Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Group Processes”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 127 records · Page 7

Modeling Spatial Dependencies and Semantic Concepts in Data Mining

Data mining is the process of discovering new patterns and relationships in large datasets. However, several studies have shown that general data mining techniques often fail to extract meaningful patterns and relationships from the spatial data owing to the violation of fundamental geospatial principles. In this tutorial, we introduce basic principles behind explicit modeling of spatial and semantic concepts in data mining. In particular, we focus on modeling these concepts in the widely used classification, clustering, and prediction algorithms. Classification is the process of learning a structure or model (from user given inputs) and applying the known model to the new data. Clustering is the process of discovering groups and structures in the data that are ``similar,'' without applying any known structures in the data. Prediction is the process of finding a function that models (explains) the data with least error. One common assumption among all these methods is that the data is independent and identically distributed. Such assumptions do not hold well in spatial data, where spatial dependency and spatial heterogeneity are a norm. In addition, spatial semantics are often ignored by the data mining algorithms. In this tutorial we cover recent advances in explicitly modeling of spatial dependencies and semantic concepts in data mining.

99 GENERAL AND MISCELLANEOUS↗

Multifamily Housing Rehabilitation Process Improvements

Rea Ventures Group, LLC, (Rea Ventures) partnered with Southface Energy Institute (Southface) on the rehabilitation of 418 low-income rental multifamily apartments located at 14 different properties in Georgia (Climate Zones 2-4). These 22-year old, individually-metered units were arranged in rowhouse or townhouse style units. Rehabilitation plans were developed using a process prescribed by the US Department of Agriculture (USDA) Rural Development program, who partially funded the building upgrades. The USDA is responsible for building, upgrading, and subsidizing housing in rural areas nationwide. In 2012, over $100 million was allocated in grants and loans. Due to the unique financing mechanism as well as long-term ownership requirements, property owners are especially motivated to invest in upgrades that will increase durability and tenant retention. These buildings represent a large stock of rural affordable housing that have the potential for significant energy and cost savings for property owners and tenants. Southface analyzed the energy upgrade potential of one stereotypical property in the Rea Ventures portfolio. This study will provide insight into the most cost-effective, implementable energy efficiency and durability upgrades for this age multifamily housing, having an enormous impact not only on the portfolio of Rea Ventures but on the vast USDA and larger Federal portfolio. Additionally, Southface will identify gaps in the current capital needs assessment process, examine available audit and simulation tools and protocols, and evaluate additional auditor training or certification needs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Spatial distribution of organic functional groups supported on mesoporous silica nanoparticles (2): a study by 1 H triple-quantum fast-MAS solid-state NMR

The distribution of organic functional groups attached to the surface of mesoporous silica nanoparticles (MSNs) via co-condensation was scrutinized using 1D and 2D 1 H solid-state NMR, including the triple-quantum/single-quantum (TQ/SQ) homonuclear correlation technique. The excellent sensitivity of 1 H NMR and high resolution provided by fast magic angle spinning (MAS) allowed us to study surfaces with very low concentrations of aminopropyl functional groups. The sequential process, in which the injection of tetraethyl orthosilicate (TEOS) into the aqueous mother liquor was followed by dropwise addition of the organosilane precursor, resulted in deployment of organic groups on the surface, which were highly clustered even in a sample with a very low loading of ~0.1 mmol g -1 . The underlying mechanism responsible for clustering could involve fast aggregation of the aminopropyltrimethoxysilane (APTMS) precursor within the liquid phase, and/or co-condensation of the silica-bound molecules. Understanding the deposition process and the resulting topology of surface functionalities with atomic-scale resolution, can help to develop novel approaches to the synthesis of complex inorganic–organic hybrid materials.

36 MATERIALS SCIENCE↗

Multifamily Housing Rehabilitation Process Improvements

Rea Ventures Group, LLC (Rea Ventures) partnered with Southface Energy Institute (Southface)—a member of the U.S. Department of Energy’s Partnership for Home Innovation Building America research team—to rehabilitate 418 low-income multifamily rental apartments located at 14 properties in Georgia (International Energy Conservation Code Climate Zones 2–4). These 22-year-old units with individual utility meters were arranged in row house or townhouse style. Rehabilitation plans were developed using a process prescribed by the U.S. Department of Agriculture (USDA) Rural Development program, which partially funded the building upgrades. The USDA is responsible for building, upgrading, and subsidizing housing in rural areas nationwide; this housing includes more than 14,000 existing multifamily housing developments. In 2012, more than $100 million in grants and loans were allocated for that purpose.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

What can molecular simulation do for global warming?

