A general ionic liquid pH-zone-refining countercurrent chromatography method for separation of alkaloids from Nelumbo nucifera Gaertn.

PubMed

Fang, Yingtong; Li, Quan; Shao, Qian; Wang, Binghai; Wei, Yun

2017-07-21

The alkaloids from lotus (Nelumbo nucifera Gaertn) are effective in lowering hyperlipemia and level of cholesterol. However, there is not a general method for their separation. In this work, a general ionic liquid pH-zone-refining countercurrent chromatography method for isolation and purification of six alkaloids from the whole lotus plant was successfully established by using ionic liquids as the modifier of the two-phase solvent system. The conditions of ionic liquid pH-zone-refining countercurrent chromatography, involving solvent systems, concentration of retainer and eluter, types of ionic liquids, the content of ionic liquids as well as ionic liquids posttreatment, were optimized to improve extraction efficiency. Finally, the separation of these six alkaloids was performed with a two-phase solvent system composed of n-hexane-ethyl acetate-methanol-water-[C 4 mim][PF 6 ] at a volume ratio of 5:2:2:8:0.1, where 10mM TEA was added to the organic stationary phase as a retainer and 3mM HCl was added to the aqueous mobile phase as an eluter. As a result, six alkaloids including N-nornuciferine, liensinine, nuciferine, isoliensinine, roemerine and neferine were successfully separated with the purities of 97.0%, 90.2%, 94.7%, 92.8%, 90.4% and 95.9%, respectively. The established general method has been respectively applied to the crude samples of lotus leaves and lotus plumules. A total of 37.3mg of liensinine, 57.7mg of isoliensinine and 179.9mg of neferine were successfully purified in one run from 1.00g crude extract of lotus plumule with the purities of 93.2%, 96.5% and 98.8%, respectively. Amount of 45.6mg N-nornuciferine, 21.6mg nuciferine and 11.7mg roemerine was obtained in one step separation from 1.05g crude extract of lotus leaves with the purity of 96.9%, 95.6% and 91.33%, respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

Integrating Climate Change Resilience Features into the Incremental Refinement of an Existing Marine Park

PubMed Central

Beckley, Lynnath E.; Kobryn, Halina T.; Lombard, Amanda T.; Radford, Ben; Heyward, Andrew

2016-01-01

Marine protected area (MPA) designs are likely to require iterative refinement as new knowledge is gained. In particular, there is an increasing need to consider the effects of climate change, especially the ability of ecosystems to resist and/or recover from climate-related disturbances, within the MPA planning process. However, there has been limited research addressing the incorporation of climate change resilience into MPA design. This study used Marxan conservation planning software with fine-scale shallow water (<20 m) bathymetry and habitat maps, models of major benthic communities for deeper water, and comprehensive human use information from Ningaloo Marine Park in Western Australia to identify climate change resilience features to integrate into the incremental refinement of the marine park. The study assessed the representation of benthic habitats within the current marine park zones, identified priority areas of high resilience for inclusion within no-take zones and examined if any iterative refinements to the current no-take zones are necessary. Of the 65 habitat classes, 16 did not meet representation targets within the current no-take zones, most of which were in deeper offshore waters. These deeper areas also demonstrated the highest resilience values and, as such, Marxan outputs suggested minor increases to the current no-take zones in the deeper offshore areas. This work demonstrates that inclusion of fine-scale climate change resilience features within the design process for MPAs is feasible, and can be applied to future marine spatial planning practices globally. PMID:27529820

Estimating changes in urban land and urban population using refined areal interpolation techniques

NASA Astrophysics Data System (ADS)

Zoraghein, Hamidreza; Leyk, Stefan

2018-05-01

The analysis of changes in urban land and population is important because the majority of future population growth will take place in urban areas. U.S. Census historically classifies urban land using population density and various land-use criteria. This study analyzes the reliability of census-defined urban lands for delineating the spatial distribution of urban population and estimating its changes over time. To overcome the problem of incompatible enumeration units between censuses, regular areal interpolation methods including Areal Weighting (AW) and Target Density Weighting (TDW), with and without spatial refinement, are implemented. The goal in this study is to estimate urban population in Massachusetts in 1990 and 2000 (source zones), within tract boundaries of the 2010 census (target zones), respectively, to create a consistent time series of comparable urban population estimates from 1990 to 2010. Spatial refinement is done using ancillary variables such as census-defined urban areas, the National Land Cover Database (NLCD) and the Global Human Settlement Layer (GHSL) as well as different combinations of them. The study results suggest that census-defined urban areas alone are not necessarily the most meaningful delineation of urban land. Instead, it appears that alternative combinations of the above-mentioned ancillary variables can better depict the spatial distribution of urban land, and thus make it possible to reduce the estimation error in transferring the urban population from source zones to target zones when running spatially-refined temporal areal interpolation.

PH-zone-refining counter-current chromatography with a hydrophilic organic/salt-containing two-phase solvent system for preparative separation of polar alkaloids from natural products.

PubMed

Zou, Denglang; Du, Yurong; Kuang, Jianyuan; Sun, Shihao; Ma, Jianbin; Jiang, Renwang

2018-06-08

This study presents an efficient strategy based on pH-zone-refining counter-current chromatography with a hydrophilic organic/salt-containing two-phase system composed of acetonitrile, sodium chloride and water for preparative separation of polar alkaloids from natural products. Acetonitrile-sodium chloride-water system provides a wider range of polarity for polar alkaloids than classical aqueous two-phase systems. It gets rid of the effect of free hydrogen ion, strong ionic strength, hold low viscosity and the sharp retainer border could be formed easily. So acetonitrile-sodium chloride-water system showed great advantages to pH-zone-refining counter-current chromatography for polar alkaloids. The separation of polar indole alkaloids from toad venom was selected as an example to show the advantage and practicability of this strategy. An optimized acetonitrile-sodium chloride-water (54%:5%:41%, w%) system was applied in this study, where 10 mM triethylamine (TEA) as the retainer and 15 mM hydrochloric acid (HCl) as the eluter were added. As a result, three polar indole alkaloids, including 19 mg of serotonin, 45 mg of 5-Hydroxy-N'-methyl tryptamine, 33 mg of bufotenine were simultaneously separated from 500 mg of 5% ethanol elution fraction of toad venom on macroporous resin chromatography, with the purity of 91.3%, 97.5% and 89.4%, respectively. Their structures were identified by spectroscopic analysis. Copyright © 2018 Elsevier B.V. All rights reserved.

Optimization of Melt Treatment for Austenitic Steel Grain Refinement

NASA Astrophysics Data System (ADS)

Lekakh, Simon N.; Ge, Jun; Richards, Von; O'Malley, Ron; TerBush, Jessica R.

2017-02-01

Refinement of the as-cast grain structure of austenitic steels requires the presence of active solid nuclei during solidification. These nuclei can be formed in situ in the liquid alloy by promoting reactions between transition metals (Ti, Zr, Nb, and Hf) and metalloid elements (C, S, O, and N) dissolved in the melt. Using thermodynamic simulations, experiments were designed to evaluate the effectiveness of a predicted sequence of reactions targeted to form precipitates that could act as active nuclei for grain refinement in austenitic steel castings. Melt additions performed to promote the sequential precipitation of titanium nitride (TiN) onto previously formed spinel (Al2MgO4) inclusions in the melt resulted in a significant refinement of the as-cast grain structure in heavy section Cr-Ni-Mo stainless steel castings. A refined as-cast structure consisting of an inner fine-equiaxed grain structure and outer columnar dendrite zone structure of limited length was achieved in experimental castings. The sequential of precipitation of TiN onto Al2MgO4 was confirmed using automated SEM/EDX and TEM analyses.

Morphological ripening of fluid inclusions and coupled zone-refining in quartz crystals revealed by cathodoluminescence imaging: Implications for CL-petrography, fluid inclusion analysis and trace-element geothermometry

NASA Astrophysics Data System (ADS)

Lambrecht, Glenn; Diamond, Larryn William

2014-09-01

Cathodoluminescence (CL) studies have previously shown that some secondary fluid inclusions in luminescent quartz are surrounded by dark, non-luminescent patches, resulting from fracture-sealing by late, trace-element-poor quartz. This finding has led to the tacit generalization that all dark CL patches indicate influx of low temperature, late-stage fluids. In this study we have examined natural and synthetic hydrothermal quartz crystals using CL imaging supplemented by in-situ elemental analysis. The results lead us to propose that all natural, liquid-water-bearing inclusions in quartz, whether trapped on former crystal growth surfaces (i.e., of primary origin) or in healed fractures (i.e., of pseudosecondary or secondary origin), are surrounded by three-dimensional, non-luminescent patches. Cross-cutting relations show that the patches form after entrapment of the fluid inclusions and therefore they are not diagnostic of the timing of fluid entrapment. Instead, the dark patches reveal the mechanism by which fluid inclusions spontaneously approach morphological equilibrium and purify their host quartz over geological time. Fluid inclusions that contain solvent water perpetually dissolve and reprecipitate their walls, gradually adopting low-energy euhedral and equant shapes. Defects in the host quartz constitute solubility gradients that drive physical migration of the inclusions over distances of tens of μm (commonly) up to several mm (rarely). Inclusions thus sequester from their walls any trace elements (e.g., Li, Al, Na, Ti) present in excess of equilibrium concentrations, thereby chemically purifying their host crystals in a process analogous to industrial zone refining. Non-luminescent patches of quartz are left in their wake. Fluid inclusions that contain no liquid water as solvent (e.g., inclusions of low-density H2O vapor or other non-aqueous volatiles) do not undergo this process and therefore do not migrate, do not modify their shapes with time, and are

Changing Urbania: Estimating Changes in Urban Land and Urban Population Using Refined Areal Interpolation Techniques

NASA Astrophysics Data System (ADS)

Zoraghein, H.; Leyk, S.; Balk, D.

2017-12-01

The analysis of changes in urban land and population is important because the majority of future population growth will take place in urban areas. The U.S. Census historically classifies urban land using population density and various land-use criteria. This study analyzes the reliability of census-defined urban lands for delineating the spatial distribution of urban population and estimating its changes over time. To overcome the problem of incompatible enumeration units between censuses, regular areal interpolation methods including Areal Weighting (AW) and Target Density Weighting (TDW), with and without spatial refinement, are implemented. The goal in this study is to estimate urban population in Massachusetts in 1990 and 2000 (source zones), within tract boundaries of the 2010 census (target zones), respectively, to create a consistent time series of comparable urban population estimates from 1990 to 2010. Spatial refinement is done using ancillary variables such as census-defined urban areas, the National Land Cover Database (NLCD) and the Global Human Settlement Layer (GHSL) as well as different combinations of them. The study results suggest that census-defined urban areas alone are not necessarily the most meaningful delineation of urban land. Instead it appears that alternative combinations of the above-mentioned ancillary variables can better depict the spatial distribution of urban land, and thus make it possible to reduce the estimation error in transferring the urban population from source zones to target zones when running spatially-refined temporal areal interpolation.

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multi-zone Reaction Kinetics: Model Derivation and Validation

NASA Astrophysics Data System (ADS)

Rout, Bapin Kumar; Brooks, Geoff; Rhamdhani, M. Akbar; Li, Zushu; Schrama, Frank N. H.; Sun, Jianjun

2018-04-01

A multi-zone kinetic model coupled with a dynamic slag generation model was developed for the simulation of hot metal and slag composition during the basic oxygen furnace (BOF) operation. The three reaction zones (i) jet impact zone, (ii) slag-bulk metal zone, (iii) slag-metal-gas emulsion zone were considered for the calculation of overall refining kinetics. In the rate equations, the transient rate parameters were mathematically described as a function of process variables. A micro and macroscopic rate calculation methodology (micro-kinetics and macro-kinetics) were developed to estimate the total refining contributed by the recirculating metal droplets through the slag-metal emulsion zone. The micro-kinetics involves developing the rate equation for individual droplets in the emulsion. The mathematical models for the size distribution of initial droplets, kinetics of simultaneous refining of elements, the residence time in the emulsion, and dynamic interfacial area change were established in the micro-kinetic model. In the macro-kinetics calculation, a droplet generation model was employed and the total amount of refining by emulsion was calculated by summing the refining from the entire population of returning droplets. A dynamic FetO generation model based on oxygen mass balance was developed and coupled with the multi-zone kinetic model. The effect of post-combustion on the evolution of slag and metal composition was investigated. The model was applied to a 200-ton top blowing converter and the simulated value of metal and slag was found to be in good agreement with the measured data. The post-combustion ratio was found to be an important factor in controlling FetO content in the slag and the kinetics of Mn and P in a BOF process.

Automatic detection and classification of damage zone(s) for incorporating in digital image correlation technique

NASA Astrophysics Data System (ADS)

Bhattacharjee, Sudipta; Deb, Debasis

2016-07-01

Digital image correlation (DIC) is a technique developed for monitoring surface deformation/displacement of an object under loading conditions. This method is further refined to make it capable of handling discontinuities on the surface of the sample. A damage zone is referred to a surface area fractured and opened in due course of loading. In this study, an algorithm is presented to automatically detect multiple damage zones in deformed image. The algorithm identifies the pixels located inside these zones and eliminate them from FEM-DIC processes. The proposed algorithm is successfully implemented on several damaged samples to estimate displacement fields of an object under loading conditions. This study shows that displacement fields represent the damage conditions reasonably well as compared to regular FEM-DIC technique without considering the damage zones.

Grain Refinement of AZ31 Magnesium Alloy Weldments by AC Pulsing Technique

NASA Astrophysics Data System (ADS)

Kishore Babu, N.; Cross, C. E.

2012-11-01

The current study has investigated the influence of alternating current pulsing on the structure and mechanical properties of AZ31 magnesium alloy gas tungsten arc (GTA) weldments. Autogenous full penetration bead-on-plate GTA welds were made under a variety of conditions including variable polarity (VP), variable polarity mixed (VPM), alternating current (AC), and alternating current pulsing (ACPC). AC pulsing resulted in significant refinement of weld metal when compared with the unpulsed conditions. AC pulsing leads to relatively finer and more equiaxed grain structure in GTA welds. In contrast, VP, VPM, and AC welding resulted in predominantly columnar grain structures. The reason for this grain refinement may be attributed to the periodic variations in temperature gradient and solidification rate associated with pulsing as well as weld pool oscillation observed in the ACPC welds. The observed grain refinement was shown to result in an appreciable increase in fusion zone hardness, tensile strength, and ductility.

An unmetasomatized source for the Malaitan alnoeite (Solomon Islands): Petrogenesis involving zone refining, megacryst fractionation, and assimilation of oceanic lithosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neal, C.R.; Davidson, J.P.

The Malaitan alnoite contains a rich and varied megacryst suite of unprecedented compositional range. The authors have undertaken trace element and isotope modeling in order to formulate a petrogenetic scheme which links the host alnoeite to its entrained megacrysts. This requires that a proto-alnoeite magma is the product of zone refining initiated by diapiric upwelling (where the initial melt passes through 200 times its volume of mantle). Isotopic evidence indicates the source of the proto-alnoeite contains a time-integrated LREE-depleted signature. Impingement upon the rigid lithosphere halts or dramatically slows the upward progress of the mantle diapir. At this point, themore » magma cools and megacryst fractionation begins with augites crystallizing first, followed by subcalcic diopsides and finally phlogopites. Garnet probably crystallizes over the entire range of clinopyroxene fractionation. Estimated proportions of fractionating phases are 30% augite, 24.5% subcalcic diopside, 27% garnet, 12.9% phlogopite, 5% bronzite, 0.5% ilmenite, and 0.1% zircon. As this proto-alnoeite magma crystallizes, it assimilates a subducted component of seawater-altered basalt which underplates the Ontong Java Plateau. This is witnessed in the isotopic composition of the megacrysts and alnoeite.« less

Grain Refinement of Magnesium Alloys: A Review of Recent Research, Theoretical Developments, and Their Application

NASA Astrophysics Data System (ADS)

StJohn, D. H.; Easton, M. A.; Qian, M.; Taylor, J. A.

2013-07-01

This paper builds on the "Grain Refinement of Mg Alloys" published in 2005 and reviews the grain refinement research on Mg alloys that has been undertaken since then with an emphasis on the theoretical and analytical methods that have been developed. Consideration of recent research results and current theoretical knowledge has highlighted two important factors that affect an alloy's as-cast grain size. The first factor applies to commercial Mg-Al alloys where it is concluded that impurity and minor elements such as Fe and Mn have a substantially negative impact on grain size because, in combination with Al, intermetallic phases can be formed that tend to poison the more potent native or deliberately added nucleant particles present in the melt. This factor appears to explain the contradictory experimental outcomes reported in the literature and suggests that the search for a more potent and reliable grain refining technology may need to take a different approach. The second factor applies to all alloys and is related to the role of constitutional supercooling which, on the one hand, promotes grain nucleation and, on the other hand, forms a nucleation-free zone preventing further nucleation within this zone, consequently limiting the grain refinement achievable, particularly in low solute-containing alloys. Strategies to reduce the negative impact of these two factors are discussed. Further, the Interdependence model has been shown to apply to a broad range of casting methods from slow cooling gravity die casting to fast cooling high pressure die casting and dynamic methods such as ultrasonic treatment.

Refinement Types ML

DTIC Science & Technology

1994-03-16

105 2.10 Decidability ........ ................................ 116 3 Declaring Refinements of Recursive Data Types 165 3.1...However, when we introduce polymorphic constructors in Chapter 5, tuples will become a polymorphic data type very similar to other polymorphic data types...terminate. 0 Chapter 3 Declaring Refinements of Recursive Data Types 3.1 Introduction The previous chapter defined refinement type inference in terms of

40 CFR 80.1340 - How does a refiner obtain approval as a small refiner?

Code of Federal Regulations, 2010 CFR

2010-07-01

... Provisions § 80.1340 How does a refiner obtain approval as a small refiner? (a) Applications for small refiner status must be submitted to EPA by December 31, 2007. (b) For U.S. Postal delivery, applications... small refiner status application must contain the following information for the company seeking small...

