also, to confirm the efficiency of the ATPS in partition and purification of recombinant ProDH, purity and enzymatic activity was studied. After numerical optimization, an optimal ATPS composed of 14.33% PEG-1000 and 11.79% sodium carbonate at pH 7.48 was achieved. Yield, purification factor, and recovery were 81.41%, 60.82, and 270.82%, respectively. Purified recombinant ProDH was found as a single protein band into the upper PEG-rich phase and the specific activity was calculated to be 46.23 ± 2.1 U/mg. Collectively, our data showed that the RSM could be an appropriate and powerful tool to define the best ATPS system for recovery and purification of P. putida ProDH.

60 APPLIED LIFE SCIENCES↗

Evaluation of oxygen reduction activity by the thin-film rotating disk electrode methodology: The effects of potentiodynamic parameters

Here, an accurate and efficient assessment of activity is critical for the research and development of electrocatalysts for oxygen reduction reaction (ORR). Currently, the methodology combining the thin-film rotating disk electrode (TF-RDE) and potentiodynamic polarization is the most commonly used to pre-evaluate ORR activity, acquire kinetic data (i.e., kinetic current, Tafel slope, etc.), and gain understanding of the ORR mechanism. However, it is often neglected that appropriate potentiodynamic parameters have to be chosen to obtain reliable results. We first evaluate the potentiodynamic and potentiostatic polarization measurements with TF-RDE to examine the ORR activity of Pt nanoelectrocatalyst. Furthermore, our results demonstrate that besides depending on the nature of electrocatalyst, the apparent ORR kinetics also strongly depends on the associated potentiodynamic parameters, such as scan rate and scan region, which have a great effect on the coverage of adsorbed OH ad /O ad on Pt surface, thereby affecting the ORR activities of both nanosized and bulk Pt. However, the apparent Tafel slopes remained nearly the same, indicating that the ORR mechanism in all the measurements was not affected by different potentiodynamic parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Importance of Standardizing Analytical Characterization Methodology for Improved Reliability of the Nanomedicine Literature

Understanding the interaction between biological structures and nanoscale technologies, dubbed the nano-bio interface, is required for successful development of safe and efficient nanomedicine products. The lack of a universal reporting system and decentralized methodologies for nanomaterial characterization have resulted in a low degree of reliability and reproducibility in the nanomedicine literature. As such, there is a strong need to establish a characterization system to support the reproducibility of nanoscience data particularly for studies seeking clinical translation. Here, we discuss the existing key standards for addressing robust characterization of nanomaterials based on their intended use in medical devices or as pharmaceuticals. We also discuss the challenges surrounding implementation of such standard protocols and their implication for translation of nanotechnology into clinical practice. We, however, emphasize that practical implementation of standard protocols in experimental laboratories requires long-term planning through integration of stakeholders including institutions and funding agencies.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Applications of NMR and computational methodologies to study protein dynamics

The overwhelming evidence now illustrates the defining role of atomic-scale protein flexibility in biological events such as allostery, cell signaling, and enzyme catalysis. Over the years, spin relaxation nuclear magnetic resonance (NMR) has provided significant insights on the structural motions occurring on multiple time frames over the course of a protein life span. The present review article aims to illustrate to the broader community how this technique continues to shape many areas of protein science and engineering, in addition to being an indispensable tool for studying atomic-scale motions and functional characterization. Continuing developments in underlying NMR technology alongside software and hardware developments for complementary computational approaches now enable methodologies to routinely provide spatial directionality and structural representations traditionally harder to achieve solely using NMR spectroscopy. In addition to its well-established role in structural elucidation, we present recent examples that illustrate the combined power of selective isotope labeling, relaxation dispersion experiments, chemical shift analyses, and computational approaches for the characterization of conformational sub-states in proteins and enzymes.