Carbon capture is necessary to reduce CO 2 emissions from burning fossil fuels, which has led to global warming. Molecular simulations offer chemical insights and design principles for new separation media and for understanding the separation process. In this review, we summarize recent applications of simulation methods from ab initio and density functional theory to classical molecular dynamics and Grand canonical Monte Carlo in understanding ionic liquids and porous carbonaceous materials for CO 2 separation, especially the postcombustion CO 2 / N 2 separation. We highlight design and simulation of the porous two‐dimensional ( 2D ) materials as the highly selective membranes for CO 2 separation. Simulated structure–property relationships for the materials are discussed in connection to the corresponding chemisorption, physisorption, or membrane process. In chemisorption, the focus is on reducing the heat of reaction with CO 2 ; in physisorption, the key is to increase the binding strength via CO 2 ‐philic groups; in membrane process, the key is to increase solubility for ionic‐liquid membranes and to control pore size for 2D materials. Challenges and opportunities for simulating emerging materials are also discussed. WIREs Comput Mol Sci 2016, 6:173–197. doi: 10.1002/wcms.1241 This article is categorized under: Structure and Mechanism > Computational Materials Science Electronic Structure Theory > Density Functional Theory Molecular and Statistical Mechanics > Molecular Interactions

Tian, Ziqi↗

A New Low-Temperature Approach for Efficient and Low-Cost Group V Doping in CdTe Thin Film Solar Cells (Final Technical Report)

The goal of this project is to develop a highly efficient low-temperature ex-situ Group V diffusion doping approach in the CdCl 2 treated polycrystalline CdTe film using the group V chlorides (i.e., PCl 3 , AsCl 3 , SbCl 3 , and BiCl 3 ) as dopants source. For the first time, our innovative doping strategies through the low-temperature ex-situ Group V doping process in polycrystalline CdSeTe successfully demonstrated a promising power conversion efficiency of ~19% compared to the Cu-doped counterparts. Our newly developed low-temperature ex-situ group V doping allows dedicated control of group V diffusion amount, generates a desirable depth profile, and is completely compatible with commercial CdTe module manufacturing. We built the partnership with the largest CdTe solar module manufacturing in the US, e.g., First Solar, Inc to further develop these low-temperature diffusion doped CdSeTe solar cells. Our technology was granted US Patent No. US11257977B2. In this project, we systematically investigate and characterize the new ex-situ group V doping mechanisms, defect chemistry, microstructure, and device physics in CdTe solar cells by combining experimental and theoretical means to pave the way to achieve lower cost toward $\$$0.02/kWh and higher power conversion efficiency (PCE) toward 25% in polycrystalline CdTe solar technology. This project will benefit the public by providing more affordable solar electricity and provide an effective way to address climate change.

14 SOLAR ENERGY↗

Recombination activity of grain boundaries in high-performance multicrystalline Si during solar cell processing

Here in this work, we applied internal quantum efficiency mapping to study the recombination activity of grain boundaries in High Performance Multicrystalline Silicon under different processing conditions. Wafers were divided into groups and underwent different thermal processing, consisting of phosphorus diffusion gettering and surface passivation with hydrogen rich layers. After these thermal treatments, wafers were processed into heterojunction with intrinsic thin layer solar cells. Light Beam Induced Current and Electron Backscatter Diffraction were applied to analyse the influence of thermal treatment during standard solar cell processing on different types of grain boundaries. The results show that after cell processing, most random-angle grain boundaries in the material are well passivated, but small-angle grain boundaries are not well passivated. Special cases of coincidence site lattice grain boundaries with high recombination activity are also found. Based on micro-X-ray fluorescence measurements, a change in the contamination level is suggested as the reason behind their increased activity. Published by AIP Publishing.