Isolation of a furan fatty acid from Hevea brasiliensis latex employing the combined use of pH-zone-refining and conventional countercurrent chromatography.

PubMed

Englert, Michael; Ulms, Kerstin; Wendlinger, Christine; Vetter, Walter

2016-02-01

Furan fatty acids are valuable and bioactive minor fatty acids that usually contribute <0.1% to the fatty acid content of food samples. Their biological role still remains unclear as authentic furan fatty acid standards are not readily available and thorough experimental studies verifying the relevance of furan fatty acids are thus virtually impossible. An efficient protocol for the isolation of the furan fatty acid 9-(3-methyl-5-pentylfuran-2-yl)-nonanoic acid from hydrolyzed and centrifuged latex of Hevea brasiliensis was developed using countercurrent chromatography. A first run using pH-zone-refining countercurrent chromatography provided 48.4 mg of 9-(3-methyl-5-pentylfuran-2-yl)-nonanoic acid from 210 mg latex extract in a purity of 95%. The purity was increased to 99% by means of one second run in conventional countercurrent chromatography mode. The Structure and purity of 9-(3-methyl-5-pentylfuran-2-yl)-nonanoic acid were determined by gas chromatography coupled to mass spectrometry and (1)H and (13)C NMR spectroscopy. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Preparative isolation of alkaloids from Dactylicapnos scandens using pH-zone-refining counter-current chromatography by changing the length of the separation column.

PubMed

Wang, Xiao; Dong, Hongjing; Yang, Bin; Liu, Dahui; Duan, Wenjuan; Huang, Luqi

2011-12-01

pH-Zone-refining counter-current chromatography was successfully applied for the preparative separation of alkaloids from Dactylicapnos scandens. The two-phase solvent system was composed of petroleum ether-ethyl acetate-methanol-water (3:7:1:9, v/v), where 20 mM of triethylamine (TEA) was added to the upper phase as a retainer and 5 mM of hydrochloric acid (HCl) to the aqueous phase as an eluter. In this experiment, the apparatus with an adjustable length of the separation column was used for the separation of alkaloids from D. scandens and the resolution of the compounds can be remarkably improved by increasing the length of the separation column. As a result, 70 mg protopin, 30 mg (+) corydine, 120 mg (+) isocorydine and 40 mg (+) glaucine were obtained from 1.0 g of the crude extracts and each with 99.2%, 96.5%, 99.3%, 99.5% purity as determined by HPLC. The chemical structures of these compounds were confirmed by positive ESI-MS and (1)H NMR. Copyright © 2011 Elsevier B.V. All rights reserved.

Application of the Refined Zigzag Theory to the Modeling of Delaminations in Laminated Composites

NASA Technical Reports Server (NTRS)

Groh, Rainer M. J.; Weaver, Paul M.; Tessler, Alexander

2015-01-01

The Refined Zigzag Theory is applied to the modeling of delaminations in laminated composites. The commonly used cohesive zone approach is adapted for use within a continuum mechanics model, and then used to predict the onset and propagation of delamination in five cross-ply composite beams. The resin-rich area between individual composite plies is modeled explicitly using thin, discrete layers with isotropic material properties. A damage model is applied to these resin-rich layers to enable tracking of delamination propagation. The displacement jump across the damaged interfacial resin layer is captured using the zigzag function of the Refined Zigzag Theory. The overall model predicts the initiation of delamination to within 8% compared to experimental results and the load drop after propagation is represented accurately.

78 FR 25698 - Foreign-Trade Zone 99-Wilmington, Delaware; Application for Expansion of Subzone 99E; Delaware...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-02

... DEPARTMENT OF COMMERCE Foreign-Trade Zones Board [B-38-2013] Foreign-Trade Zone 99--Wilmington, Delaware; Application for Expansion of Subzone 99E; Delaware City Refining Company LLC; New Castle County... (grantee of FTZ 99), through the Delaware Economic Development Office, requesting the expansion of Subzone...

Large-scale separation of antipsychotic alkaloids from Rauwolfia tetraphylla L. by pH-zone-refining fast centrifugal partition chromatography.

PubMed

Maurya, Anupam; Gupta, Shikha; Srivastava, Santosh K

2013-01-01

pH-zone-refining centrifugal partition chromatography was successively applied in the large-scale separation of close R(f) antipsychotic indole alkaloids directly from CHCl(3) fraction of Rauwolfia tetraphylla leaves. Two experiments with increasing mass from 500 mg to 3 g of crude alkaloid extracts (1C) of R. tetraphylla were carried out in normal-displacement mode using a two-phase solvent system composed of methyl tert-butyl ether/ACN/water (4:1:5, v/v/v) where HCl (12 mM) was added to the lower aqueous stationary phase as a retainer and triethylamine (5 mM) to the organic mobile phase as an eluter. The two centrifugal partition chromatography separations afforded a total of 162.6 mg of 10-methoxytetrahydroalstonine (1) and 296.5 mg of isoreserpiline (2) in 97% and 95.5% purity, respectively, along with a 400.9 mg mixture of α-yohimbine and reserpiline (3 and 4). Further, this mixture was resolved over medium pressure LC using TLC grade silica gel H (average particle size 10 μm), which afforded 160.4 mg of α-yohimbine (3) and 150.2 mg of reserpiline (4) in >95% purities. The purity of the isolated antipsychotic alkaloids was analyzed by high-performance LC and their structures were characterized on the basis of their 1D, 2D NMR and electrospray ionization-mass spectroscopic data. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Computer simulation of refining process of a high consistency disc refiner based on CFD

NASA Astrophysics Data System (ADS)

Wang, Ping; Yang, Jianwei; Wang, Jiahui

2017-08-01

In order to reduce refining energy consumption, the ANSYS CFX was used to simulate the refining process of a high consistency disc refiner. In the first it was assumed to be uniform Newton fluid of turbulent state in disc refiner with the k-ɛ flow model; then meshed grids and set the boundary conditions in 3-D model of the disc refiner; and then was simulated and analyzed; finally, the viscosity of the pulp were measured. The results show that the CFD method can be used to analyze the pressure and torque on the disc plate, so as to calculate the refining power, and streamlines and velocity vectors can also be observed. CFD simulation can optimize parameters of the bar and groove, which is of great significance to reduce the experimental cost and cycle.

Human Lymphoid Translocation Fragile Zones Are Hypomethylated and Have Accessible Chromatin

PubMed Central

Lu, Zhengfei; Tsai, Albert G.; Pardo, Carolina E.; Müschen, Markus; Kladde, Michael P.

2015-01-01

Chromosomal translocations are a hallmark of hematopoietic malignancies. CG motifs within translocation fragile zones (typically 20 to 600 bp in size) are prone to chromosomal translocation in lymphomas. Here we demonstrate that the CG motifs in human translocation fragile zones are hypomethylated relative to the adjacent DNA. Using a methyltransferase footprinting assay on isolated nuclei (in vitro), we find that the chromatin at these fragile zones is accessible. We also examined in vivo accessibility using cellular expression of a prokaryotic methylase. Based on this assay, which measures accessibility over a much longer time interval than is possible with in vitro methods, these fragile zones were found to be more accessible than the adjacent DNA. Because DNA within the fragile zones can be methylated by both cellular and exogenous methyltransferases, the fragile zones are predominantly in a duplex DNA conformation. These observations permit more-refined models for why these zones are 100- to 1,000-fold more prone to undergo chromosomal translocation than the adjacent regions. PMID:25624348

The Revalidation of an Instrument to Measure Zones of Indifference of Teachers to Directives Issued by Administrators.

ERIC Educational Resources Information Center

Wilkes, Sam T.; Blackbourn, Joe M.

This project attempts to refine the Zones of Indifference Instrument, (included in appendix) that measures zones of indifference of teachers to typical directives issued by administrators. As a result of the original validation study, a 78-item, two-factor instrument was developed. These two factors explained 52 percent of the variance. The…

Whole grains, refined grains and fortified refined grains: What's the difference?

PubMed

Slavin, J L

2000-09-01

Dietary guidance universally supports the importance of grains in the diet. The United States Department of Agriculture pyramid suggests that Americans consume from six to 11 servings of grains per day, with three of these servings being whole grain products. Whole grain contains the bran, germ and endosperm, while refined grain includes only endosperm. Both refined and whole grains can be fortified with nutrients to improve the nutrient profile of the product. Most grains consumed in developed countries are subjected to some type of processing to optimize flavor and provide shelf-stable products. Grains provide important sources of dietary fibre, plant protein, phytochemicals and needed vitamins and minerals. Additionally, in the United States grains have been chosen as the best vehicle to fortify our diets with vitamins and minerals that are typically in short supply. These nutrients include iron, thiamin, niacin, riboflavin and, more recently, folic acid and calcium. Grains contain antioxidants, including vitamins, trace minerals and non-nutrients such as phenolic acids, lignans and phytic acid, which are thought to protect against cardiovascular disease and cancer. Additionally, grains are our most dependable source of phytoestrogens, plant compounds known to protect against cancers such as breast and prostate. Grains are rich sources of oligosaccharides and resistant starch, carbohydrates that function like dietary fibre and enhance the intestinal environment and help improve immune function. Epidemiological studies find that whole grains are more protective than refined grains in the prevention of chronic disease, although instruments to define intake of refined, whole and fortified grains are limited. Nutritional guidance should support whole grain products over refined, with fortification of nutrients improving the nutrient profile of both refined and whole grain products.

Brillouin zone grid refinement for highly resolved ab initio THz optical properties of graphene

NASA Astrophysics Data System (ADS)

Warmbier, Robert; Quandt, Alexander

2018-07-01

Optical spectra of materials can in principle be calculated within numerical frameworks based on Density Functional Theory. The huge numerical effort involved in these methods severely constraints the accuracy achievable in practice. In the case of the THz spectrum of graphene the primary limitation lays in the density of the reciprocal space sampling. In this letter we have developed a non-uniform sampling using grid refinement to achieve a high local sampling density with only moderate numerical effort. The resulting THz electron energy loss spectrum shows a plasmon signal below 50 meV with a ω(q) ∝√{ q } dispersion relation.

GalaxyRefineComplex: Refinement of protein-protein complex model structures driven by interface repacking.

PubMed

Heo, Lim; Lee, Hasup; Seok, Chaok

2016-08-18

Protein-protein docking methods have been widely used to gain an atomic-level understanding of protein interactions. However, docking methods that employ low-resolution energy functions are popular because of computational efficiency. Low-resolution docking tends to generate protein complex structures that are not fully optimized. GalaxyRefineComplex takes such low-resolution docking structures and refines them to improve model accuracy in terms of both interface contact and inter-protein orientation. This refinement method allows flexibility at the protein interface and in the overall docking structure to capture conformational changes that occur upon binding. Symmetric refinement is also provided for symmetric homo-complexes. This method was validated by refining models produced by available docking programs, including ZDOCK and M-ZDOCK, and was successfully applied to CAPRI targets in a blind fashion. An example of using the refinement method with an existing docking method for ligand binding mode prediction of a drug target is also presented. A web server that implements the method is freely available at http://galaxy.seoklab.org/refinecomplex.

A refined model for Kilauea's magma plumbing system

NASA Astrophysics Data System (ADS)

Poland, M. P.; Miklius, A.; Montgomery-Brown, E. D.

2011-12-01

Studies of the magma plumbing system of Kilauea have benefitted from the volcano's frequent eruptive activity, ease of access, and particularly the century-long observational record made possible by the Hawaiian Volcano Observatory. The explosion of geophysical data, especially seismic and geodetic, collected since the first model of Kilauea's magmatic system was published in 1960 allows for a detailed characterization of Kilauea's magma storage areas and transport pathways. Using geological, geochemical, and geophysical observations, we propose a detailed model of Kilauea's magma plumbing that we hope will provide a refined framework for studies of Kilauea's eruptive and intrusive activity. Kilauea's summit region is underlain by two persistently active, hydraulically linked magma storage areas. The larger reservoir is centered at ~3 km depth beneath the south caldera and is connected to Kilauea's two rift zones, which radiate from the summit to the east and southwest. All magma that enters the Kilauea edifice passes through this primary storage area before intrusion or eruption. During periods of increased magma storage at the summit, as was the case during 2003-2007, uplift may occur above temporary magma storage volumes, for instance, at the intersection of the summit and east rift zone at ~3 km depth, and within the southwest rift zone at ~2 km depth. The east rift zone is the longer and more active of Kilauea's two rift zones and apparently receives more magma from the summit. Small, isolated pods of magma exist within both rift zones, as indicated by deformation measurements, seismicity, petrologic data, and geothermal drilling results. These magma bodies are probably relicts of past intrusions and eruptions and can be highly differentiated. Within the deeper part of the rift zones, between about 3 km and 9 km depth, magma accumulation is hypothesized based on surface deformation indicative of deep rift opening. There is no direct evidence for magma within

Effect of zirconium addition on welding of aluminum grain refined by titanium plus boron

NASA Astrophysics Data System (ADS)

Zaid, A. I. O.

2014-06-01

Aluminum oxidizes freely in ordinary atmosphere which makes its welding difficult and weak, particularly it solidifies in columnar structure with large grains. Therefore, it is anticipated that the effect of addition of some grain refiners to its melt before solidification is worth while investigating as it may enhance its weldabilty and improve its mechanical strength. In this paper, the effect of addition of zirconium at a weight of 0.1% (which corresponds to the peretictic limit on the aluminum-zirconium base phase diagram) to commercially pure aluminum, grain refined by Ti+B on its weldability, using gas tungsten arc welding, GTAW, method which was formerly known as TIG. A constant current level of 30 AC Ampere was used because it removes the oxides during the welding process. Metallographic examination of the weldments of the different combinations of Al with Al and Al with its microalloys: in the heat affected zone, HAZ, and away from it was carried out and examined for HAZ width, porosity, cracks and microhardness. It was found that grain refining by Ti+B or Zr resulted in enhancement of the weldment.

Layered intrusion formation by top down thermal migration zone refining (Invited)

NASA Astrophysics Data System (ADS)

Lundstrom, C.

2009-12-01

The formation of layered mafic intrusions by crystallization from cooling magmas represents the textbook example of igneous differentiation, often attributed to fractional crystallization through gravitational settling. Yet in detail, such interpretations have significant problems such that it remains unclear how these important features form. Put in the Earth perspective that no km scale blob of >50% melt has ever been imaged geophysically and that geochronological studies repeatedly indicate age inconsistencies with “big tank” magma chambers, it may be questioned if km scale magma chambers have ever existed. I will present the case for forming layered intrusions by a top down process whereby arriving basaltic magma reaches a permeability barrier, begins to underplate and forms the intrusion incrementally by sill injection with the body growing downward at ~1 mm/yr rate or less. A temperature gradient zone occurs in the overlying previously emplaced sills, leading to chemical components migrating by diffusion. As long as the rate of diffusion can keep up with rate of sill addition, the body will differentiate along a path similar to a liquid line of descent. In this talk, I will integrate data from 3 areas: 1) laboratory experiments examining the behavior of partially molten silicates in a temperature gradient (thermal migration); 2) numerical modeling of the moving temperature gradient zone process using IRIDIUM (Boudreau, 2003); 3) measurements of Fe isotope ratios and geochronology from the Sonju Lake Intrusion in the Duluth Complex. This model provides the ability to form km scale intrusions by a seismically invisible means, can explain million year offsets in chronology, and has implications for reef development and PGE concentration. Most importantly, this model of top down layered intrusion formation, following a similar recent proposal for granitoid formation (Lundstrom, 2009), represents a testable hypothesis: because temperature gradient driven

Effect of Friction Stir Processing on Microstructure and Mechanical Properties of AZ91C Magnesium Cast Alloy Weld Zone

NASA Astrophysics Data System (ADS)

Hassani, Behzad; Karimzadeh, Fathallah; Enayati, Mohammad Hossein; Sabooni, Soheil; Vallant, Rudolf

2016-07-01

In this study, friction stir processing (FSP) was applied to the GTAW (TIG)-welded AZ91C cast alloy to refine the microstructure and optimize the mechanical properties of the weld zone. Microstructural investigation of the samples was performed by optical microscopy and the phases in the microstructure were determined by x-ray diffraction (XRD). The microstructural evaluations showed that FSP destroys the coarse dendritic microstructure. Furthermore, it dissolves the secondary hard and brittle β-Mg17Al12 phase existing at grain boundaries of the TIG weld zone. The closure and decrease in amount of porosities along with the elimination of the cracks in the microstructure were observed. These changes were followed by a significant grain refinement to an average value of 11 µm. The results showed that the hardness values increased to the mean ones, respectively, for as-cast (63 Hv), TIG weld zone (67 Hv), and stir zone (79 Hv). The yield and ultimate strength were significantly enhanced after FSP. The fractography evaluations, by scanning electron microscopy (SEM), indicated to a transition from brittle to ductile fracture surface after applying FSP to the TIG weld zone.

US refining margin trend: austerity continues

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

Should crude oil prices hold near current levels in 1988, US refining margins might improve little, if at all. If crude oil prices rise, margins could blush pink or worse. If they drop, US refiners would still probably not see much margin improvement. In fact, if crude prices fall, they could set off another free fall in products markets and threaten refiner survival. Volatility in refined products markets and low product demand growth are the underlying reasons for caution or pessimism as the new year approaches. Recent directional patterns in refining margins are scrutinized in this issue. This issue alsomore » contains the following: (1) the ED refining netback data for the US Gulf and West Coasts, Rotterdam, and Singapore for late November, 1987; and (2) the ED fuel price/tax series for countries of the Eastern Hemisphere, November, 1987 edition. 4 figures, 6 tables.« less

40 CFR 80.551 - How does a refiner obtain approval as a small refiner under this subpart?

Code of Federal Regulations, 2014 CFR

2014-07-01

... application for small refiner status. EPA may accept such alternate data at its discretion. (4) For motor... a small refiner under this subpart? 80.551 Section 80.551 Protection of Environment ENVIRONMENTAL... Diesel Fuel; Nonroad, Locomotive, and Marine Diesel Fuel; and ECA Marine Fuel Small Refiner Hardship...