59 BASIC BIOLOGICAL SCIENCES↗

A methodology to determine the elastic moduli of crystals by matching experimental and simulated lattice strain pole figures using discrete harmonics

Determining reliable single crystal material parameters for complex polycrystalline materials is a significant challenge for the materials community. In this work, a novel methodology for determining those parameters is outlined and successfully applied to the titanium alloy, Ti-6Al-4V. Utilizing the results from a lattice strain pole figure experiment conducted at the Cornell High Energy Synchrotron Source, an iterative approach is used to optimize the single crystal elastic moduli by comparing experimental and simulated lattice strain pole figures at discrete load steps during a uniaxial tensile test. Due to the large number of unique measurements taken during the experiments, comparisons were made by using the discrete spherical harmonic modes of both the experimental and simulated lattice strain pole figures, allowing the complete pole figures to be used to determine the single crystal elastic moduli. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Wielewski, Euan↗

Assessment of surface and bulk-dominated methodologies to measure critical resolved shear stresses in hexagonal materials

We present that crystallographic slip in hexagonal metals involves a number of geometrically distinct slip families characterized by their slip direction and slip plane (basal, prismatic, and pyramidal). Owing to the low symmetry of hexagonal lattices, each of these slip families only have a few symmetrically equivalent slip systems (family members). Furthermore, different slip families become active at different resolved shear stress, i.e., they have different critical resolved shear stress values (CRSS). The plastic anisotropy of hexagonal materials makes the numerical prediction of their plastic behavior challenging and depends critically on the knowledge of CRSS values. The present contribution assesses the reliability of three proposed methods (with additional variations) to quantify CRSS values of the different hexagonal slip families. Those methods (a to c) rely on: (a) the statistics of observed surface slip traces in a (slightly) deformed polycrystal; (b) an iterative adjustment of CRSS values until a simulated single crystal indentation matches the corresponding experiment in terms of load–displacement response and residual surface topography of the indent; (c) in-situ high-energy X-ray diffraction to measure the evolution of resolved stress (from lattice strains) in grains for which single-family slip is probable based upon specific lattice reorientation conditions. Virtual experiments are performed on synthetic microstructures such that the (extracted) CRSS values resulting from simulating the different methodologies can be rigorously compared against the (target) CRSS values that are installed in the phenomenological constitutive material description used in the simulations. The resulting CRSS values of methods (a) exhibit a strong dependence on, and deterioration with, decreasing level of slip trace observability, which is an uncertain quantity in experimental measurements. For the inverse indentation method (b), the predicted CRSS values are within 8 % of their reference CRSS values for the two investigated cases. Lastly, the high-energy X-ray diffraction method (c) most reliably determines CRSS values for basal and prism slip, but lacks a strict grain selection criterion to assess pyramidal slip.

36 MATERIALS SCIENCE↗

The surface-atmosphere exchange of carbon dioxide in tropical rainforests: Sensitivity to environmental drivers and flux measurement methodology

Tropical rainforests play a central role in the Earth system by regulating climate, maintaining biodiversity, and sequestering carbon. They are under threat by direct anthropogenic impacts like deforestation and the indirect anthropogenic impacts of climate change. A synthesis of the factors that determine the net ecosystem exchange of carbon dioxide (NEE) at the site scale across different forests in the tropical rainforest biome has not been undertaken to date. Here, we study NEE and its components, gross ecosystem productivity (GEP) and ecosystem respiration (RE), across thirteen natural and managed forests within the tropical rainforest biome with 63 total site-years of eddy covariance data. Our results reveal that the five ecosystems with the largest annual gross carbon uptake by photosynthesis (i.e. GEP > 3000 g C m -2 y -1 ) have the lowest net carbon uptake – or even carbon losses – versus other study ecosystems because RE is of a similar magnitude. Sites that provided subcanopy CO 2 storage observations had higher average magnitudes of GEP and RE and lower average magnitudes of NEE, highlighting the importance of measurement methodology for understanding carbon dynamics in ecosystems with characteristically tall and dense vegetation. A path analysis revealed that vapor pressure deficit (VPD) played a greater role than soil moisture or air temperature in constraining GEP under light saturated conditions across most study sites, but to differing degrees from -0.31 to -0.87 μmol CO 2 m -2 s -1 hPa -1 . Climate projections from 13 general circulation models (CMIP5) under the representative concentration pathway that generates 8.5 W m -2 of radiative forcing suggest that many current tropical rainforest sites on the lower end of the current temperature range are likely to reach a climate space similar to present-day warmer sites by the year 2050, warmer sites will reach a climate not currently experienced, and all forests are likely to experience higher VPD. Results demonstrate the need to quantify if and how mature tropical trees acclimate to heat and water stress, and to further develop flux-partitioning and gap-filling algorithms for defensible estimates of carbon exchange in tropical rainforests.