36 MATERIALS SCIENCE↗

Bifunctional Ionic Covalent Organic Networks for Enhanced Simultaneous Removal of Chromium(VI) and Arsenic(V) Oxoanions via Synergetic Ion Exchange and Redox Process

Chromium (VI) and arsenic (V) oxoanions are major toxic heavy metal pollutants in water threatening both human health and environmental safety. Here, the development is reported of a bifunctional ionic covalent organic network (iCON) with integrated guanidinium and phenol units to simultaneously sequester chromate and arsenate in water via a synergistic ion-exchange-redox process. The guanidinium groups facilitate the ion-exchange-based adsorption of chromate and arsenate at neutral pH with fast kinetics and high uptake capacity, whereas the integrated phenol motifs mediate the Cr(VI)/Cr(III) redox process that immobilizes chromate and promotes the adsorption of arsenate via the formation of Cr(III)-As(V) cluster/complex. The synergistic ion-exchange-redox approach not only pushes high adsorption efficiency for both chromate and arsenate but also upholds a balanced Cr/As uptake ratio regardless of the change in concentration and the presence of interfering oxoanions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Grouped actinide separation in advanced nuclear fuel cycles

Aiming at cleaner waste streams (containing only the short-lived fission products) a partitioning and transmutation (P-T) scheme can significantly reduce the quantities of long-lived radionuclides consigned to waste. Many issues and options are being discussed and studied at present in view of selecting the optimal route. The choice is between individual treatment of the relevant elements and a grouped treatment of all actinides together. In the European Collaborative Project ACSEPT (Actinide recycling by Separation and Transmutation), grouped separation options derived from an aqueous extraction or from a dry pyroprocessing route were extensively investigated. Successful demonstration tests for both systems have been carried out in the frame of this project. The aqueous process called GANEX (Grouped Actinide Extraction) is composed of 2 cycles, a first one to recover the major part of U followed by a co-extraction of Np, Pu, Am, and Cm altogether. The pyro-reprocessing primarily applicable to metallic fuels such as the U-Pu-Zr alloy originally developed by the Argonne National Laboratory (US) in the mid 1980s, has also been applied to the METAPHIX fuels containing up to 5% of minor actinides and 5% of lanthanides (e.g. U{sub 60}Pu{sub 20}-Zr{sub 10}Am{sub 2}Nd{sub 3.5}Y{sub 0.5}Ce{sub 0.5}Gd{sub 0.5}). A grouped actinide separation has been successfully carried out by electrorefining on solid Al cathodes. At present the recovery of the actinides from the alloy formed with Al upon electrodeposition is under investigation, because an efficient P-T cycle requires multiple re-fabrication and re-irradiation. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A CLASSIFICATION SCHEME FOR TURBULENT ACCELERATION PROCESSES IN SOLAR FLARES

We establish a classification scheme for stochastic acceleration models involving low-frequency plasma turbulence in a strongly magnetized plasma. This classification takes into account both the properties of the accelerating electromagnetic field, and the nature of the transport of charged particles in the acceleration region. We group the acceleration processes as either resonant, non-resonant, or resonant-broadened, depending on whether the particle motion is free-streaming along the magnetic field, diffusive, or a combination of the two. Stochastic acceleration by moving magnetic mirrors and adiabatic compressions are addressed as illustrative examples. We obtain expressions for the momentum-dependent diffusion coefficient D(p), both for general forms of the accelerating force and for the situation when the electromagnetic force is wave-like, with a specified dispersion relation {omega} = {omega}(k). Finally, for models considered, we calculate the energy-dependent acceleration time, a quantity that can be directly compared with observations of the time profile of the radiation field produced by the accelerated particles, such as those occuring during solar flares.

79 ASTRONOMY AND ASTROPHYSICS↗

"Group IV Nanomembranes, Nanoribbons, and Quantum Dots: Processing, Characterization, and Novel Devices"

This theoretical project has been carried out in close interaction with the experimental project at UW-Madison under the same title led by PI Max Lagally and co-PI Mark Eriksson. Extensive computational studies have been performed to address a broad range of topics from atomic structure, stability, mechanical property, to electronic structure, optoelectronic and transport properties of various nanoarchitectures in the context of Si and other solid nanomembranes. These have been done by using combinations of different theoretical and computational approaches, ranging from first-principles calculations and molecular dynamics (MD) simulations to finite-element (FE) analyses and continuum modeling.