40 CFR 80.551 - How does a refiner obtain approval as a small refiner under this subpart?

Code of Federal Regulations, 2011 CFR

2011-07-01

... application for small refiner status. EPA may accept such alternate data at its discretion. (4) For motor... a small refiner under this subpart? 80.551 Section 80.551 Protection of Environment ENVIRONMENTAL... Diesel Fuel; Nonroad, Locomotive, and Marine Diesel Fuel; and ECA Marine Fuel Small Refiner Hardship...

40 CFR 80.551 - How does a refiner obtain approval as a small refiner under this subpart?

Code of Federal Regulations, 2013 CFR

2013-07-01

... application for small refiner status. EPA may accept such alternate data at its discretion. (4) For motor... a small refiner under this subpart? 80.551 Section 80.551 Protection of Environment ENVIRONMENTAL... Diesel Fuel; Nonroad, Locomotive, and Marine Diesel Fuel; and ECA Marine Fuel Small Refiner Hardship...

40 CFR 80.551 - How does a refiner obtain approval as a small refiner under this subpart?

Code of Federal Regulations, 2012 CFR

2012-07-01

... application for small refiner status. EPA may accept such alternate data at its discretion. (4) For motor... a small refiner under this subpart? 80.551 Section 80.551 Protection of Environment ENVIRONMENTAL... Diesel Fuel; Nonroad, Locomotive, and Marine Diesel Fuel; and ECA Marine Fuel Small Refiner Hardship...

Firing of pulverized solvent refined coal

DOEpatents

Derbidge, T. Craig; Mulholland, James A.; Foster, Edward P.

1986-01-01

An air-purged burner for the firing of pulverized solvent refined coal is constructed and operated such that the solvent refined coal can be fired without the coking thereof on the burner components. The air-purged burner is designed for the firing of pulverized solvent refined coal in a tangentially fired boiler.

40 CFR 80.1340 - How does a refiner obtain approval as a small refiner?

Code of Federal Regulations, 2012 CFR

2012-07-01

... EPA with appropriate data to correct the record when the company submits its application for small... a small refiner? 80.1340 Section 80.1340 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Small Refiner...

A Refined Cauchy-Schwarz Inequality

ERIC Educational Resources Information Center

Mercer, Peter R.

2007-01-01

The author presents a refinement of the Cauchy-Schwarz inequality. He shows his computations in which refinements of the triangle inequality and its reverse inequality are obtained for nonzero x and y in a normed linear space.

Refined geometric transition and qq-characters

NASA Astrophysics Data System (ADS)

Kimura, Taro; Mori, Hironori; Sugimoto, Yuji

2018-01-01

We show the refinement of the prescription for the geometric transition in the refined topological string theory and, as its application, discuss a possibility to describe qq-characters from the string theory point of view. Though the suggested way to operate the refined geometric transition has passed through several checks, it is additionally found in this paper that the presence of the preferred direction brings a nontrivial effect. We provide the modified formula involving this point. We then apply our prescription of the refined geometric transition to proposing the stringy description of doubly quantized Seiberg-Witten curves called qq-characters in certain cases.

40 CFR 80.551 - How does a refiner obtain approval as a small refiner under this subpart?

Code of Federal Regulations, 2010 CFR

2010-07-01

...) Applications for motor vehicle diesel fuel small refiner status must be submitted to EPA by December 31, 2001. (ii) Applications for NRLM diesel fuel small refiner status must be submitted to EPA by December 31, 2004. (2)(i) In the case of a refiner who acquires or reactivates a refinery that was shutdown or non...

Refining of metallurgical-grade silicon

NASA Technical Reports Server (NTRS)

Dietl, J.

1986-01-01

A basic requirement of large scale solar cell fabrication is to provide low cost base material. Unconventional refining of metallurical grade silicon represents one of the most promising ways of silicon meltstock processing. The refining concept is based on an optimized combination of metallurgical treatments. Commercially available crude silicon, in this sequence, requires a first pyrometallurgical step by slagging, or, alternatively, solvent extraction by aluminum. After grinding and leaching, high purity qualtiy is gained as an advanced stage of refinement. To reach solar grade quality a final pyrometallurgical step is needed: liquid-gas extraction.

40 CFR 80.1340 - How does a refiner obtain approval as a small refiner?

Code of Federal Regulations, 2014 CFR

2014-07-01

... (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Small Refiner... for small refiner status must be sent to: Attn: MSAT2 Benzene, Mail Stop 6406J, U.S. Environmental Protection Agency, 1200 Pennsylvania Ave., NW., Washington, DC 20460. For commercial delivery: MSAT2 Benzene...

40 CFR 80.1340 - How does a refiner obtain approval as a small refiner?

Code of Federal Regulations, 2011 CFR

2011-07-01

... (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Small Refiner... for small refiner status must be sent to: Attn: MSAT2 Benzene, Mail Stop 6406J, U.S. Environmental Protection Agency, 1200 Pennsylvania Ave., NW., Washington, DC 20460. For commercial delivery: MSAT2 Benzene...

40 CFR 80.1340 - How does a refiner obtain approval as a small refiner?

Code of Federal Regulations, 2013 CFR

2013-07-01

... (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Small Refiner... for small refiner status must be sent to: Attn: MSAT2 Benzene, Mail Stop 6406J, U.S. Environmental Protection Agency, 1200 Pennsylvania Ave., NW., Washington, DC 20460. For commercial delivery: MSAT2 Benzene...

Solidification Based Grain Refinement in Steels

DTIC Science & Technology

2009-07-24

pearlite (See Figure 1). No evidence of the as-cast austenite dendrite structure was observed. The gating system for this sample resides at the thermal...possible nucleating compounds. 3) Extend grain refinement theory and solidification knowledge through experimental data. 4) Determine structure ...refine the structure of a casting through heat treatment. The energy required for grain refining via thermomechanical processes or heat treatment

40 CFR 80.1344 - What provisions are available to a non-small refiner that acquires one or more of a small refiner...

Code of Federal Regulations, 2010 CFR

2010-07-01

...-small refiner that acquires one or more of a small refiner's refineries? 80.1344 Section 80.1344... available to a non-small refiner that acquires one or more of a small refiner's refineries? (a) In the case of a refiner that is not an approved small refiner under § 80.1340 and that acquires a refinery from...

40 CFR 80.555 - What provisions are available to a large refiner that acquires a small refiner or one or more of...

Code of Federal Regulations, 2010 CFR

2010-07-01

... large refiner that acquires a small refiner or one or more of its refineries? 80.555 Section 80.555... that acquires a small refiner or one or more of its refineries? (a) In the case of a refiner without approved small refiner status who acquires a refinery from a refiner with approved status as a motor...

Technical Considerations for Filler and Neuromodulator Refinements

PubMed Central

Wilson, Anthony J.; Chang, Brian L.; Percec, Ivona

2016-01-01

Background: The toolbox for cosmetic practitioners is growing at an unprecedented rate. There are novel products every year and expanding off-label indications for neurotoxin and soft-tissue filler applications. Consequently, aesthetic physicians are increasingly challenged by the task of selecting the most appropriate products and techniques to achieve optimal patient outcomes. Methods: We employed a PubMed literature search of facial injectables from the past 10 years (2005–2015), with emphasis on those articles embracing evidence-based medicine. We evaluated the scientific background of every product and the physicochemical properties that make each one ideal for specific indications. The 2 senior authors provide commentary regarding their clinical experience with specific technical refinements of neuromodulators and soft-tissue fillers. Results: Neurotoxins and fillers are characterized by unique physical characteristics that distinguish each product. This results in subtle but important differences in their clinical applications. Specific indications and recommendations for the use of the various neurotoxins and soft-tissue fillers are reviewed. The discussion highlights refinements in combination treatments and product physical modifications, according to specific treatment zones. Conclusions: The field of facial aesthetics has evolved dramatically, mostly secondary to our increased understanding of 3-dimensional structural volume restoration. Our work reviews Food and Drug Administration–approved injectables. In addition, we describe how to modify products to fulfill specific indications such as treatment of the mid face, décolletage, hands, and periorbital regions. Although we cannot directly evaluate the duration or exact physical properties of blended products, we argue that “product customization” is safe and provides natural results with excellent patient outcomes. PMID:28018778

Enhanced service zone architecture for multiservices over IP

NASA Astrophysics Data System (ADS)

Michaely, Boaz; Mohan, Seshadri

2001-07-01

Recently, the field of IP Telephony has been experienced considerable evolution through the specification of new protocols and introduction of products implementing these protocols. We visualize IP Telephony evolving to soon offer multiservices encompassing not only voice, but also data, video and multimedia. While the progress has focused on refining protocols and architectures, very little attention has been given to business models for offering these services. This paper introduces the concept of a Service Zone, which from a service provider/network operator perspective fits within the operator's administrative domain, but is viewed as an independent zone with its own management and services, requiring minimal integration with the core network services. Besides its own management, the Enhanced Services Zone may also provide provisioning and maintenance features needed to provide the customer services and availability that subscribers expect from a telephony service providers. The platform must provide reliable service over time, be scalable to meet increased capacity demands, and be upgradeable to incorporate advanced services and features as they become available. Signaling flows are illustrated using SIP and H.323.

Adaptive Mesh Refinement for Microelectronic Device Design

NASA Technical Reports Server (NTRS)

Cwik, Tom; Lou, John; Norton, Charles

1999-01-01

Finite element and finite volume methods are used in a variety of design simulations when it is necessary to compute fields throughout regions that contain varying materials or geometry. Convergence of the simulation can be assessed by uniformly increasing the mesh density until an observable quantity stabilizes. Depending on the electrical size of the problem, uniform refinement of the mesh may be computationally infeasible due to memory limitations. Similarly, depending on the geometric complexity of the object being modeled, uniform refinement can be inefficient since regions that do not need refinement add to the computational expense. In either case, convergence to the correct (measured) solution is not guaranteed. Adaptive mesh refinement methods attempt to selectively refine the region of the mesh that is estimated to contain proportionally higher solution errors. The refinement may be obtained by decreasing the element size (h-refinement), by increasing the order of the element (p-refinement) or by a combination of the two (h-p refinement). A successful adaptive strategy refines the mesh to produce an accurate solution measured against the correct fields without undue computational expense. This is accomplished by the use of a) reliable a posteriori error estimates, b) hierarchal elements, and c) automatic adaptive mesh generation. Adaptive methods are also useful when problems with multi-scale field variations are encountered. These occur in active electronic devices that have thin doped layers and also when mixed physics is used in the calculation. The mesh needs to be fine at and near the thin layer to capture rapid field or charge variations, but can coarsen away from these layers where field variations smoothen and charge densities are uniform. This poster will present an adaptive mesh refinement package that runs on parallel computers and is applied to specific microelectronic device simulations. Passive sensors that operate in the infrared portion of

48 CFR 208.7304 - Refined precious metals.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 48 Federal Acquisition Regulations System 3 2011-10-01 2011-10-01 false Refined precious metals... Government-Owned Precious Metals 208.7304 Refined precious metals. See PGI 208.7304 for a list of refined precious metals managed by DSCP. [71 FR 39005, July 11, 2006] ...

48 CFR 208.7304 - Refined precious metals.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 48 Federal Acquisition Regulations System 3 2010-10-01 2010-10-01 false Refined precious metals... Government-Owned Precious Metals 208.7304 Refined precious metals. See PGI 208.7304 for a list of refined precious metals managed by DSCP. [71 FR 39005, July 11, 2006] ...

Improved hydrocracker temperature control: Mobil quench zone technology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarli, M.S.; McGovern, S.J.; Lewis, D.W.

1993-01-01

Hydrocracking is a well established process in the oil refining industry. There are over 2.7 million barrels of installed capacity world-wide. The hydrocracking process comprises several families of highly exothermic reactions and the total adiabatic temperature rise can easily exceed 200 F. Reactor temperature control is therefore very important. Hydrocracking reactors are typically constructed with multiple catalyst beds in series. Cold recycle gas is usually injected between the catalyst beds to quench the reactions, thereby controlling overall temperature rise. The design of this quench zone is the key to good reactor temperature control, particularly when processing poorer quality, i.e., highermore » heat release, feeds. Mobil Research and Development Corporation (MRDC) has developed a robust and very effective quench zone technology (QZT) package, which is now being licensed to the industry for hydrocracking applications.« less

Refined sugar intake in Australian children.

PubMed

Somerset, Shawn M

2003-12-01

To estimate the intake of refined sugar in Australian children and adolescents, aged 2-18 years. Foods contributing to total sugar intake were identified using data from the National Nutrition Survey 1995 (NNS95), the most recent national dietary survey of the Australian population. The top 100 foods represented means of 85% (range 79-91%) and 82% (range 78-85%) of total sugar intake for boys and girls, respectively. Using published Australian food composition data (NUTTAB95), the proportion of total sugar being refined sugar was estimated for each food. Where published food composition data were not available, calculations from ingredients and manufacturer's information were used. The NNS95 assessed the dietary intake of a random sample of the Australian population, aged 2-18 years (n=3007). Mean daily intakes of refined sugar ranged from 26.9 to 78.3 g for 2-18-year-old girls, representing 6.6-14.8% of total energy intake. Corresponding figures for boys were 27.0 to 81.6 g and 8.0-14.0%, respectively. Of the 10 highest sources of refined sugar for each age group, sweetened beverages, especially cola-type beverages, were the most prominent. Refined sugar is an important contributor to dietary energy in Australian children. Sweetened beverages such as soft drinks and cordials were substantial sources of refined sugar and represent a potential target for campaigns to reduce refined sugar intake. Better access to information on the amounts of sugar added to processed food is essential for appropriate monitoring of this important energy source.

A template-based approach for parallel hexahedral two-refinement

DOE PAGES

Owen, Steven J.; Shih, Ryan M.; Ernst, Corey D.

2016-10-17

Here, we provide a template-based approach for generating locally refined all-hex meshes. We focus specifically on refinement of initially structured grids utilizing a 2-refinement approach where uniformly refined hexes are subdivided into eight child elements. The refinement algorithm consists of identifying marked nodes that are used as the basis for a set of four simple refinement templates. The target application for 2-refinement is a parallel grid-based all-hex meshing tool for high performance computing in a distributed environment. The result is a parallel consistent locally refined mesh requiring minimal communication and where minimum mesh quality is greater than scaled Jacobian 0.3more » prior to smoothing.« less

A template-based approach for parallel hexahedral two-refinement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Owen, Steven J.; Shih, Ryan M.; Ernst, Corey D.

Here, we provide a template-based approach for generating locally refined all-hex meshes. We focus specifically on refinement of initially structured grids utilizing a 2-refinement approach where uniformly refined hexes are subdivided into eight child elements. The refinement algorithm consists of identifying marked nodes that are used as the basis for a set of four simple refinement templates. The target application for 2-refinement is a parallel grid-based all-hex meshing tool for high performance computing in a distributed environment. The result is a parallel consistent locally refined mesh requiring minimal communication and where minimum mesh quality is greater than scaled Jacobian 0.3more » prior to smoothing.« less

Refinement Of Hexahedral Cells In Euler Flow Computations

NASA Technical Reports Server (NTRS)

Melton, John E.; Cappuccio, Gelsomina; Thomas, Scott D.

1996-01-01

Topologically Independent Grid, Euler Refinement (TIGER) computer program solves Euler equations of three-dimensional, unsteady flow of inviscid, compressible fluid by numerical integration on unstructured hexahedral coordinate grid refined where necessary to resolve shocks and other details. Hexahedral cells subdivided, each into eight smaller cells, as needed to refine computational grid in regions of high flow gradients. Grid Interactive Refinement and Flow-Field Examination (GIRAFFE) computer program written in conjunction with TIGER program to display computed flow-field data and to assist researcher in verifying specified boundary conditions and refining grid.

Optimization of Refining Craft for Vegetable Insulating Oil

NASA Astrophysics Data System (ADS)

Zhou, Zhu-Jun; Hu, Ting; Cheng, Lin; Tian, Kai; Wang, Xuan; Yang, Jun; Kong, Hai-Yang; Fang, Fu-Xin; Qian, Hang; Fu, Guang-Pan

2016-05-01

Vegetable insulating oil because of its environmental friendliness are considered as ideal material instead of mineral oil used for the insulation and the cooling of the transformer. The main steps of traditional refining process included alkali refining, bleaching and distillation. This kind of refining process used in small doses of insulating oil refining can get satisfactory effect, but can't be applied to the large capacity reaction kettle. This paper using rapeseed oil as crude oil, and the refining process has been optimized for large capacity reaction kettle. The optimized refining process increases the acid degumming process. The alkali compound adds the sodium silicate composition in the alkali refining process, and the ratio of each component is optimized. Add the amount of activated clay and activated carbon according to 10:1 proportion in the de-colorization process, which can effectively reduce the oil acid value and dielectric loss. Using vacuum pumping gas instead of distillation process can further reduce the acid value. Compared some part of the performance parameters of refined oil products with mineral insulating oil, the dielectric loss of vegetable insulating oil is still high and some measures are needed to take to further optimize in the future.

Orthogonal polynomials for refinable linear functionals

NASA Astrophysics Data System (ADS)

Laurie, Dirk; de Villiers, Johan

2006-12-01

A refinable linear functional is one that can be expressed as a convex combination and defined by a finite number of mask coefficients of certain stretched and shifted replicas of itself. The notion generalizes an integral weighted by a refinable function. The key to calculating a Gaussian quadrature formula for such a functional is to find the three-term recursion coefficients for the polynomials orthogonal with respect to that functional. We show how to obtain the recursion coefficients by using only the mask coefficients, and without the aid of modified moments. Our result implies the existence of the corresponding refinable functional whenever the mask coefficients are nonnegative, even when the same mask does not define a refinable function. The algorithm requires O(n^2) rational operations and, thus, can in principle deliver exact results. Numerical evidence suggests that it is also effective in floating-point arithmetic.