54 ENVIRONMENTAL SCIENCES↗

SMITHERS: An object-oriented modular mapping methodology for MCNP-based neutronic–thermal hydraulic multiphysics

A novel object-oriented modular mapping methodology for externally coupled neutronics–thermal hydraulics multiphysics simulations was developed. The Simulator using MCNP with Integrated Thermal-Hydraulics for Exploratory Reactor Studies (SMITHERS) code performs on-the-fly mapping of material-wise power distribution tallies implemented by MCNP-based neutron transport/depletion solvers for use in estimating coolant temperature and density distributions with a separate thermal-hydraulic solver. The key development of SMITHERS is that it reconstructs the hierarchical geometry structure of the material-wise power generation tallies from the depletion solver automatically, with only a modicum of additional information required from the user. In addition, it performs the basis mapping from the combinatorial geometry of the depletion solver to the required geometry of the thermal-hydraulic solver in a generalizable manner, such that it can transparently accommodate varying levels of thermal-hydraulic solver geometric fidelity, from the nodal geometry of multi-channel analysis solvers to the pin-cell level of discretization for sub-channel analysis solvers.

42 ENGINEERING↗

A two-step short-term probabilistic wind forecasting methodology based on predictive distribution optimization

With increasing wind penetrations into electric power systems, probabilistic wind forecasting becomes more critical to power system operations because of its capability of quantifying wind uncertainties. In this paper, a two-step probabilistic wind forecasting approach based on pinball loss optimization is developed. First, a multimodel machine learning-based ensemble deterministic forecasting framework is adopted to generate deterministic forecasts. The deterministic forecast is assumed to be the mean value of the predictive distribution at each forecasting time stamp. Then, the optimal unknown parameter (i.e., standard deviation) of the predictive distribution is estimated by a support vector regression surrogate model based on the deterministic forecasts. Lastly, probabilistic forecasts are generated from the predictive distribution. Numerical results of case studies at eight locations show that the developed two-step probabilistic forecasting methodology has improved the pinball loss metric score by up to 35% compared to a baseline quantile regression forecasting model.

17 WIND ENERGY↗

A methodology to develop multi-physics dynamic fuel cell system models validated with vehicle realistic drive cycle data

Fuel cell (FC) technology has been identified as a technically attractive solution to decarbonize the transportation sector, especially for heavy-duty vehicles. In this context, the industry and the scientific community are in need of advanced fuel cell systems (FCS) models that are able to replicate real -world operating conditions. Due to the scarcity of said models in the open literature, this study aimed to develop a comprehensive methodology to calibrate and validate multi -physics dynamic FCS models. Therefore, the key contribution of this paper is the detailed description of the calibration process for each component and the calibration order. The specific focus here was to accurately describe the behavior of the FC stack as well as the cathode, anode, and cooling circuits of the balance of plant. The model was calibrated with the aid of experimental data from a Toyota Mirai FC electric vehicle, which was predominantly retrieved from the vehicle's Controller Area Network (CAN) bus system thereby negating the need for major intrusion into the powertrain system. The validation process was deemed successful with the model being able to truthfully replicate the characteristics of the FC vehicle operated on the World-wide harmonized Light duty Test Cycle (WLTC) 3b and US06 driving cycle. The time -resolved physical parameters such as the cathode pressure, mass flow, or the FC stack temperature were captured with high fidelity, while the overall performance parameters such as the H2 consumption in the stack and the system, and the compressor energy consumption were predicted accurately with a deviation lower than 0.47%, 1.75% and 1.89% with respect to the experimental data, respectively.