36 MATERIALS SCIENCE↗

Chemical abundances of the Typhon stellar stream

ABSTRACT We present the first high-resolution chemical abundances of seven stars in the recently discovered high-energy stream Typhon. Typhon stars have apocentres r ≳ 100 kpc, making this the first detailed chemical picture of the Milky Way’s very distant stellar halo. Though the sample size is limited, we find that Typhon’s chemical abundances are more like a dwarf galaxy than a globular cluster, showing a metallicity dispersion and no presence of multiple stellar populations. Typhon stars display enhanced α-element abundances and increasing r-process abundances with increasing metallicity. The high-α abundances suggest a short star formation duration for Typhon, but this is at odds with expectations for the distant Milky Way halo and the presence of delayed r-process enrichment. If the progenitor of Typhon is indeed a new dwarf galaxy, possible scenarios explaining this apparent contradiction include a dynamical interaction that increases Typhon’s orbital energy, a burst of enhanced late-time star formation that raises [α/Fe], and/or group pre-processing by another dwarf galaxy before infall into the Milky Way. Alternatively, Typhon could be the high-energy tail of a more massive disrupted dwarf galaxy that lost energy through dynamical friction. We cannot clearly identify a known low-energy progenitor of Typhon in the Milky Way, but 70 per cent of high-apocentre stars in cosmological simulations are from high-energy tails of large dwarf galaxies. Typhon’s surprising combination of kinematics and chemistry thus underscores the need to fully characterize the dynamical history and detailed abundances of known substructures before identifying the origin of new substructures.

Astronomy & Astrophysics↗

Composition, Growth, Succession, and Function in the Cladophora Microbiome: Insights From Quantitative Stable Isotope Probing and NanoSIMS Imaging

The branching green macroalga Cladophora glomerata and its epiphytic microbiome dominate summer biomass in the Eel River, a Northern California river under Mediterranean (summer drought, winter rain) seasonality. Green Cladophora streamers proliferate in early summer, then change to yellow and then red-brown as epiphyte loads increase. Here, we characterised successional changes in epiphytic bacteria on Cladophora, examining both community composition and growth rates, using quantitative Stable Isotope Probing (qSIP) and 16S rRNA gene amplicon sequencing. The number of bacterial taxa increased with succession while growth rates peaked in the middle stage. NanoSIMS imaging confirmed high sulphur (S) concentrations in Cladophora cell walls relative to surrounding biomass, coinciding with a bloom of sulphur bacteria (bacteria that reduce or oxidise sulphur/sulphates). In general, relative abundances and growth rates were independent, indicating that either metric alone is insufficient for understanding how taxonomy and functional groups affect ecosystem processes. For instance, the relative abundance of nitrogen fixers peaked in the late summer when their relative growth rates were slowest. Such patterns may be driven by space competition limiting growth. Together, changes in abundance and relative growth rates suggest different limiting factors for different functional groups in the Cladophora microbiome at multiple successional stages.

Biological and medical sciences↗

Enumeration as a Tool for Structure Solution: A Materials Genomic Approach to Solving the Cation-Ordered Structure of Na 3 V 2 (PO 4 ) 2 F 3

While powder diffraction methods are routinely utilized to optimize structural models for compounds whose crystal structures are known, the determination of unknown structures is far more challenging. When the unknown structure is large, structure solution can become a virtually intractable problem using standard structure solution methodologies, especially when the space group cannot be unambiguously resolved. One such system is the promising Na-ion battery cathode material Na 3 V 2 (PO 4 ) 2 F 3 whose high temperature and room temperature structures were previously solved, but whose more complex low-temperature structure could not be determined. Here, a novel materials genomic approach is demonstrated for the solution of the unknown 100 K structure of Na 3 V 2 (PO 4 ) 2 F 3 in which enumeration methods are first used to generate a large number (~3,000) of trial structures based on plausible orderings of Na ions and then automated Rietveld refinements are carried out to optimize each of these trial structures. Based on both the analysis of the ensemble of optimized trial structures and the density functional theory energy minimization of selected trial structures, the 100 K structure of Na 3 V 2 (PO 4 ) 2 F 3 is best described as belonging to the space group A2 1 am with unit cell dimensions of a = 9.01928(4), b = 27.1379(1), c = 10.73307(5). The 100 K unit cell has a large volume of 2627.07(2) Å 3 with Z = 12 and 33 independent crystallographic sites (9 Na, 3 V, 3 P, 12 O, and 6 F) that is 3x and 6x larger than the room- and high-temperature polymorphs of this phase, respectively. Finally, the novel methods described here will be generally applicable for the solution of the complex cation-ordered structures that commonly occur for battery materials.

36 MATERIALS SCIENCE↗

The tier system: a host development framework for bioengineering

Development of microorganisms into mature bioproduction host strains has typically been a slow and circuitous process, wherein multiple groups apply disparate approaches with minimal coordination over decades. To help organize and streamline host development efforts, we introduce the Tier System for Host Development, a conceptual model and guide for developing microbial hosts that can ultimately lead to a systematic, standardized, less expensive, and more rapid workflow. The Tier System is made up of three Tiers, each consisting of a unique set of strain development Targets, including experimental tools, strain properties, experimental information, and process models. By introducing the Tier System, we hope to improve host development activities through standardization and systematization pertaining to nontraditional chassis organisms.