On macromolecular refinement at subatomic resolution withinteratomic scatterers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Afonine, Pavel V.; Grosse-Kunstleve, Ralf W.; Adams, Paul D.

2007-11-09

A study of the accurate electron density distribution in molecular crystals at subatomic resolution, better than {approx} 1.0 {angstrom}, requires more detailed models than those based on independent spherical atoms. A tool conventionally used in small-molecule crystallography is the multipolar model. Even at upper resolution limits of 0.8-1.0 {angstrom}, the number of experimental data is insufficient for the full multipolar model refinement. As an alternative, a simpler model composed of conventional independent spherical atoms augmented by additional scatterers to model bonding effects has been proposed. Refinement of these mixed models for several benchmark datasets gave results comparable in quality withmore » results of multipolar refinement and superior of those for conventional models. Applications to several datasets of both small- and macro-molecules are shown. These refinements were performed using the general-purpose macromolecular refinement module phenix.refine of the PHENIX package.« less

Gary Refining Company emerges from Chapter 11 bankruptcy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1986-09-01

On July 24, 1986 Gary Refining Company, Inc. announced that the Reorganization Plan for Gary Refining Company, Inc., Gary Refining Company, and Mesa Refining, Inc. has been approved by the United States bankruptcy Court (District of Colorado). The companies filed for protection from creditors on March 4, 1985 under Chapter 11 of the United States Bankruptcy Code. Payments to creditors are expected to begin upon start-up of the Gary Refining Company (GRC) refinery in Fruita, Colorado after delivery of shale oil from Union Oil's Parachute Creek plant. In the interim, GRC will continue to explore options for possible startup (onmore » a full scale or partial basis) prior to that time.« less

Steel refining possibilities in LF

NASA Astrophysics Data System (ADS)

Dumitru, M. G.; Ioana, A.; Constantin, N.; Ciobanu, F.; Pollifroni, M.

2018-01-01

This article presents the main possibilities for steel refining in Ladle Furnace (LF). These, are presented: steelmaking stages, steel refining through argon bottom stirring, online control of the bottom stirring, bottom stirring diagram during LF treatment of a heat, porous plug influence over the argon stirring, bottom stirring porous plug, analysis of porous plugs disposal on ladle bottom surface, bottom stirring simulation with ANSYS, bottom stirring simulation with Autodesk CFD.

Cortical Feedback Regulates Feedforward Retinogeniculate Refinement

PubMed Central

Thompson, Andrew D; Picard, Nathalie; Min, Lia; Fagiolini, Michela; Chen, Chinfei

2016-01-01

SUMMARY According to the prevailing view of neural development, sensory pathways develop sequentially in a feedforward manner, whereby each local microcircuit refines and stabilizes before directing the wiring of its downstream target. In the visual system, retinal circuits are thought to mature first and direct refinement in the thalamus, after which cortical circuits refine with experience-dependent plasticity. In contrast, we now show that feedback from cortex to thalamus critically regulates refinement of the retinogeniculate projection during a discrete window in development, beginning at postnatal day 20 in mice. Disrupting cortical activity during this window, pharmacologically or chemogenetically, increases the number of retinal ganglion cells innervating each thalamic relay neuron. These results suggest that primary sensory structures develop through the concurrent and interdependent remodeling of subcortical and cortical circuits in response to sensory experience, rather than through a simple feedforward process. Our findings also highlight an unexpected function for the corticothalamic projection. PMID:27545712

40 CFR 80.1344 - What provisions are available to a non-small refiner that acquires one or more of a small refiner...

Code of Federal Regulations, 2013 CFR

2013-07-01

... FUELS AND FUEL ADDITIVES Gasoline Benzene Small Refiner Provisions § 80.1344 What provisions are... a small refiner approved under § 80.1340, the small refiner provisions of the gasoline benzene...

40 CFR 80.1344 - What provisions are available to a non-small refiner that acquires one or more of a small refiner...

Code of Federal Regulations, 2014 CFR

2014-07-01

... FUELS AND FUEL ADDITIVES Gasoline Benzene Small Refiner Provisions § 80.1344 What provisions are... a small refiner approved under § 80.1340, the small refiner provisions of the gasoline benzene...

40 CFR 80.1344 - What provisions are available to a non-small refiner that acquires one or more of a small refiner...

Code of Federal Regulations, 2011 CFR

2011-07-01

... FUELS AND FUEL ADDITIVES Gasoline Benzene Small Refiner Provisions § 80.1344 What provisions are... a small refiner approved under § 80.1340, the small refiner provisions of the gasoline benzene...

CERA; Refiners can cope with CAA requirements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1992-02-17

This paper reports on a study conducted for the Department of Energy which predicts initial reformulated gasoline requirements in 1995 won't pose significant technical problems for U.S. refiners. But nearly all refiners will have to make added investments. Cambridge Energy Research Associates (CERA) prepared the study for DOE on critical issues affecting refiners and U.S. product supplies in the 1990s, particularly the effects of the 1990 Clean Air Act (CAA) amendments.

Bauxite Mining and Alumina Refining

PubMed Central

Frisch, Neale; Olney, David

2014-01-01

Objective: To describe bauxite mining and alumina refining processes and to outline the relevant physical, chemical, biological, ergonomic, and psychosocial health risks. Methods: Review article. Results: The most important risks relate to noise, ergonomics, trauma, and caustic soda splashes of the skin/eyes. Other risks of note relate to fatigue, heat, and solar ultraviolet and for some operations tropical diseases, venomous/dangerous animals, and remote locations. Exposures to bauxite dust, alumina dust, and caustic mist in contemporary best-practice bauxite mining and alumina refining operations have not been demonstrated to be associated with clinically significant decrements in lung function. Exposures to bauxite dust and alumina dust at such operations are also not associated with the incidence of cancer. Conclusions: A range of occupational health risks in bauxite mining and alumina refining require the maintenance of effective control measures. PMID:24806720

Firing of pulverized solvent refined coal

DOEpatents

Lennon, Dennis R.; Snedden, Richard B.; Foster, Edward P.; Bellas, George T.

1990-05-15

A burner for the firing of pulverized solvent refined coal is constructed and operated such that the solvent refined coal can be fired successfully without any performance limitations and without the coking of the solvent refined coal on the burner components. The burner is provided with a tangential inlet of primary air and pulverized fuel, a vaned diffusion swirler for the mixture of primary air and fuel, a center water-cooled conical diffuser shielding the incoming fuel from the heat radiation from the flame and deflecting the primary air and fuel steam into the secondary air, and a watercooled annulus located between the primary air and secondary air flows.

Apparent consumption of refined sugar in Australia (1938-2011).

PubMed

McNeill, T J; Shrapnel, W S

2015-11-01

In Australia, the Australian Bureau of Statistics discontinued collection of apparent consumption data for refined sugars in 1998/1999. The objectives of this study were to update this data series to determine whether it is a reliable data series that reflects consumption of refined sugars, defined as sucrose in the forms of refined or raw sugar or liquified sugars manufactured for human consumption. The study used the same methodology as that used by the Australian Bureau of Statistics to derive a refined sugars consumption estimate each year until the collection was discontinued. Sales by Australian refiners, refined sugars imports and the net balance of refined sugars contained in foods imported into, and exported from, Australia were used to calculate total refined sugars use for each year up to 2011. Per capita consumption figures were then derived. During the period 1938-2011, apparent consumption of refined sugars in Australia fell 13.1% from 48.3 to 42.0 kg per head (R(2)=0.74). Between the 1950s and the 1970s, apparent consumption was relatively stable at about 50 kg per person. In the shorter period 1970-2011, refined sugars consumption fell 16.5% from 50.3 to 42.0 kg per head, though greater variability was evident (R(2)=0.53). An alternative data set showed greater volatility with no trend up or down. The limited variability of the extended apparent consumption series and its consistency with recent national dietary survey data and sugar-sweetened beverage sales data indicate that it is a reliable data set that reflects declining intake of refined sugars in Australia.

Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package

DOE Office of Scientific and Technical Information (OSTI.GOV)

Borbulevych, Oleg Y.; Plumley, Joshua A.; Martin, Roger I.

2014-05-01

Semiempirical quantum-chemical X-ray macromolecular refinement using the program DivCon integrated with PHENIX is described. Macromolecular crystallographic refinement relies on sometimes dubious stereochemical restraints and rudimentary energy functionals to ensure the correct geometry of the model of the macromolecule and any covalently bound ligand(s). The ligand stereochemical restraint file (CIF) requires a priori understanding of the ligand geometry within the active site, and creation of the CIF is often an error-prone process owing to the great variety of potential ligand chemistry and structure. Stereochemical restraints have been replaced with more robust functionals through the integration of the linear-scaling, semiempirical quantum-mechanics (SE-QM)more » program DivCon with the PHENIX X-ray refinement engine. The PHENIX/DivCon package has been thoroughly validated on a population of 50 protein–ligand Protein Data Bank (PDB) structures with a range of resolutions and chemistry. The PDB structures used for the validation were originally refined utilizing various refinement packages and were published within the past five years. PHENIX/DivCon does not utilize CIF(s), link restraints and other parameters for refinement and hence it does not make as many a priori assumptions about the model. Across the entire population, the method results in reasonable ligand geometries and low ligand strains, even when the original refinement exhibited difficulties, indicating that PHENIX/DivCon is applicable to both single-structure and high-throughput crystallography.« less

Analysis of traffic congestion induced by the work zone

NASA Astrophysics Data System (ADS)

Fei, L.; Zhu, H. B.; Han, X. L.

2016-05-01

Based on the cellular automata model, a meticulous two-lane cellular automata model is proposed, in which the driving behavior difference and the difference of vehicles' accelerations between the moving state and the starting state are taken into account. Furthermore the vehicles' motion is refined by using the small cell of one meter long. Then accompanied by coming up with a traffic management measure, a two-lane highway traffic model containing a work zone is presented, in which the road is divided into normal area, merging area and work zone. The vehicles in different areas move forward according to different lane changing rules and position updating rules. After simulation it is found that when the density is small the cluster length in front of the work zone increases with the decrease of the merging probability. Then the suitable merging length and the appropriate speed limit value are recommended. The simulation result in the form of the speed-flow diagram is in good agreement with the empirical data. It indicates that the presented model is efficient and can partially reflect the real traffic. The results may be meaningful for traffic optimization and road construction management.

Enhanced Representation of Turbulent Flow Phenomena in Large-Eddy Simulations of the Atmospheric Boundary Layer using Grid Refinement with Pseudo-Spectral Numerics

NASA Astrophysics Data System (ADS)

Torkelson, G. Q.; Stoll, R., II

2017-12-01

Large Eddy Simulation (LES) is a tool commonly used to study the turbulent transport of momentum, heat, and moisture in the Atmospheric Boundary Layer (ABL). For a wide range of ABL LES applications, representing the full range of turbulent length scales in the flow field is a challenge. This is an acute problem in regions of the ABL with strong velocity or scalar gradients, which are typically poorly resolved by standard computational grids (e.g., near the ground surface, in the entrainment zone). Most efforts to address this problem have focused on advanced sub-grid scale (SGS) turbulence model development, or on the use of massive computational resources. While some work exists using embedded meshes, very little has been done on the use of grid refinement. Here, we explore the benefits of grid refinement in a pseudo-spectral LES numerical code. The code utilizes both uniform refinement of the grid in horizontal directions, and stretching of the grid in the vertical direction. Combining the two techniques allows us to refine areas of the flow while maintaining an acceptable grid aspect ratio. In tests that used only refinement of the vertical grid spacing, large grid aspect ratios were found to cause a significant unphysical spike in the stream-wise velocity variance near the ground surface. This was especially problematic in simulations of stably-stratified ABL flows. The use of advanced SGS models was not sufficient to alleviate this issue. The new refinement technique is evaluated using a series of idealized simulation test cases of neutrally and stably stratified ABLs. These test cases illustrate the ability of grid refinement to increase computational efficiency without loss in the representation of statistical features of the flow field.

Unstructured Euler flow solutions using hexahedral cell refinement

NASA Technical Reports Server (NTRS)

Melton, John E.; Cappuccio, Gelsomina; Thomas, Scott D.

1991-01-01

An attempt is made to extend grid refinement into three dimensions by using unstructured hexahedral grids. The flow solver is developed using the TIGER (topologically Independent Grid, Euler Refinement) as the starting point. The program uses an unstructured hexahedral mesh and a modified version of the Jameson four-stage, finite-volume Runge-Kutta algorithm for integration of the Euler equations. The unstructured mesh allows for local refinement appropriate for each freestream condition, thereby concentrating mesh cells in the regions of greatest interest. This increases the computational efficiency because the refinement is not required to extend throughout the entire flow field.

Reformulated Gasoline Market Affected Refiners Differently, 1995

EIA Publications

1996-01-01

This article focuses on the costs of producing reformulated gasoline (RFG) as experienced by different types of refiners and on how these refiners fared this past summer, given the prices for RFG at the refinery gate.

Characterization and Evaluation of Re-Refined Engine Lubricating Oil.

DTIC Science & Technology

1981-12-01

performance of re-refineod and virgin oils and to Investigate the potential esubstantlal esquivalknced of re-refined and virgin lubricating oils. The...d 20. Abstract (continued) engine deposits derived from virgin and re-refined engine oils. (2) The effects of virgin and re-refined oils on engine...blowby composition and engine deposit generation were determined using a spark ignition engine and, 3) Virgin and re-refined basestock production

Unidirectional self-assembly of soft templated mesoporous carbons by zone annealing

NASA Astrophysics Data System (ADS)

Xue, Jiachen; Singh, Gurpreet; Qiang, Zhe; Karim, Alamgir; Vogt, Bryan D.

2013-08-01

Surfactant or block copolymer-templated mesoporous films have been extensively explored, but achieving mesostructure coherence and unidirectional orientation over macroscopic dimensions has remained quite challenging for these self-assembled systems. Here, we extend the concepts associated with zone refinement of crystalline materials to soft templated mesoporous carbon films based on the cooperative assembly of commercial non-ionic surfactants (block copolymers) and phenolic resin oligomers (resol) to provide macroscopic alignment of both cubic (FDU-16) and hexagonal (FDU-15) mesostructures. The average orientation of these mesophases is determined from rotation grazing incidence small angle X-ray scattering (GISAXS) measurements. For FDU-15 templated by Pluronic P123, the orientation factor for the zone-annealed film is 0.98 based on the average of the second Legendre polynomial, but this orientation deteriorates significantly during carbonization. Notably, a thermal stabilization step following zone annealing preserves the orientation of the mesostructure during carbonization. The orientation factor for an isotropic cubic structure (FDU-16 templated by Pluronic F127) is only 0.48 (based on the 111 reflection with incident angle 0.15°) for the same zone annealing protocol, but this illustrates the versatility of zone annealing to different mesostructures. Unexpectedly, zone annealing of FDU-15 templated by Pluronic F127 leads to stabilization of the mesostructure through carbonization, whereas this structure collapses fully during carbonization even after extended oven annealing; despite no clear macroscopic orientation of the cylindrical mesostructure from zone annealing. Thermal zone annealing provides a simple methodology to produce highly ordered and macroscopically oriented stable mesoporous carbon films, but the efficacy is strongly tied to the mobility of the template during the zone annealing.Surfactant or block copolymer-templated mesoporous films have

Mercury and methylmercury dynamics in the hyporheic zone of an Oregon stream

USGS Publications Warehouse

Hinkle, Stephen R.; Bencala, Kenneth E.; Wentz, Dennis A.; Krabbenhoft, David P.

2014-01-01

The role of the hyporheic zone in mercury (Hg) cycling has received limited attention despite the biogeochemically active nature of this zone and, thus, its potential to influence Hg behavior in streams. An assessment of Hg geochemistry in the hyporheic zone of a coarse-grained island in the Coast Fork Willamette River in Oregon, USA, illustrates the spatially dynamic nature of this region of the stream channel for Hg mobilization and attenuation. Hyporheic flow through the island was evident from the water-table geometry and supported by hyporheic-zone chemistry distinct from that of the bounding groundwater system. Redox-indicator species changed abruptly along a transect through the hyporheic zone, indicating a biogeochemically reactive stream/hyporheic-zone continuum. Dissolved organic carbon (DOC), total Hg, and methylmercury (MeHg) concentrations increased in the upgradient portion of the hyporheic zone and decreased in the downgradient region. Total Hg (collected in 2002 and 2003) and MeHg (collected in 2003) were correlated with DOC in hyporheic-zone samples: r2=0.63 (total Hg-DOC, 2002), 0.73 (total Hg-DOC, 2003), and 0.94 (MeHg-DOC, 2003). Weaker Hg/DOC association in late summer 2002 than in early summer 2003 may reflect seasonal differences in DOC reactivity. Observed correlations between DOC and both total Hg and MeHg reflect the importance of DOC for Hg mobilization, transport, and fate in this hyporheic zone. Correlations with DOC provide a framework for conceptualizing and quantifying Hg and MeHg dynamics in this region of the stream channel, and provide a refined conceptual model of the role hyporheic zones may play in aquatic ecosystems.

REFMAC5 for the refinement of macromolecular crystal structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murshudov, Garib N., E-mail: garib@ysbl.york.ac.uk; Skubák, Pavol; Lebedev, Andrey A.