Lopez-Juarez, Marcos↗

A methodology for domain overlapping coupling of thermal-hydraulic systems

Multi-scale coupling has increasingly drawn attention as a promising approach for modeling thermal systems. Traditional system codes provide fast and robust predictions at the plant scale, while high-fidelity computational fluid dynamics (CFD)-based tools resolve localized flow and heat transfer phenomena with greater accuracy. By combining these complementary strengths, co-simulations enable multi-scale analysis that would otherwise be computationally prohibitive for a standalone CFD code. Here, this work introduces a robust and problem-agnostic domain overlapping (DO) coupling between the system thermal-hydraulic (STH) code System Analysis Module (SAM) and the coarse-mesh CFD code Pronghorn. Both applications belong to the Comprehensive Reactor Analysis Bundle (BlueCRAB) code suite, a code suite in active development at the Idaho National Laboratory (INL), tailored for multi-physics analysis of advanced reactors. Unlike previous approaches, BlueCRAB supports an agnostic interface between codes based on different fidelity, while its coupling formulation can address arbitrary flow geometries with multiple inlets and outlets in coupled components. The implemented method leads to consistent pressure drops, enthalpies, and scalar concentrations between coupled SAM and Pronghorn simulations. The methodology is demonstrated through two verification tests, which ensure the numerical consistency and conservation across the codes, and through one validation test against experimental data. The proposed problems explore different physical aspects inherent to thermal systems, with particular attention given to nuclear reactor analysis. These include buoyancy-driven flows, complex flow patterns, and setups with multiple inlets and outlets, representing challenges in advanced reactor applications.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Methodology to evaluate design modifications intended to eliminate frosting and high discharge temperatures in air-source heat pumps (ASHPs) in cold climates

Air-source heat pumps (ASHPs) operating in cold climates experience problems with frosting and high refrigerant temperatures. These problems increase energy consumption, and their severity depends on the climatic conditions. In the present paper, a methodology for identifying the prevailing problem between frosting and high discharge temperatures is presented. Three performance indices, the frosting index (FI), the discharge index (DI), and the total loss index (TLI), are proposed to quantify the impacts of frosting and high discharge temperatures on the annual performance of ASHPs in different climatic conditions. The FI and DI show which problem (frosting or high discharge temperature) dominates, and the TLI indicates the combined effect of frosting and high discharge temperatures on the performance of an ASHP. A thermodynamic model of an ASHP coupled with the TRNSYS building simulation tool is used to estimate the performance of an ASHP and the proposed loss indices to estimate the impact of both frosting and high discharge temperatures for 45 cities in Canada. The results can be extended to other parts of the world that experience similar climatic conditions The results reveal that in cities in ASHRAE climatic zones 5 and 6 (classified as cold regions) where the ambient air temperatures are predominantly between -15 °C to 6 °C, ASHPs are heavily impacted by frosting. The problem of high discharge temperatures in ASHPs is predominant in cities in climate zones 7 and 8 (classified as very cold and subarctic regions) where the temperatures are frequently below -20 °C in winter. Among the cities considered, St. John, NL has the highest fraction of heating hours experiencing frosting (90 %), where the annual increase in energy consumption due to frosting is 13.5 % of the annual heating energy consumption. The highest annual increase in energy consumption due to high discharge temperatures is in Isachsen, NU (zone 8), where the increase is 30 % of the annual heating energy consumption. Based on the proposed indices, another index called the performance gain index (PGI) is created, which can be used as a first step to assess the energy-saving potential of design modifications applied to ASHPs to solve the problems of frosting and high discharge temperatures. The PGI will aid in developing climate specific ASHPs. One possible design modification is the use of a two-stage ASHP with an economizer. It is observed that the two-stage ASHP with economizer can mitigate high discharge temperatures and improve performance in very cold and subarctic regions (zones 7 and 8). However, it is not as beneficial in zones 5 and 6, where the impact of high discharge temperatures on performance is minimal and frosting dominates. Finally, a case study, using the PGI to evaluate the economic and environmental effectiveness of a two-stage ASHP with economizer is presented for the city of Saskatoon.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Energy ideals, visions, narratives, and rhetoric: Examining sociotechnical imaginaries theory and methodology in energy research