09 BIOMASS FUELS↗

Exploring the kinetics of actinyl–EDTA reduction by ferrous iron using quantum-mechanical calculations

Here, the reduction of An(VI) (An = U, Np, and Pu) to An(IV) significantly decreases its solubility and mobility. This reaction can be hindered by complexation with inorganic (e.g., carbonate) or organic ligands. Ethylenediaminetetraacetic acid (EDTA) is one such organic ligand that forms stable complexes with actinides. Therefore, it may enhance the mobility of actinides. However, the redox kinetics and mechanisms of actinyl (An(V/VI)O 2 +/2+ )–EDTA are not well characterized yet and are thus studied here using quantum-mechanical calculations. The principle is to approach the actinyl–EDTA and Fe 2+ (reductant) in small incremental steps and calculate the system energy at each distance. The overall reaction is then delineated into sub-processes (encounter frequency in bulk solution, formation of outer-sphere complex, transition from outer- to inner-sphere complex, and electron transfer), and reaction rates are determined for each sub-process. The formation of outer-sphere complexes occurs rapidly in microseconds to seconds over a wide range of actinyl concentrations (pM to μM); in contrast, the transition to the inner-sphere complex is relatively slow (milliseconds to a few seconds). Immediate electron transfer to form the pentavalent actinide is observed along the reaction path for Np(VI) and Pu(VI), but not for U(VI). Surprisingly, in acidic conditions, one of the carboxylic groups gets protonated in EDTA of [UO 2 (edta)] 2- rather than one of the amino groups. This process-based series of calculations can be applied to any redox reaction and allows the prediction of changes to the rate law and rate-limiting step in a more fundamental way for different environments

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

HEP Software Foundation Community White Paper Working Group - Data Analysis and Interpretation

At the heart of experimental high energy physics (HEP) is the development of facilities and instrumentation that provide sensitivity to new phenomena. Our understanding of nature at its most fundamental level is advanced through the analysis and interpretation of data from sophisticated detectors in HEP experiments. The goal of data analysis systems is to realize the maximum possible scientific potential of the data within the constraints of computing and human resources in the least time. To achieve this goal, future analysis systems should empower physicists to access the data with a high level of interactivity, reproducibility and throughput capability. As part of the HEP Software Foundation Community White Paper process, a working group on Data Analysis and Interpretation was formed to assess the challenges and opportunities in HEP data analysis and develop a roadmap for activities in this area over the next decade. In this report, the key findings and recommendations of the Data Analysis and Interpretation Working Group are presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

MJO simulation in CMIP5 climate models: MJO skill metrics and process-oriented diagnosis

The Madden-Julian Oscillation (MJO) simulation diagnostics developed by MJO Working Group and the process-oriented MJO simulation diagnostics developed by MJO Task Force are applied to 37 Coupled Model Intercomparison Project phase 5 (CMIP5) models in order to assess model skill in representing amplitude, period, and coherent eastward propagation of the MJO, and to establish a link between MJO simulation skill and parameterized physical processes. Process-oriented diagnostics include the Relative Humidity Composite based on Precipitation (RHCP), Normalized Gross Moist Stability (NGMS), and the Greenhouse Enhancement Factor (GEF). Numerous scalar metrics are developed to quantify the results. Most CMIP5 models underestimate MJO amplitude, especially when outgoing longwave radiation (OLR) is used in the evaluation, and exhibit too fast phase speed while lacking coherence between eastward propagation of precipitation/convection and the wind field. The RHCP-metric, indicative of the sensitivity of simulated convection to low-level environmental moisture, and the NGMS-metric, indicative of the efficiency of a convective atmosphere for exporting moist static energy out of the column, show robust correlations with a large number of MJO skill metrics. The GEF-metric, indicative of the strength of the column-integrated longwave radiative heating due to cloud-radiation interaction, is also correlated with the MJO skill metrics, but shows relatively lower correlations compared to the RHCP- and NGMS-metrics. Our results suggest that modifications to processes associated with moisture-convection coupling and the gross moist stability might be the most fruitful for improving simulations of the MJO. Though the GEF-metric exhibits lower correlations with the MJO skill metrics, the longwave radiation feedback is highly relevant for simulating the weak precipitation anomaly regime that may be important for the establishment of shallow convection and the transition to deep convection.

54 ENVIRONMENTAL SCIENCES↗