The general principles behind the macromolecular crystal structure refinement program REFMAC5 are described. This paper describes various components of the macromolecular crystallographic refinement program REFMAC5, which is distributed as part of the CCP4 suite. REFMAC5 utilizes different likelihood functions depending on the diffraction data employed (amplitudes or intensities), the presence of twinning and the availability of SAD/SIRAS experimental diffraction data. To ensure chemical and structural integrity of the refined model, REFMAC5 offers several classes of restraints and choices of model parameterization. Reliable models at resolutions at least as low as 4 Å can be achieved thanks to low-resolution refinement toolsmore » such as secondary-structure restraints, restraints to known homologous structures, automatic global and local NCS restraints, ‘jelly-body’ restraints and the use of novel long-range restraints on atomic displacement parameters (ADPs) based on the Kullback–Leibler divergence. REFMAC5 additionally offers TLS parameterization and, when high-resolution data are available, fast refinement of anisotropic ADPs. Refinement in the presence of twinning is performed in a fully automated fashion. REFMAC5 is a flexible and highly optimized refinement package that is ideally suited for refinement across the entire resolution spectrum encountered in macromolecular crystallography.« less

On macromolecular refinement at subatomic resolution with interatomic scatterers.

PubMed

Afonine, Pavel V; Grosse-Kunstleve, Ralf W; Adams, Paul D; Lunin, Vladimir Y; Urzhumtsev, Alexandre

2007-11-01

A study of the accurate electron-density distribution in molecular crystals at subatomic resolution (better than approximately 1.0 A) requires more detailed models than those based on independent spherical atoms. A tool that is conventionally used in small-molecule crystallography is the multipolar model. Even at upper resolution limits of 0.8-1.0 A, the number of experimental data is insufficient for full multipolar model refinement. As an alternative, a simpler model composed of conventional independent spherical atoms augmented by additional scatterers to model bonding effects has been proposed. Refinement of these mixed models for several benchmark data sets gave results that were comparable in quality with the results of multipolar refinement and superior to those for conventional models. Applications to several data sets of both small molecules and macromolecules are shown. These refinements were performed using the general-purpose macromolecular refinement module phenix.refine of the PHENIX package.

Pharmacophore Refinement Guides the Design of Nanomolar-Range Botulinum Neurotoxin Serotype A Light Chain Inhibitors

PubMed Central

2010-01-01

Botulinum neurotoxins (BoNTs) are the deadliest of microbial toxins. The enzymes’ zinc(II) metalloprotease, referred to as the light chain (LC) component, inhibits acetylcholine release into neuromuscular junctions, resulting in the disease botulism. Currently, no therapies counter BoNT poisoning postneuronal intoxication; however, it is hypothesized that small molecules may be used to inhibit BoNT LC activity in the neuronal cytosol. Herein, we describe the pharmacophore-based design and chemical synthesis of potent [non-zinc(II) chelating] small molecule (nonpeptidic) inhibitors (SMNPIs) of the BoNT serotype A LC (the most toxic of the BoNT serotype LCs). Specifically, the three-dimensional superimpositions of 2-[4-(4-amidinephenoxy)phenyl]indole-6-amidine-based SMNPI regioisomers [Ki = 0.600 μM (±0.100 μM)], with a novel lead bis-[3-amide-5-(imidazolino)phenyl]terephthalamide (BAIPT)-based SMNPI [Ki = 8.52 μM (±0.53 μM)], resulted in a refined four-zone pharmacophore. The refined model guided the design of BAIPT-based SMNPIs possessing Ki values = 0.572 (±0.041 μM) and 0.900 μM (±0.078 μM). PMID:21116458

Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package.

PubMed

Borbulevych, Oleg Y; Plumley, Joshua A; Martin, Roger I; Merz, Kenneth M; Westerhoff, Lance M

2014-05-01

Macromolecular crystallographic refinement relies on sometimes dubious stereochemical restraints and rudimentary energy functionals to ensure the correct geometry of the model of the macromolecule and any covalently bound ligand(s). The ligand stereochemical restraint file (CIF) requires a priori understanding of the ligand geometry within the active site, and creation of the CIF is often an error-prone process owing to the great variety of potential ligand chemistry and structure. Stereochemical restraints have been replaced with more robust functionals through the integration of the linear-scaling, semiempirical quantum-mechanics (SE-QM) program DivCon with the PHENIX X-ray refinement engine. The PHENIX/DivCon package has been thoroughly validated on a population of 50 protein-ligand Protein Data Bank (PDB) structures with a range of resolutions and chemistry. The PDB structures used for the validation were originally refined utilizing various refinement packages and were published within the past five years. PHENIX/DivCon does not utilize CIF(s), link restraints and other parameters for refinement and hence it does not make as many a priori assumptions about the model. Across the entire population, the method results in reasonable ligand geometries and low ligand strains, even when the original refinement exhibited difficulties, indicating that PHENIX/DivCon is applicable to both single-structure and high-throughput crystallography.

Finite element mesh refinement criteria for stress analysis

NASA Technical Reports Server (NTRS)

Kittur, Madan G.; Huston, Ronald L.

1990-01-01

This paper discusses procedures for finite-element mesh selection and refinement. The objective is to improve accuracy. The procedures are based on (1) the minimization of the stiffness matrix race (optimizing node location); (2) the use of h-version refinement (rezoning, element size reduction, and increasing the number of elements); and (3) the use of p-version refinement (increasing the order of polynomial approximation of the elements). A step-by-step procedure of mesh selection, improvement, and refinement is presented. The criteria for 'goodness' of a mesh are based on strain energy, displacement, and stress values at selected critical points of a structure. An analysis of an aircraft lug problem is presented as an example.

Multidataset Refinement Resonant Diffraction, and Magnetic Structures

PubMed Central

Attfield, J. Paul

2004-01-01

The scope of Rietveld and other powder diffraction refinements continues to expand, driven by improvements in instrumentation, methodology and software. This will be illustrated by examples from our research in recent years. Multidataset refinement is now commonplace; the datasets may be from different detectors, e.g., in a time-of-flight experiment, or from separate experiments, such as at several x-ray energies giving resonant information. The complementary use of x rays and neutrons is exemplified by a recent combined refinement of the monoclinic superstructure of magnetite, Fe3O4, below the 122 K Verwey transition, which reveals evidence for Fe2+/Fe3+ charge ordering. Powder neutron diffraction data continue to be used for the solution and Rietveld refinement of magnetic structures. Time-of-flight instruments on cold neutron sources can produce data that have a high intensity and good resolution at high d-spacings. Such profiles have been used to study incommensurate magnetic structures such as FeAsO4 and β–CrPO4. A multiphase, multidataset refinement of the phase-separated perovskite (Pr0.35Y0.07Th0.04Ca0.04Sr0.5)MnO3 has been used to fit three components with different crystal and magnetic structures at low temperatures. PMID:27366599

The Mechanism of Ultrasonic Vibration on Grain Refining and Degassing in GTA Spot Welding of Copper Joints.

PubMed

Al-Ezzi, Salih; Quan, Gaofeng; Elrayah, Adil

2018-05-07

This paper examines the effect of ultrasonic vibration (USV) on grain size and interrupted porosity in Gas Tungsten Arc (GTA) spot-welded copper. Grain size was refined by perpendicularly attaching a transducer to the welded sheet and applying USV to the weld pool for a short time (0, 2, 4, and 6 s) in addition improvements to the degassing process. Results illustrate a significant reduction of grain size (57%). Notably, USV provided interaction between reformations (fragmentation) and provided nucleation points (detaching particles from the fusion line) for grains in the nugget zone and the elimination of porosity in the nugget zone. The GTA spot welding process, in conjunction with USV, demonstrated an improvement in the corrosion potential for a copper spot-welded joint in comparison to the joint welded without assistance of USV. Finally, welding of copper by GTA spot welding in conjunction with ultrasound for 2 s presented significant mechanical properties.

The Mechanism of Ultrasonic Vibration on Grain Refining and Degassing in GTA Spot Welding of Copper Joints

PubMed Central

Quan, Gaofeng

2018-01-01

This paper examines the effect of ultrasonic vibration (USV) on grain size and interrupted porosity in Gas Tungsten Arc (GTA) spot-welded copper. Grain size was refined by perpendicularly attaching a transducer to the welded sheet and applying USV to the weld pool for a short time (0, 2, 4, and 6 s) in addition improvements to the degassing process. Results illustrate a significant reduction of grain size (57%). Notably, USV provided interaction between reformations (fragmentation) and provided nucleation points (detaching particles from the fusion line) for grains in the nugget zone and the elimination of porosity in the nugget zone. The GTA spot welding process, in conjunction with USV, demonstrated an improvement in the corrosion potential for a copper spot-welded joint in comparison to the joint welded without assistance of USV. Finally, welding of copper by GTA spot welding in conjunction with ultrasound for 2 s presented significant mechanical properties. PMID:29735894

Structure refinement of membrane proteins via molecular dynamics simulations.

PubMed

Dutagaci, Bercem; Heo, Lim; Feig, Michael

2018-07-01

A refinement protocol based on physics-based techniques established for water soluble proteins is tested for membrane protein structures. Initial structures were generated by homology modeling and sampled via molecular dynamics simulations in explicit lipid bilayer and aqueous solvent systems. Snapshots from the simulations were selected based on scoring with either knowledge-based or implicit membrane-based scoring functions and averaged to obtain refined models. The protocol resulted in consistent and significant refinement of the membrane protein structures similar to the performance of refinement methods for soluble proteins. Refinement success was similar between sampling in the presence of lipid bilayers and aqueous solvent but the presence of lipid bilayers may benefit the improvement of lipid-facing residues. Scoring with knowledge-based functions (DFIRE and RWplus) was found to be as good as scoring using implicit membrane-based scoring functions suggesting that differences in internal packing is more important than orientations relative to the membrane during the refinement of membrane protein homology models. © 2018 Wiley Periodicals, Inc.

On macromolecular refinement at subatomic resolution with interatomic scatterers

PubMed Central

Afonine, Pavel V.; Grosse-Kunstleve, Ralf W.; Adams, Paul D.; Lunin, Vladimir Y.; Urzhumtsev, Alexandre

2007-01-01

A study of the accurate electron-density distribution in molecular crystals at subatomic resolution (better than ∼1.0 Å) requires more detailed models than those based on independent spherical atoms. A tool that is conventionally used in small-molecule crystallography is the multipolar model. Even at upper resolution limits of 0.8–1.0 Å, the number of experimental data is insufficient for full multipolar model refinement. As an alternative, a simpler model composed of conventional independent spherical atoms augmented by additional scatterers to model bonding effects has been proposed. Refinement of these mixed models for several benchmark data sets gave results that were comparable in quality with the results of multipolar refinement and superior to those for conventional models. Applications to several data sets of both small molecules and macromolecules are shown. These refinements were performed using the general-purpose macromolecular refinement module phenix.refine of the PHENIX package. PMID:18007035

Meshfree truncated hierarchical refinement for isogeometric analysis

NASA Astrophysics Data System (ADS)

Atri, H. R.; Shojaee, S.

2018-05-01

In this paper truncated hierarchical B-spline (THB-spline) is coupled with reproducing kernel particle method (RKPM) to blend advantages of the isogeometric analysis and meshfree methods. Since under certain conditions, the isogeometric B-spline and NURBS basis functions are exactly represented by reproducing kernel meshfree shape functions, recursive process of producing isogeometric bases can be omitted. More importantly, a seamless link between meshfree methods and isogeometric analysis can be easily defined which provide an authentic meshfree approach to refine the model locally in isogeometric analysis. This procedure can be accomplished using truncated hierarchical B-splines to construct new bases and adaptively refine them. It is also shown that the THB-RKPM method can provide efficient approximation schemes for numerical simulations and represent a promising performance in adaptive refinement of partial differential equations via isogeometric analysis. The proposed approach for adaptive locally refinement is presented in detail and its effectiveness is investigated through well-known benchmark examples.

Adaptive h -refinement for reduced-order models: ADAPTIVE h -refinement for reduced-order models

DOE PAGES

Carlberg, Kevin T.

2014-11-05

Our work presents a method to adaptively refine reduced-order models a posteriori without requiring additional full-order-model solves. The technique is analogous to mesh-adaptive h-refinement: it enriches the reduced-basis space online by ‘splitting’ a given basis vector into several vectors with disjoint support. The splitting scheme is defined by a tree structure constructed offline via recursive k-means clustering of the state variables using snapshot data. This method identifies the vectors to split online using a dual-weighted-residual approach that aims to reduce error in an output quantity of interest. The resulting method generates a hierarchy of subspaces online without requiring large-scale operationsmore » or full-order-model solves. Furthermore, it enables the reduced-order model to satisfy any prescribed error tolerance regardless of its original fidelity, as a completely refined reduced-order model is mathematically equivalent to the original full-order model. Experiments on a parameterized inviscid Burgers equation highlight the ability of the method to capture phenomena (e.g., moving shocks) not contained in the span of the original reduced basis.« less

Evaluation of the Liberian Petroleum Refining Company operations: crude oil refining vs product importation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samuels, G.; Barron, W.F.; Barnes, R.W.

1985-02-01

This report is one of a series of project papers providing background information for an assessment of energy options for Liberia, West Africa. It presents information on a controversial recommendation of the energy assessment - that the only refinery in the country be closed and refined products be imported for a savings of approximately $20 million per year. The report reviews refinery operations, discusses a number of related issues, and presents a detailed analysis of the economics of the refinery operations as of 1982. This analysis corroborates the initial estimate of savings to be gained from importing all refined products.more » 1 reference, 24 tables.« less

Principles of minimum cost refining for optimum linerboard strength

Treesearch

Thomas J. Urbanik; Jong Myoung Won

2006-01-01

The mechanical properties of paper at a single basis weight and a single targeted refining freeness level have traditionally been used to compare papers. Understanding the economics of corrugated fiberboard requires a more global characterization of the variation of mechanical properties and refining energy consumption with freeness. The cost of refining energy to...

Real-space refinement in PHENIX for cryo-EM and crystallography

DOE PAGES

Afonine, Pavel V.; Poon, Billy K.; Read, Randy J.; ...

2018-06-01

This work describes the implementation of real-space refinement in the phenix.real_space_refine program from the PHENIX suite. The use of a simplified refinement target function enables very fast calculation, which in turn makes it possible to identify optimal data-restraint weights as part of routine refinements with little runtime cost. Refinement of atomic models against low-resolution data benefits from the inclusion of as much additional information as is available. In addition to standard restraints on covalent geometry, phenix.real_space_refine makes use of extra information such as secondary-structure and rotamer-specific restraints, as well as restraints or constraints on internal molecular symmetry. The re-refinement ofmore » 385 cryo-EM-derived models available in the Protein Data Bank at resolutions of 6 Å or better shows significant improvement of the models and of the fit of these models to the target maps.« less

Real-space refinement in PHENIX for cryo-EM and crystallography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Afonine, Pavel V.; Poon, Billy K.; Read, Randy J.

This work describes the implementation of real-space refinement in the phenix.real_space_refine program from the PHENIX suite. The use of a simplified refinement target function enables very fast calculation, which in turn makes it possible to identify optimal data-restraint weights as part of routine refinements with little runtime cost. Refinement of atomic models against low-resolution data benefits from the inclusion of as much additional information as is available. In addition to standard restraints on covalent geometry, phenix.real_space_refine makes use of extra information such as secondary-structure and rotamer-specific restraints, as well as restraints or constraints on internal molecular symmetry. The re-refinement ofmore » 385 cryo-EM-derived models available in the Protein Data Bank at resolutions of 6 Å or better shows significant improvement of the models and of the fit of these models to the target maps.« less

Improved parallel image reconstruction using feature refinement.

PubMed

Cheng, Jing; Jia, Sen; Ying, Leslie; Liu, Yuanyuan; Wang, Shanshan; Zhu, Yanjie; Li, Ye; Zou, Chao; Liu, Xin; Liang, Dong

2018-07-01

The aim of this study was to develop a novel feature refinement MR reconstruction method from highly undersampled multichannel acquisitions for improving the image quality and preserve more detail information. The feature refinement technique, which uses a feature descriptor to pick up useful features from residual image discarded by sparsity constrains, is applied to preserve the details of the image in compressed sensing and parallel imaging in MRI (CS-pMRI). The texture descriptor and structure descriptor recognizing different types of features are required for forming the feature descriptor. Feasibility of the feature refinement was validated using three different multicoil reconstruction methods on in vivo data. Experimental results show that reconstruction methods with feature refinement improve the quality of reconstructed image and restore the image details more accurately than the original methods, which is also verified by the lower values of the root mean square error and high frequency error norm. A simple and effective way to preserve more useful detailed information in CS-pMRI is proposed. This technique can effectively improve the reconstruction quality and has superior performance in terms of detail preservation compared with the original version without feature refinement. Magn Reson Med 80:211-223, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

On macromolecular refinement at subatomic resolution with interatomic scatterers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Afonine, Pavel V., E-mail: pafonine@lbl.gov; Grosse-Kunstleve, Ralf W.; Adams, Paul D.

2007-11-01

Modelling deformation electron density using interatomic scatters is simpler than multipolar methods, produces comparable results at subatomic resolution and can easily be applied to macromolecules. A study of the accurate electron-density distribution in molecular crystals at subatomic resolution (better than ∼1.0 Å) requires more detailed models than those based on independent spherical atoms. A tool that is conventionally used in small-molecule crystallography is the multipolar model. Even at upper resolution limits of 0.8–1.0 Å, the number of experimental data is insufficient for full multipolar model refinement. As an alternative, a simpler model composed of conventional independent spherical atoms augmented bymore » additional scatterers to model bonding effects has been proposed. Refinement of these mixed models for several benchmark data sets gave results that were comparable in quality with the results of multipolar refinement and superior to those for conventional models. Applications to several data sets of both small molecules and macromolecules are shown. These refinements were performed using the general-purpose macromolecular refinement module phenix.refine of the PHENIX package.« less

Hirshfeld atom refinement.

PubMed

Capelli, Silvia C; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan

2014-09-01

Hirshfeld atom refinement (HAR) is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly-l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree-Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs) are freely refined without constraints or restraints - even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu's), all other structural parameters agree within less than 2 csu's. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules), the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å(2) as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements - an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å.

Using toxicokinetic-toxicodynamic modeling as an acute risk assessment refinement approach in vertebrate ecological risk assessment.