Sociotechnical imaginaries emerged in the last decade as a potentially fruitful approach to understanding how collective social values inflect on the production of scientific knowledge and the design of technological systems. Yet insights generated to date have focused on the categories experts use to define a society’s idealized organization, either as the direct subject of analysis by documentary analysis or through the ways such categories circumscribe the field of authorized “values” open for adjudication in public engagement events. We argue that sociotechnical imaginaries require a new methodological framework for designing research in order to examine the collective values of citizens as they live their daily lives, rather than focusing on experts and the state in order to understand the shared moral, material, and scientific goals of a society. Drawing inspiration from rhetoric, corpus linguistics, and dialectology, we present the Social Energy Atlas, a new and burgeoning research project that employs such methods for studying emergent narrative patterns and variation at the local level. Furthermore, advancing the theory and practice of studying sociotechnical imaginaries is of tremendous benefit to Energy and Social Science researchers, and it is our intent this commentary encourages further careful development and use of the concept.

14 SOLAR ENERGY↗

A general predictive methodology for fuel-mixture properties up to supercritical conditions

A predictive thermodynamic model is utilized for the calculation of fuel properties of oxymethylene dimethyl ethers (OME 3–4 ), surrogates for gasoline, diesel and aviation fuel, as well as alcohol blends with gasoline and diesel. The alcohols used for these blends are methanol, ethanol, propanol, butanol and pentanol; their mixing ratio ranges from 10 to 50% by volume. The model is based on the Perturbed-Chain Statistical Association Fluid Theory (PC-SAFT) equation of state (EoS) and Vapor Liquid Equilibrium (VLE) calculations at constant temperature, density and composition. The model includes the association term, with the assumption of two association sites (2B scheme), to enable the modeling of alcohols. The pure-component parameters are estimated based on the Group Contribution (GC) method of various sources, as well as a parametrization model specifically designed for the case of OME 3–4 . The results of the computational model for the density, vapor pressure and distillation curves at various conditions, including high-pressure, high-temperature (HPHT), are compared to experimental and computational data available in the literature. In the cases where no measurements are available for the surrogates, experimental data for the corresponding target fuel are used, taking into consideration the inherent deviation in properties between real and surrogate fuel. Overall, the results are in good agreement with the data from the literature, with the average deviation not exceeding 12% for temperature (Kelvin) on the distillation curves, 10% for density and 46% for vapor pressure and the general trend being captured successfully. The use of different pure component parameter estimation techniques can further improve the prediction quality in the cases of OME3–4 and the aviation fuel surrogate, especially for the vapor pressure, leading to an average deviation lower than 18%. These results demonstrate the predictive capabilities of the model, which extend to a wide range of fuel types and pressure/temperature conditions. Through this investigation, the present work aims to establish the limits of applicability of this thermodynamic property prediction methodology.

33 ADVANCED PROPULSION SYSTEMS↗

De-risking superhot EGS development through 3D play fairway analysis: Methodology development and application at Newberry Volcano, Oregon, USA

The DErisking Exploration for multiple geothermal Plays in magmatic ENvironments (DEEPEN) project aims to de-risk exploration of geothermal plays in magmatic systems, with a focus on superhot and supercritical geothermal systems. This article presents advancements in geoscientific assessment of superhot enhanced geothermal system (EGS) resources as part of the DEEPEN project, particularly in exploration and identification of these systems. While there exists a general consensus on key components of conventional hydrothermal systems, there has not been a prior consensus on such components for EGS, let alone superhot EGS. The DEEPEN project identified these key components for superhot EGS plays, and used them to modify the traditional geothermal play fairway analysis (PFA) approach to identify favorable areas in superhot EGS plays in 3D. This was done through modeling both favorability and uncertainty separately for each key component of a superhot EGS play, incorporating diverse 3D geoscientific datasets, including geologic features, models produced from direct observations, single inversions, and joint inversions. The PFA is applied to Newberry Volcano as a form of validation. Finally, the results appear to validate the methodology, aligning with expectations derived from conceptual modeling, and highlighting the area targeted for EGS stimulation well NWG 55-29 as favorable, and suggesting potential additional areas worthy of exploration at Newberry.

15 GEOTHERMAL ENERGY↗