PubMed

Ducrot, Virginie; Ashauer, Roman; Bednarska, Agnieszka J; Hinarejos, Silvia; Thorbek, Pernille; Weyman, Gabriel

2016-01-01

Recent guidance identified toxicokinetic-toxicodynamic (TK-TD) modeling as a relevant approach for risk assessment refinement. Yet, its added value compared to other refinement options is not detailed, and how to conduct the modeling appropriately is not explained. This case study addresses these issues through 2 examples of individual-level risk assessment for 2 hypothetical plant protection products: 1) evaluating the risk for small granivorous birds and small omnivorous mammals of a single application, as a seed treatment in winter cereals, and 2) evaluating the risk for fish after a pulsed treatment in the edge-of-field zone. Using acute test data, we conducted the first tier risk assessment as defined in the European Food Safety Authority (EFSA) guidance. When first tier risk assessment highlighted a concern, refinement options were discussed. Cases where the use of models should be preferred over other existing refinement approaches were highlighted. We then practically conducted the risk assessment refinement by using 2 different models as examples. In example 1, a TK model accounting for toxicokinetics and relevant feeding patterns in the skylark and in the wood mouse was used to predict internal doses of the hypothetical active ingredient in individuals, based on relevant feeding patterns in an in-crop situation, and identify the residue levels leading to mortality. In example 2, a TK-TD model accounting for toxicokinetics, toxicodynamics, and relevant exposure patterns in the fathead minnow was used to predict the time-course of fish survival for relevant FOCUS SW exposure scenarios and identify which scenarios might lead to mortality. Models were calibrated using available standard data and implemented to simulate the time-course of internal dose of active ingredient or survival for different exposure scenarios. Simulation results were discussed and used to derive the risk assessment refinement endpoints used for decision. Finally, we compared the

Automated Assume-Guarantee Reasoning by Abstraction Refinement

NASA Technical Reports Server (NTRS)

Pasareanu, Corina S.; Giannakopoulous, Dimitra; Glannakopoulou, Dimitra

2008-01-01

Current automated approaches for compositional model checking in the assume-guarantee style are based on learning of assumptions as deterministic automata. We propose an alternative approach based on abstraction refinement. Our new method computes the assumptions for the assume-guarantee rules as conservative and not necessarily deterministic abstractions of some of the components, and refines those abstractions using counter-examples obtained from model checking them together with the other components. Our approach also exploits the alphabets of the interfaces between components and performs iterative refinement of those alphabets as well as of the abstractions. We show experimentally that our preliminary implementation of the proposed alternative achieves similar or better performance than a previous learning-based implementation.

Total antioxidant content of alternatives to refined sugar.

PubMed

Phillips, Katherine M; Carlsen, Monica H; Blomhoff, Rune

2009-01-01

Oxidative damage is implicated in the etiology of cancer, cardiovascular disease, and other degenerative disorders. Recent nutritional research has focused on the antioxidant potential of foods, while current dietary recommendations are to increase the intake of antioxidant-rich foods rather than supplement specific nutrients. Many alternatives to refined sugar are available, including raw cane sugar, plant saps/syrups (eg, maple syrup, agave nectar), molasses, honey, and fruit sugars (eg, date sugar). Unrefined sweeteners were hypothesized to contain higher levels of antioxidants, similar to the contrast between whole and refined grain products. To compare the total antioxidant content of natural sweeteners as alternatives to refined sugar. The ferric-reducing ability of plasma (FRAP) assay was used to estimate total antioxidant capacity. Major brands of 12 types of sweeteners as well as refined white sugar and corn syrup were sampled from retail outlets in the United States. Substantial differences in total antioxidant content of different sweeteners were found. Refined sugar, corn syrup, and agave nectar contained minimal antioxidant activity (<0.01 mmol FRAP/100 g); raw cane sugar had a higher FRAP (0.1 mmol/100 g). Dark and blackstrap molasses had the highest FRAP (4.6 to 4.9 mmol/100 g), while maple syrup, brown sugar, and honey showed intermediate antioxidant capacity (0.2 to 0.7 mmol FRAP/100 g). Based on an average intake of 130 g/day refined sugars and the antioxidant activity measured in typical diets, substituting alternative sweeteners could increase antioxidant intake an average of 2.6 mmol/day, similar to the amount found in a serving of berries or nuts. Many readily available alternatives to refined sugar offer the potential benefit of antioxidant activity.

The blind leading the blind: Mutual refinement of approximate theories

NASA Technical Reports Server (NTRS)

Kedar, Smadar T.; Bresina, John L.; Dent, C. Lisa

1991-01-01

The mutual refinement theory, a method for refining world models in a reactive system, is described. The method detects failures, explains their causes, and repairs the approximate models which cause the failures. The approach focuses on using one approximate model to refine another.

Empirical Analysis and Refinement of Expert System Knowledge Bases

DTIC Science & Technology

1988-08-31

refinement. Both a simulated case generation program, and a random rule basher were developed to enhance rule refinement experimentation. *Substantial...the second fiscal year 88 objective was fully met. Rule Refinement System Simulated Rule Basher Case Generator Stored Cases Expert System Knowledge...generated until the rule is satisfied. Cases may be randomly generated for a given rule or hypothesis. Rule Basher Given that one has a correct

Refinements to the Graves and Pitarka (2010) Broadband Ground Motion Simulation Method

USGS Publications Warehouse

Graves, Robert; Arben Pitarka,

2015-01-01

addition of a deep weak zone (details in following section) to the rupture characterization and allowing perturbations in the correlation of rise time and rupture speed with the specified slip distribution. Additionally, we have extended the parameterization of GP14.3 so that it is also applicable for simulating Eastern North America (ENA) earthquakes. This work has been guided by the comprehensive set of validation studies described in Goulet and Abrahamson (2014) and Dreger et al. (2014). The GP14.3 method shows improved performance relative to GP2010, and we direct the interested reader to Dreger et al. (2014) for a detailed assessment of the current methodology. In this paper, we concentrate on describing the modifications in more detail, and also discussing additional refinements that are currently being developed.

K-Means Subject Matter Expert Refined Topic Model Methodology

DTIC Science & Technology

2017-01-01

Refined Topic Model Methodology Topic Model Estimation via K-Means U.S. Army TRADOC Analysis Center-Monterey 700 Dyer Road...January 2017 K-means Subject Matter Expert Refined Topic Model Methodology Topic Model Estimation via K-Means Theodore T. Allen, Ph.D. Zhenhuan...Matter Expert Refined Topic Model Methodology Topic Model Estimation via K-means 5a. CONTRACT NUMBER W9124N-15-P-0022 5b. GRANT NUMBER 5c

Approach for delineation of contributing areas and zones of transport to selected public-supply wells using a regional ground-water flow model, Palm Beach County, Florida

USGS Publications Warehouse

Renken, R.A.; Patterson, R.D.; Orzol, L.L.; Dixon, Joann

2001-01-01

Rapid urban development and population growth in Palm Beach County, Florida, have been accompanied with the need for additional freshwater withdrawals from the surficial aquifer system. To maintain water quality, County officials protect capture areas and determine zones of transport of municipal supply wells. A multistep process was used to help automate the delineation of wellhead protection areas. A modular ground-water flow model (MODFLOW) Telescopic Mesh Refinement program (MODTMR) was used to construct an embedded flow model and combined with particle tracking to delineate zones of transport to supply wells; model output was coupled with a geographic information system. An embedded flow MODFLOW model was constructed using input and output file data from a preexisting three-dimensional, calibrated model of the surficial aquifer system. Three graphical user interfaces for use with the geographic information software, ArcView, were developed to enhance the telescopic mesh refinement process. These interfaces include AvMODTMR for use with MODTMR; AvHDRD to build MODFLOW river and drain input files from dynamically segmented linear (canals) data sets; and AvWELL Refiner, an interface designed to examine and convert well coverage spatial data layers to a MODFLOW Well package input file. MODPATH (the U.S. Geological Survey particle-tracking postprocessing program) and MODTOOLS (the set of U.S. Geological Survey computer programs to translate MODFLOW and MODPATH output to a geographic information system) were used to map zones of transport. A steady-state, five-layer model of the Boca Raton area was created using the telescopic mesh refinement process and calibrated to average conditions during January 1989 to June 1990. A sensitivity analysis of various model parameters indicates that the model is most sensitive to changes in recharge rates, hydraulic conductivity for layer 1, and leakance for layers 3 and 4 (Biscayne aquifer). Recharge (58 percent); river (canal

Deformable complex network for refining low-resolution X-ray structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Chong; Wang, Qinghua; Ma, Jianpeng, E-mail: jpma@bcm.edu

2015-10-27

A new refinement algorithm called the deformable complex network that combines a novel angular network-based restraint with a deformable elastic network model in the target function has been developed to aid in structural refinement in macromolecular X-ray crystallography. In macromolecular X-ray crystallography, building more accurate atomic models based on lower resolution experimental diffraction data remains a great challenge. Previous studies have used a deformable elastic network (DEN) model to aid in low-resolution structural refinement. In this study, the development of a new refinement algorithm called the deformable complex network (DCN) is reported that combines a novel angular network-based restraint withmore » the DEN model in the target function. Testing of DCN on a wide range of low-resolution structures demonstrated that it constantly leads to significantly improved structural models as judged by multiple refinement criteria, thus representing a new effective refinement tool for low-resolution structural determination.« less

Integrated process for the solvent refining of coal

DOEpatents

Garg, Diwakar

1983-01-01

A process is set forth for the integrated liquefaction of coal by the catalytic solvent refining of a feed coal in a first stage to liquid and solid products and the catalytic hydrogenation of the solid product in a second stage to produce additional liquid product. A fresh inexpensive, throw-away catalyst is utilized in the second stage hydrogenation of the solid product and this catalyst is recovered and recycled for catalyst duty in the solvent refining stage without any activation steps performed on the used catalyst prior to its use in the solvent refining of feed coal.

Refined images of the crust around the SAFOD drill site derived from combined active and passive seismic experiment data

NASA Astrophysics Data System (ADS)

Roecker, S.; Thurber, C.; Shuler, A.; Liu, Y.; Zhang, H.; Powell, L.

2005-12-01

Five years of effort collecting and analyzing earthquake and explosion data in the vicinity of the SAFOD drill site culminated in the determination of the final trajectory for summer 2005's Phase 2 drilling. The trajectory was defined to optimize the chance of reaching one of two adjacent M2 "target earthquake" fault patches, whose centroids are separated horizontally by about 50 meters, with one or more satellite coreholes planned for Phase 3 drilling in summer 2007. Some of the most critical data for the final targeting were explosion data recorded on a Paulsson Geophysical Services, Inc., 80-element 3-component borehole string and earthquake data recorded on a pair of 3-component Duke University geophones in the SAFOD borehole. We are now utilizing the full 5-year dataset to refine our knowledge of three-dimensional (3D) crustal structure, wave propagation characteristics, and earthquake locations around SAFOD. These efforts are proceeding in parallel in several directions. Improved picks from a careful reanalysis of shear waves observed on the PASO array will be used in deriving an improved tomographic 3D wavespeed model. We are using finite-difference waveform modeling to investigate waveform complexity for earthquakes in and near the target region, including fault-zone head waves and strong secondary S-wave arrivals. A variety of waveform imaging methods are being applied to image fine-scale 3D structure and subsurface scatterers, including fault zones. In the process, we aim to integrate geophysical logging and geologic observations with our models to try to associate the target region earthquake activity, which is occurring on two fault strands about 280 meters apart, with shear zones encountered in the SAFOD Phase-2 borehole. These observations will be agumented and the target earthquake locations further refined over the next 2 years through downhole and surface recording of natural earthquakes and surface shots conducted at PASO station locations.

Dilemma for high-tech refiners

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

The price difference between lighter and heavier crude oils, and between light and heavy refined products, amounts to the incentive for refiners to upgrade processing facilities. When that differential widens, the incentive to utilize lower price, lower quality crude is enhanced; when it narrows, the desirability of relying on light oil prices and supplies is intensified. The incentive to upgrade has been eroded ever since 1981 ushered in world-wide overproduction of crude oil. Lower demand due to recession met with increased pressure on producers to compete for market shares to maintain vital revenue levels - for private and national oilmore » companies alike. Light crude prices suffered, while heavy crude prices improved. As of mid-1984, the shrinkage of the price differential went into dormancy (see Energy Detente 8/8/84, A Hey-Day for Heavy Crudes) after both Mexico and Venezuela raised heavy oil prices by US $0.50 per barrel (bbl). Energy Detente refining netback data for the first half of October are presented for the US Gulf Coast and the US West Coast. The fuel price/tax series and the industrial fuel prices for October 1984 are included for countries of the Eastern Hemisphere.« less

REFINE WETLAND REGULATORY PROGRAM

EPA Science Inventory

The Tribes will work toward refining a regulatory program by taking a draft wetland conservation code with permitting incorporated to TEB for review. Progress will then proceed in developing a permit tracking system that will track both Tribal and fee land sites within reservati...

Choices, Frameworks and Refinement

NASA Technical Reports Server (NTRS)

Campbell, Roy H.; Islam, Nayeem; Johnson, Ralph; Kougiouris, Panos; Madany, Peter

1991-01-01

In this paper we present a method for designing operating systems using object-oriented frameworks. A framework can be refined into subframeworks. Constraints specify the interactions between the subframeworks. We describe how we used object-oriented frameworks to design Choices, an object-oriented operating system.

30 CFR 208.4 - Royalty oil sales to eligible refiners.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 30 Mineral Resources 2 2010-07-01 2010-07-01 false Royalty oil sales to eligible refiners. 208.4... MANAGEMENT SALE OF FEDERAL ROYALTY OIL General Provisions § 208.4 Royalty oil sales to eligible refiners. (a... and defense. The Secretary will review these items and will determine whether eligible refiners have...

Hirshfeld atom refinement

PubMed Central

Capelli, Silvia C.; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan

2014-01-01

Hirshfeld atom refinement (HAR) is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly–l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree–Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs) are freely refined without constraints or restraints – even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu’s), all other structural parameters agree within less than 2 csu’s. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules), the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å2 as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements – an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å. PMID:25295177

Refining glass structure in two dimensions

NASA Astrophysics Data System (ADS)

Sadjadi, Mahdi; Bhattarai, Bishal; Drabold, D. A.; Thorpe, M. F.; Wilson, Mark

2017-11-01

Recently determined atomistic scale structures of near-two dimensional bilayers of vitreous silica (using scanning probe and electron microscopy) allow us to refine the experimentally determined coordinates to incorporate the known local chemistry more precisely. Further refinement is achieved by using classical potentials of varying complexity: one using harmonic potentials and the second employing an electrostatic description incorporating polarization effects. These are benchmarked against density functional calculations. Our main findings are that (a) there is a symmetry plane between the two disordered layers, a nice example of an emergent phenomena, (b) the layers are slightly tilted so that the Si-O-Si angle between the two layers is not 180∘ as originally thought but rather 175 ±2∘ , and (c) while interior areas that are not completely imagined can be reliably reconstructed, surface areas are more problematic. It is shown that small crystallites that appear are just as expected statistically in a continuous random network. This provides a good example of the value that can be added to disordered structures imaged at the atomic level by implementing computer refinement.

Coloured Petri Net Refinement Specification and Correctness Proof with Coq

NASA Technical Reports Server (NTRS)

Choppy, Christine; Mayero, Micaela; Petrucci, Laure

2009-01-01

In this work, we address the formalisation of symmetric nets, a subclass of coloured Petri nets, refinement in COQ. We first provide a formalisation of the net models, and of their type refinement in COQ. Then the COQ proof assistant is used to prove the refinement correctness lemma. An example adapted from a protocol example illustrates our work.

40 CFR 80.235 - How does a refiner obtain approval as a small refiner?

Code of Federal Regulations, 2010 CFR

2010-07-01

... commercial delivery: U.S. EPA, Attn: Sulfur Program (6406J), 501 3rd Street, NW, Washington, DC 20001. (c.... The information submitted must show that the refiner employed an average of no more than 1500 people...

Insights into the base of the critical zone from geophysical logging and groundwater flow testing at U.S. Critical Zone Observatories (CZO) and critical zone study sites (CZs)

NASA Astrophysics Data System (ADS)

Carr, B.; Zhang, Y.; Ren, S.; Flinchum, B. A.; Parsekian, A.; Holbrook, S.; Riebe, C. S.; Moravec, B. G.; Chorover, J.; Pelletier, J. D.; Richter, D. D., Jr.

2017-12-01

) that can be integrated with geophysical logging data. Because fracture permeability is the dominant mechanism for groundwater transport in these igneous environments, a joint analysis of geophysical logging and hydraulic testing data provides in situ material-property-based refinements for the defining the base of the critical zone.

Satellite SAR geocoding with refined RPC model

NASA Astrophysics Data System (ADS)

Zhang, Lu; Balz, Timo; Liao, Mingsheng

2012-04-01

Recent studies have proved that the Rational Polynomial Camera (RPC) model is able to act as a reliable replacement of the rigorous Range-Doppler (RD) model for the geometric processing of satellite SAR datasets. But its capability in absolute geolocation of SAR images has not been evaluated quantitatively. Therefore, in this article the problems of error analysis and refinement of SAR RPC model are primarily investigated to improve the absolute accuracy of SAR geolocation. Range propagation delay and azimuth timing error are identified as two major error sources for SAR geolocation. An approach based on SAR image simulation and real-to-simulated image matching is developed to estimate and correct these two errors. Afterwards a refined RPC model can be built from the error-corrected RD model and then used in satellite SAR geocoding. Three experiments with different settings are designed and conducted to comprehensively evaluate the accuracies of SAR geolocation with both ordinary and refined RPC models. All the experimental results demonstrate that with RPC model refinement the absolute location accuracies of geocoded SAR images can be improved significantly, particularly in Easting direction. In another experiment the computation efficiencies of SAR geocoding with both RD and RPC models are compared quantitatively. The results show that by using the RPC model such efficiency can be remarkably improved by at least 16 times. In addition the problem of DEM data selection for SAR image simulation in RPC model refinement is studied by a comparative experiment. The results reveal that the best choice should be using the proper DEM datasets of spatial resolution comparable to that of the SAR images.

U.S. Refining Capacity Utilization

EIA Publications

1995-01-01

This article briefly reviews recent trends in domestic refining capacity utilization and examines in detail the differences in reported crude oil distillation capacities and utilization rates among different classes of refineries.

Bayesian ensemble refinement by replica simulations and reweighting.

PubMed

Hummer, Gerhard; Köfinger, Jürgen

2015-12-28

We describe different Bayesian ensemble refinement methods, examine their interrelation, and discuss their practical application. With ensemble refinement, the properties of dynamic and partially disordered (bio)molecular structures can be characterized by integrating a wide range of experimental data, including measurements of ensemble-averaged observables. We start from a Bayesian formulation in which the posterior is a functional that ranks different configuration space distributions. By maximizing this posterior, we derive an optimal Bayesian ensemble distribution. For discrete configurations, this optimal distribution is identical to that obtained by the maximum entropy "ensemble refinement of SAXS" (EROS) formulation. Bayesian replica ensemble refinement enhances the sampling of relevant configurations by imposing restraints on averages of observables in coupled replica molecular dynamics simulations. We show that the strength of the restraints should scale linearly with the number of replicas to ensure convergence to the optimal Bayesian result in the limit of infinitely many replicas. In the "Bayesian inference of ensembles" method, we combine the replica and EROS approaches to accelerate the convergence. An adaptive algorithm can be used to sample directly from the optimal ensemble, without replicas. We discuss the incorporation of single-molecule measurements and dynamic observables such as relaxation parameters. The theoretical analysis of different Bayesian ensemble refinement approaches provides a basis for practical applications and a starting point for further investigations.

Bayesian ensemble refinement by replica simulations and reweighting

NASA Astrophysics Data System (ADS)

Hummer, Gerhard; Köfinger, Jürgen

2015-12-01

We describe different Bayesian ensemble refinement methods, examine their interrelation, and discuss their practical application. With ensemble refinement, the properties of dynamic and partially disordered (bio)molecular structures can be characterized by integrating a wide range of experimental data, including measurements of ensemble-averaged observables. We start from a Bayesian formulation in which the posterior is a functional that ranks different configuration space distributions. By maximizing this posterior, we derive an optimal Bayesian ensemble distribution. For discrete configurations, this optimal distribution is identical to that obtained by the maximum entropy "ensemble refinement of SAXS" (EROS) formulation. Bayesian replica ensemble refinement enhances the sampling of relevant configurations by imposing restraints on averages of observables in coupled replica molecular dynamics simulations. We show that the strength of the restraints should scale linearly with the number of replicas to ensure convergence to the optimal Bayesian result in the limit of infinitely many replicas. In the "Bayesian inference of ensembles" method, we combine the replica and EROS approaches to accelerate the convergence. An adaptive algorithm can be used to sample directly from the optimal ensemble, without replicas. We discuss the incorporation of single-molecule measurements and dynamic observables such as relaxation parameters. The theoretical analysis of different Bayesian ensemble refinement approaches provides a basis for practical applications and a starting point for further investigations.

Using supercritical fluids to refine hydrocarbons

DOEpatents

Yarbro, Stephen Lee

2015-06-09

A system and method for reactively refining hydrocarbons, such as heavy oils with API gravities of less than 20 degrees and bitumen-like hydrocarbons with viscosities greater than 1000 cp at standard temperature and pressure, using a selected fluid at supercritical conditions. A reaction portion of the system and method delivers lightweight, volatile hydrocarbons to an associated contacting unit which operates in mixed subcritical/supercritical or supercritical modes. Using thermal diffusion, multiphase contact, or a momentum generating pressure gradient, the contacting unit separates the reaction products into portions that are viable for use or sale without further conventional refining and hydro-processing techniques.

Exploration of interaction zones of β-tubulin colchicine binding domain of helminths and binding mechanism of anthelmintics.

PubMed

Ranjan, Prabodh; Kumar, Sivakumar Prasanth; Kari, Vijayakrishna; Jha, Prakash Chandra

2017-06-01

Numerous studies postulated the possible modes of anthelmintic activity by targeting alternate or extended regions of colchicine binding domain of helminth β-tubulin. We present three interaction zones (zones vide -1 to -3) in the colchicine binding domain of Haemonchus contortus (a helminth) β-tubulin homology model and developed zone-wise structure-based pharmacophore models coupled with molecular docking technique to unveil the binding hypotheses. The resulted ten structure-based hypotheses were then refined to essential three point pharmacophore features that captured recurring and crucial non-covalent receptor contacts and proposed three characteristics necessary for optimal zone-2 binding: a conserved pair of H bond acceptor (HBA to form H bond with Asn226 residue) and an aliphatic moiety of molecule separated by 3.75±0.44Å. Further, an aliphatic or a heterocyclic group distant (11.75±1.14Å) to the conserved aliphatic site formed the third feature component in the zone-2 specific anthelmintic pharmacophore model. Alternatively, an additional HBA can be substituted as a third component to establish H bonding with Asn204. We discern that selective zone-2 anthelmintics can be designed effectively by closely adapting the pharmacophore feature patterns and its geometrical constraints. Copyright © 2017 Elsevier Ltd. All rights reserved.

Carpet: Adaptive Mesh Refinement for the Cactus Framework

NASA Astrophysics Data System (ADS)

Schnetter, Erik; Hawley, Scott; Hawke, Ian

2016-11-01

Carpet is an adaptive mesh refinement and multi-patch driver for the Cactus Framework (ascl:1102.013). Cactus is a software framework for solving time-dependent partial differential equations on block-structured grids, and Carpet acts as driver layer providing adaptive mesh refinement, multi-patch capability, as well as parallelization and efficient I/O.

Use of Friction Stir Processing for Improving Heat-Affected Zone Liquation Cracking Resistance of a Cast Magnesium Alloy AZ91D

NASA Astrophysics Data System (ADS)

Karthik, G. M.; Janaki Ram, G. D.; Kottada, Ravi Sankar

2017-12-01

In this work, a cast magnesium alloy AZ91D was friction stir processed. Detailed microstructural studies and Gleeble hot ductility tests were conducted on the as-cast and the FSPed samples to comparatively assess their heat-affected zone liquation cracking behavior. The results show that the use of FSP as a pretreatment to fusion welding can strikingly improve the heat-affected zone liquation cracking resistance of alloy AZ91D by reducing the amount and size of the low-melting eutectic β (Mg17Al12) as well as by refining the matrix grain size.

Refining Linear Fuzzy Rules by Reinforcement Learning

NASA Technical Reports Server (NTRS)

Berenji, Hamid R.; Khedkar, Pratap S.; Malkani, Anil

1996-01-01

Linear fuzzy rules are increasingly being used in the development of fuzzy logic systems. Radial basis functions have also been used in the antecedents of the rules for clustering in product space which can automatically generate a set of linear fuzzy rules from an input/output data set. Manual methods are usually used in refining these rules. This paper presents a method for refining the parameters of these rules using reinforcement learning which can be applied in domains where supervised input-output data is not available and reinforcements are received only after a long sequence of actions. This is shown for a generalization of radial basis functions. The formation of fuzzy rules from data and their automatic refinement is an important step in closing the gap between the application of reinforcement learning methods in the domains where only some limited input-output data is available.

Humanoid Mobile Manipulation Using Controller Refinement

NASA Technical Reports Server (NTRS)

Platt, Robert; Burridge, Robert; Diftler, Myron; Graf, Jodi; Goza, Mike; Huber, Eric; Brock, Oliver

2006-01-01

An important class of mobile manipulation problems are move-to-grasp problems where a mobile robot must navigate to and pick up an object. One of the distinguishing features of this class of tasks is its coarse-to-fine structure. Near the beginning of the task, the robot can only sense the target object coarsely or indirectly and make gross motion toward the object. However, after the robot has located and approached the object, the robot must finely control its grasping contacts using precise visual and haptic feedback. This paper proposes that move-to-grasp problems are naturally solved by a sequence of controllers that iteratively refines what ultimately becomes the final solution. This paper introduces the notion of a refining sequence of controllers and characterizes this type of solution. The approach is demonstrated in a move-to-grasp task where Robonaut, the NASA/JSC dexterous humanoid, is mounted on a mobile base and navigates to and picks up a geological sample box. In a series of tests, it is shown that a refining sequence of controllers decreases variance in robot configuration relative to the sample box until a successful grasp has been achieved.

Humanoid Mobile Manipulation Using Controller Refinement

NASA Technical Reports Server (NTRS)

Platt, Robert; Burridge, Robert; Diftler, Myron; Graf, Jodi; Goza, Mike; Huber, Eric

2006-01-01

An important class of mobile manipulation problems are move-to-grasp problems where a mobile robot must navigate to and pick up an object. One of the distinguishing features of this class of tasks is its coarse-to-fine structure. Near the beginning of the task, the robot can only sense the target object coarsely or indirectly and make gross motion toward the object. However, after the robot has located and approached the object, the robot must finely control its grasping contacts using precise visual and haptic feedback. In this paper, it is proposed that move-to-grasp problems are naturally solved by a sequence of controllers that iteratively refines what ultimately becomes the final solution. This paper introduces the notion of a refining sequence of controllers and characterizes this type of solution. The approach is demonstrated in a move-to-grasp task where Robonaut, the NASA/JSC dexterous humanoid, is mounted on a mobile base and navigates to and picks up a geological sample box. In a series of tests, it is shown that a refining sequence of controllers decreases variance in robot configuration relative to the sample box until a successful grasp has been achieved.

ADAPTIVE TETRAHEDRAL GRID REFINEMENT AND COARSENING IN MESSAGE-PASSING ENVIRONMENTS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hallberg, J.; Stagg, A.

2000-10-01

A grid refinement and coarsening scheme has been developed for tetrahedral and triangular grid-based calculations in message-passing environments. The element adaption scheme is based on an edge bisection of elements marked for refinement by an appropriate error indicator. Hash-table/linked-list data structures are used to store nodal and element formation. The grid along inter-processor boundaries is refined and coarsened consistently with the update of these data structures via MPI calls. The parallel adaption scheme has been applied to the solution of a transient, three-dimensional, nonlinear, groundwater flow problem. Timings indicate efficiency of the grid refinement process relative to the flow solvermore » calculations.« less

REFINING FLUORINATED COMPOUNDS

DOEpatents

Linch, A.L.

1963-01-01

This invention relates to the method of refining a liquid perfluorinated hydrocarbon oil containing fluorocarbons from 12 to 28 carbon atoms per molecule by distilling between 150 deg C and 300 deg C at 10 mm Hg absolute pressure. The perfluorinated oil is washed with a chlorinated lower aliphatic hydrocarbon, which mairtains a separate liquid phase when mixed with the oil. Impurities detrimental to the stability of the oil are extracted by the chlorinated lower aliphatic hydrocarbon. (AEC)

Influence of Mg on Grain Refinement of Near Eutectic Al-Si Alloys

NASA Astrophysics Data System (ADS)

Ravi, K. R.; Manivannan, S.; Phanikumar, G.; Murty, B. S.; Sundarraj, Suresh

2011-07-01

Although the grain-refinement practice is well established for wrought Al alloys, in the case of foundry alloys such as near eutectic Al-Si alloys, the underlying mechanisms and the use of grain refiners need better understanding. Conventional grain refiners such as Al-5Ti-1B are not effective in grain refining the Al-Si alloys due to the poisoning effect of Si. In this work, we report the results of a newly developed grain refiner, which can effectively grain refine as well as modify eutectic and primary Si in near eutectic Al-Si alloys. Among the material choices, the grain refining response with Al-1Ti-3B master alloy is found to be superior compared to the conventional Al-5Ti-1B master alloy. It was also found that magnesium additions of 0.2 wt pct along with the Al-1Ti-3B master alloy further enhance the near eutectic Al-Si alloy's grain refining efficiency, thus leading to improved bulk mechanical properties. We have found that magnesium essentially scavenges the oxygen present on the surface of nucleant particles, improves wettability, and reduces the agglomeration tendency of boride particles, thereby enhancing grain refining efficiency. It allows the nucleant particles to act as potent and active nucleation sites even at levels as low as 0.2 pct in the Al-1Ti-3B master alloy.

Improving the accuracy of macromolecular structure refinement at 7 Å resolution.

PubMed

Brunger, Axel T; Adams, Paul D; Fromme, Petra; Fromme, Raimund; Levitt, Michael; Schröder, Gunnar F

2012-06-06

In X-ray crystallography, molecular replacement and subsequent refinement is challenging at low resolution. We compared refinement methods using synchrotron diffraction data of photosystem I at 7.4 Å resolution, starting from different initial models with increasing deviations from the known high-resolution structure. Standard refinement spoiled the initial models, moving them further away from the true structure and leading to high R(free)-values. In contrast, DEN refinement improved even the most distant starting model as judged by R(free), atomic root-mean-square differences to the true structure, significance of features not included in the initial model, and connectivity of electron density. The best protocol was DEN refinement with initial segmented rigid-body refinement. For the most distant initial model, the fraction of atoms within 2 Å of the true structure improved from 24% to 60%. We also found a significant correlation between R(free) values and the accuracy of the model, suggesting that R(free) is useful even at low resolution. Copyright © 2012 Elsevier Ltd. All rights reserved.

Controlling Reflections from Mesh Refinement Interfaces in Numerical Relativity

NASA Technical Reports Server (NTRS)

Baker, John G.; Van Meter, James R.

2005-01-01

A leading approach to improving the accuracy on numerical relativity simulations of black hole systems is through fixed or adaptive mesh refinement techniques. We describe a generic numerical error which manifests as slowly converging, artificial reflections from refinement boundaries in a broad class of mesh-refinement implementations, potentially limiting the effectiveness of mesh- refinement techniques for some numerical relativity applications. We elucidate this numerical effect by presenting a model problem which exhibits the phenomenon, but which is simple enough that its numerical error can be understood analytically. Our analysis shows that the effect is caused by variations in finite differencing error generated across low and high resolution regions, and that its slow convergence is caused by the presence of dramatic speed differences among propagation modes typical of 3+1 relativity. Lastly, we resolve the problem, presenting a class of finite-differencing stencil modifications which eliminate this pathology in both our model problem and in numerical relativity examples.

Method for refining contaminated iridium

DOEpatents

Heshmatpour, B.; Heestand, R.L.

1982-08-31

Contaminated iridium is refined by alloying it with an alloying agent selected from the group consisting of manganese and an alloy of manganese and copper, and then dissolving the alloying agent from the formed alloy to provide a purified iridium powder.

The Influence of Grain Refiners on the Efficiency of Ceramic Foam Filters

NASA Astrophysics Data System (ADS)

Towsey, Nicholas; Schneider, Wolfgang; Krug, Hans-Peter; Hardman, Angela; Keegan, Neil J.

An extensive program of work has been carried out to evaluate the efficiency of ceramic foam filters under carefully controlled conditions. Work reported at previous TMS meetings showed that in the absence of grain refiners, ceramic foam filters have the capacity for high filtration efficiency and consistent, reliable performance. The current phase of the investigation focuses on the impact grain refiner additions have on filter performance. The high filtration efficiencies obtained using 50 or 80ppi CFF's in the absence of grain refiners diminish when Al-3%Ti-1%B grain refiners are added. This, together with the impact of incoming inclusion loading on filter performance and the level of grain refiner addition are considered in detail. The new generation Al-3%Ti-0.15%C grain refiner has also been included. At typical addition levels (1kg/tonne) the effect on filter efficiency is similar to that for TiB2based grain refiners. The work was again conducted on a production scale using AA1050 alloy. Metal quality was determined using LiMCA and PoDFA. Spent filters were also analysed.

Care zoning in a psychiatric intensive care unit: strengthening ongoing clinical risk assessment.

PubMed

Mullen, Antony; Drinkwater, Vincent; Lewin, Terry J

2014-03-01

To implement and evaluate the care zoning model in an eight-bed psychiatric intensive care unit and, specifically, to examine the model's ability to improve the documentation and communication of clinical risk assessment and management. Care zoning guides nurses in assessing clinical risk and planning care within a mental health context. Concerns about the varying quality of clinical risk assessment prompted a trial of the care zoning model in a psychiatric intensive care unit within a regional mental health facility. The care zoning model assigns patients to one of 3 'zones' according to their clinical risk, encouraging nurses to document and implement targeted interventions required to manage those risks. An implementation trial framework was used for this research to refine, implement and evaluate the impact of the model on nurses' clinical practice within the psychiatric intensive care unit, predominantly as a quality improvement initiative. The model was trialled for three months using a pre- and postimplementation staff survey, a pretrial file audit and a weekly file audit. Informal staff feedback was also sought via surveys and regular staff meetings. This trial demonstrated improvement in the quality of mental state documentation, and clinical risk information was identified more accurately. There was limited improvement in the quality of care planning and the documentation of clinical interventions. Nurses' initial concerns over the introduction of the model shifted into overall acceptance and recognition of the benefits. The results of this trial demonstrate that the care zoning model was able to improve the consistency and quality of risk assessment information documented. Care planning and evaluation of associated outcomes showed less improvement. Care zoning remains a highly applicable model for the psychiatric intensive care unit environment and is a useful tool in guiding nurses to carry out routine patient risk assessments. © 2013 John Wiley & Sons

Improved ligand geometries in crystallographic refinement using AFITT in PHENIX

DOE PAGES

Janowski, Pawel A.; Moriarty, Nigel W.; Kelley, Brian P.; ...

2016-08-31

Modern crystal structure refinement programs rely on geometry restraints to overcome the challenge of a low data-to-parameter ratio. While the classical Engh and Huber restraints work well for standard amino-acid residues, the chemical complexity of small-molecule ligands presents a particular challenge. Most current approaches either limit ligand restraints to those that can be readily described in the Crystallographic Information File (CIF) format, thus sacrificing chemical flexibility and energetic accuracy, or they employ protocols that substantially lengthen the refinement time, potentially hindering rapid automated refinement workflows.PHENIX–AFITTrefinement uses a full molecular-mechanics force field for user-selected small-molecule ligands during refinement, eliminating the potentiallymore » difficult problem of finding or generating high-quality geometry restraints. It is fully integrated with a standard refinement protocol and requires practically no additional steps from the user, making it ideal for high-throughput workflows.PHENIX–AFITTrefinements also handle multiple ligands in a single model, alternate conformations and covalently bound ligands. Here, the results of combiningAFITTand thePHENIXsoftware suite on a data set of 189 protein–ligand PDB structures are presented. Refinements usingPHENIX–AFITTsignificantly reduce ligand conformational energy and lead to improved geometries without detriment to the fit to the experimental data. Finally, for the data presented,PHENIX–AFITTrefinements result in more chemically accurate models for small-molecule ligands.« less

40 CFR 80.1622 - Approval for small refiner and small volume refinery status.

Code of Federal Regulations, 2014 CFR

2014-07-01

... appropriate data to correct the record when the company submits its application. (ii) Foreign small refiners... 40 Protection of Environment 17 2014-07-01 2014-07-01 false Approval for small refiner and small... Approval for small refiner and small volume refinery status. (a) Applications for small refiner or small...

Evaluation of deep vadose zone contaminant flux into groundwater: Approach and case study

NASA Astrophysics Data System (ADS)

Oostrom, M.; Truex, M. J.; Last, G. V.; Strickland, C. E.; Tartakovsky, G. D.

2016-06-01

For sites with a contaminant source located in the vadose zone, the nature and extent of groundwater contaminant plumes are a function of the contaminant flux from the vadose zone to groundwater. Especially for thick vadose zones, transport may be relatively slow making it difficult to directly measure contaminant flux. An integrated assessment approach, supported by site characterization and monitoring data, is presented to explain current vadose zone contaminant distributions and to estimate future contaminant flux to groundwater in support of remediation decisions. The U.S. Department of Energy Hanford Site (WA, USA) SX Tank Farm was used as a case study because of a large existing contaminant inventory in its deep vadose zone, the presence of a limited-extent groundwater plume, and the relatively large amount of available data for the site. A predictive quantitative analysis was applied to refine a baseline conceptual model through the completion of a series of targeted simulations. The analysis revealed that site recharge is the most important flux-controlling process for future contaminant flux. Tank leak characteristics and subsurface heterogeneities appear to have a limited effect on long-term contaminant flux into groundwater. The occurrence of the current technetium-99 groundwater plume was explained by taking into account a considerable historical water-line leak adjacent to one of the tanks. The analysis further indicates that the vast majority of technetium-99 is expected to migrate into the groundwater during the next century. The approach provides a template for use in evaluating contaminant flux to groundwater using existing site data and has elements that are relevant to other disposal sites with a thick vadose zone.

Evaluation of Deep Vadose Zone Contaminant Flux into Groundwater: Approach and Case Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oostrom, Martinus; Truex, Michael J.; Last, George V.

For sites with a contaminant source located in the vadose zone, the nature and extent of groundwater contaminant plumes are a function of the contaminant flux from the vadose zone to groundwater. Especially for thick vadose zones, transport may be relatively slow making it difficult to directly measure contaminant flux. An integrated assessment approach, supported by site characterization and monitoring data, is presented to explain current vadose zone contaminant distributions and to estimate future contaminant flux to groundwater in support of remediation decisions. The U.S. Department of Energy Hanford Site (WA, USA) SX Tank Farm was used as a casemore » study because of a large existing contaminant inventory in its deep vadose zone, the presence of a limited-extent groundwater plume, and the relatively large amount of available data for the site. A predictive quantitative analysis was applied to refine a baseline conceptual model through the completion of a series of targeted simulations. The analysis revealed that site recharge is the most important flux-controlling process for future contaminant flux. Tank leak characteristics and subsurface heterogeneities appear to have a limited effect on long-term contaminant flux into groundwater. The occurrence of the current technetium-99 groundwater plume was explained by taking into account a considerable historical water-line leak adjacent to one of the tanks. The analysis further indicates that the vast majority of technetium-99 is expected to migrate into the groundwater during the next century. The approach provides a template for use in evaluating contaminant flux to groundwater using existing site data and has elements that are relevant to other disposal sites with a thick vadose zone.« less

Microstructure characterization of the stir zone of submerged friction stir processed aluminum alloy 2219

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feng, Xiuli, E-mail: feng.97@osu.edu; State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001; Liu, Huijie, E-mail: liuhj@hit.edu.cn

Aluminum alloy 2219-T6 was friction stir processed using a novel submerged processing technique to facilitate cooling. Processing was conducted at a constant tool traverse speed of 200 mm/min and spindle rotation speeds in the range from 600 to 800 rpm. The microstructural characteristics of the base metal and processed zone, including grain structure and precipitation behavior, were studied using optical microscopy (OM), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Microhardness maps were constructed on polished cross sections of as-processed samples. The effect of tool rotation speed on the microstructure and hardness of the stir zone was investigated. Themore » average grain size of the stir zone was much smaller than that of the base metal, but the hardness was also lower due to the formation of equilibrium θ precipitates from the base metal θ′ precipitates. Stir zone hardness was found to decrease with increasing rotation speed (heat input). The effect of processing conditions on strength (hardness) was rationalized based on the competition between grain refinement strengthening and softening due to precipitate overaging. - Highlights: • SZ grain size (∼ 1 μm) is reduced by over one order of magnitude relative to the BM. • Hardness in the SZ is lower than that of the precipitation strengthened BM. • Metastable θ′ in the base metal transforms to equilibrium θ in the stir zone. • Softening in the SZ results from a decrease of precipitation strengthening.« less

Iron-absorption band analysis for the discrimination of iron-rich zones

NASA Technical Reports Server (NTRS)

Rowan, L. C. (Principal Investigator)

1973-01-01

The author has identified the following significant results. Study has concentrated on the two primary aspects of the project, structural analysis through evaluation of lineaments and circular features and spectral analyses through digital computer-processing techniques. Several previously unrecognized lineaments are mapped which may be the surface manifestations of major fault or fracture zones. Two of these, the Walker Lane and the Midas Trench lineament system, transect the predominantly NNE-NNW-trending moutain ranges for more than 500 km. Correlation of major lineaments with productive mining districts implies a genetic relationship, the 50 circular or elliptical features delineated suggest a related role for Tertiary volcanism. Color-ratio composites have been used to identify limonitic zones and to discriminate mafic and felsic rock by combing diazo color transparencies of three different ratios. EROS Data Center scene identification number for color composite in this report is ER 1 CC 500. Refinement of enhancement procedures for the ratio images is progressing. Fieldwork in coordination with both spectral and structural analyses is underway.

Using Induction to Refine Information Retrieval Strategies

NASA Technical Reports Server (NTRS)

Baudin, Catherine; Pell, Barney; Kedar, Smadar

1994-01-01

Conceptual information retrieval systems use structured document indices, domain knowledge and a set of heuristic retrieval strategies to match user queries with a set of indices describing the document's content. Such retrieval strategies increase the set of relevant documents retrieved (increase recall), but at the expense of returning additional irrelevant documents (decrease precision). Usually in conceptual information retrieval systems this tradeoff is managed by hand and with difficulty. This paper discusses ways of managing this tradeoff by the application of standard induction algorithms to refine the retrieval strategies in an engineering design domain. We gathered examples of query/retrieval pairs during the system's operation using feedback from a user on the retrieved information. We then fed these examples to the induction algorithm and generated decision trees that refine the existing set of retrieval strategies. We found that (1) induction improved the precision on a set of queries generated by another user, without a significant loss in recall, and (2) in an interactive mode, the decision trees pointed out flaws in the retrieval and indexing knowledge and suggested ways to refine the retrieval strategies.

Mesh refinement strategy for optimal control problems

NASA Astrophysics Data System (ADS)

Paiva, L. T.; Fontes, F. A. C. C.

2013-10-01

Direct methods are becoming the most used technique to solve nonlinear optimal control problems. Regular time meshes having equidistant spacing are frequently used. However, in some cases these meshes cannot cope accurately with nonlinear behavior. One way to improve the solution is to select a new mesh with a greater number of nodes. Another way, involves adaptive mesh refinement. In this case, the mesh nodes have non equidistant spacing which allow a non uniform nodes collocation. In the method presented in this paper, a time mesh refinement strategy based on the local error is developed. After computing a solution in a coarse mesh, the local error is evaluated, which gives information about the subintervals of time domain where refinement is needed. This procedure is repeated until the local error reaches a user-specified threshold. The technique is applied to solve the car-like vehicle problem aiming minimum consumption. The approach developed in this paper leads to results with greater accuracy and yet with lower overall computational time as compared to using a time meshes having equidistant spacing.

A new parallelization scheme for adaptive mesh refinement

DOE PAGES

Loffler, Frank; Cao, Zhoujian; Brandt, Steven R.; ...

2016-05-06

Here, we present a new method for parallelization of adaptive mesh refinement called Concurrent Structured Adaptive Mesh Refinement (CSAMR). This new method offers the lower computational cost (i.e. wall time x processor count) of subcycling in time, but with the runtime performance (i.e. smaller wall time) of evolving all levels at once using the time step of the finest level (which does more work than subcycling but has less parallelism). We demonstrate our algorithm's effectiveness using an adaptive mesh refinement code, AMSS-NCKU, and show performance on Blue Waters and other high performance clusters. For the class of problem considered inmore » this paper, our algorithm achieves a speedup of 1.7-1.9 when the processor count for a given AMR run is doubled, consistent with our theoretical predictions.« less

A new parallelization scheme for adaptive mesh refinement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Loffler, Frank; Cao, Zhoujian; Brandt, Steven R.

Here, we present a new method for parallelization of adaptive mesh refinement called Concurrent Structured Adaptive Mesh Refinement (CSAMR). This new method offers the lower computational cost (i.e. wall time x processor count) of subcycling in time, but with the runtime performance (i.e. smaller wall time) of evolving all levels at once using the time step of the finest level (which does more work than subcycling but has less parallelism). We demonstrate our algorithm's effectiveness using an adaptive mesh refinement code, AMSS-NCKU, and show performance on Blue Waters and other high performance clusters. For the class of problem considered inmore » this paper, our algorithm achieves a speedup of 1.7-1.9 when the processor count for a given AMR run is doubled, consistent with our theoretical predictions.« less

Depth of the vadose zone controls aquifer biogeochemical conditions and extent of anthropogenic nitrogen removal

USGS Publications Warehouse

Szymczycha, Beata; Kroeger, Kevin D.; Crusius, John; Bratton, John F.

2017-01-01

We investigated biogeochemical conditions and watershed features controlling the extent of nitrate removal through microbial dinitrogen (N2) production within the surficial glacial aquifer located on the north and south shores of Long Island, NY, USA. The extent of N2 production differs within portions of the aquifer, with greatest N2 production observed at the south shore of Long Island where the vadose zone is thinnest, while limited N2production occurred under the thick vadose zones on the north shore. In areas with a shallow water table and thin vadose zone, low oxygen concentrations and sufficient DOC concentrations are conducive to N2production. Results support the hypothesis that in aquifers without a significant supply of sediment-bound reducing potential, vadose zone thickness exerts an important control of the extent of N2 production. Since quantification of excess N2 relies on knowledge of equilibrium N2concentration at recharge, calculated based on temperature at recharge, we further identify several features, such as land use and cover, seasonality of recharge, and climate change that should be considered to refine estimation of recharge temperature, its deviation from mean annual air temperature, and resulting deviation from expected equilibrium gas concentrations.

Mesh quality control for multiply-refined tetrahedral grids

NASA Technical Reports Server (NTRS)

Biswas, Rupak; Strawn, Roger

1994-01-01

A new algorithm for controlling the quality of multiply-refined tetrahedral meshes is presented in this paper. The basic dynamic mesh adaption procedure allows localized grid refinement and coarsening to efficiently capture aerodynamic flow features in computational fluid dynamics problems; however, repeated application of the procedure may significantly deteriorate the quality of the mesh. Results presented show the effectiveness of this mesh quality algorithm and its potential in the area of helicopter aerodynamics and acoustics.

Three-dimensional landing zone ladar

NASA Astrophysics Data System (ADS)

Savage, James; Goodrich, Shawn; Burns, H. N.

2016-05-01

Three-Dimensional Landing Zone (3D-LZ) refers to a series of Air Force Research Laboratory (AFRL) programs to develop high-resolution, imaging ladar to address helicopter approach and landing in degraded visual environments with emphasis on brownout; cable warning and obstacle avoidance; and controlled flight into terrain. Initial efforts adapted ladar systems built for munition seekers, and success led to a the 3D-LZ Joint Capability Technology Demonstration (JCTD) , a 27-month program to develop and demonstrate a ladar subsystem that could be housed with the AN/AAQ-29 FLIR turret flown on US Air Force Combat Search and Rescue (CSAR) HH-60G Pave Hawk helicopters. Following the JCTD flight demonstration, further development focused on reducing size, weight, and power while continuing to refine the real-time geo-referencing, dust rejection, obstacle and cable avoidance, and Helicopter Terrain Awareness and Warning (HTAWS) capability demonstrated under the JCTD. This paper summarizes significant ladar technology development milestones to date, individual LADAR technologies within 3D-LZ, and results of the flight testing.

Refining As-cast β-Ti Grains Through ZrN Inoculation

NASA Astrophysics Data System (ADS)

Qiu, Dong; Zhang, Duyao; Easton, Mark A.; St John, David H.; Gibson, Mark A.

2018-03-01

The columnar-to-equiaxed transition and remarkable refinement of β-Ti grains occur in an as-cast Ti-13Mo alloy when a new grain refiner, ZrN, was inoculated at a nitrogen level as low as 0.4 wt pct. The grain refining effect is attributed to in situ-formed TiN particles that provide active nucleation sites and solute Zr that promotes constitutional supercooling. Reproducible orientation relationships were identified between TiN nucleants and β-Ti matrix, and well explained by the edge-to-edge matching model.

Parallel Adaptive Mesh Refinement Library

NASA Technical Reports Server (NTRS)

Mac-Neice, Peter; Olson, Kevin

2005-01-01

Parallel Adaptive Mesh Refinement Library (PARAMESH) is a package of Fortran 90 subroutines designed to provide a computer programmer with an easy route to extension of (1) a previously written serial code that uses a logically Cartesian structured mesh into (2) a parallel code with adaptive mesh refinement (AMR). Alternatively, in its simplest use, and with minimal effort, PARAMESH can operate as a domain-decomposition tool for users who want to parallelize their serial codes but who do not wish to utilize adaptivity. The package builds a hierarchy of sub-grids to cover the computational domain of a given application program, with spatial resolution varying to satisfy the demands of the application. The sub-grid blocks form the nodes of a tree data structure (a quad-tree in two or an oct-tree in three dimensions). Each grid block has a logically Cartesian mesh. The package supports one-, two- and three-dimensional models.

A grid-enabled web service for low-resolution crystal structure refinement.

PubMed

O'Donovan, Daniel J; Stokes-Rees, Ian; Nam, Yunsun; Blacklow, Stephen C; Schröder, Gunnar F; Brunger, Axel T; Sliz, Piotr

2012-03-01

Deformable elastic network (DEN) restraints have proved to be a powerful tool for refining structures from low-resolution X-ray crystallographic data sets. Unfortunately, optimal refinement using DEN restraints requires extensive calculations and is often hindered by a lack of access to sufficient computational resources. The DEN web service presented here intends to provide structural biologists with access to resources for running computationally intensive DEN refinements in parallel on the Open Science Grid, the US cyberinfrastructure. Access to the grid is provided through a simple and intuitive web interface integrated into the SBGrid Science Portal. Using this portal, refinements combined with full parameter optimization that would take many thousands of hours on standard computational resources can now be completed in several hours. An example of the successful application of DEN restraints to the human Notch1 transcriptional complex using the grid resource, and summaries of all submitted refinements, are presented as justification.

Initiating technical refinements in high-level golfers: Evidence for contradictory procedures.

PubMed

Carson, Howie J; Collins, Dave; Richards, Jim

2016-01-01

When developing motor skills there are several outcomes available to an athlete depending on their skill status and needs. Whereas the skill acquisition and performance literature is abundant, an under-researched outcome relates to the refinement of already acquired and well-established skills. Contrary to current recommendations for athletes to employ an external focus of attention and a representative practice design,  Carson and  Collins' (2011) [Refining and regaining skills in fixation/diversification stage performers: The Five-A Model. International Review of Sport and Exercise Psychology, 4, 146-167. doi: 10.1080/1750984x.2011.613682 ] Five-A Model requires an initial narrowed internal focus on the technical aspect needing refinement: the implication being that environments which limit external sources of information would be beneficial to achieving this task. Therefore, the purpose of this paper was to (1) provide a literature-based explanation for why techniques counter to current recommendations may be (temporarily) appropriate within the skill refinement process and (2) provide empirical evidence for such efficacy. Kinematic data and self-perception reports are provided from high-level golfers attempting to consciously initiate technical refinements while executing shots onto a driving range and into a close proximity net (i.e. with limited knowledge of results). It was hypothesised that greater control over intended refinements would occur when environmental stimuli were reduced in the most unrepresentative practice condition (i.e. hitting into a net). Results confirmed this, as evidenced by reduced intra-individual movement variability for all participants' individual refinements, despite little or no difference in mental effort reported. This research offers coaches guidance when working with performers who may find conscious recall difficult during the skill refinement process.

Preliminary earthquake locations in the Kenai Peninsula recorded by the MOOS Array and their relationship to structure in the 1964 great earthquake zone

NASA Astrophysics Data System (ADS)

Li, J.; Abers, G. A.; Christensen, D. H.; Kim, Y.; Calkins, J. A.

2011-12-01

Earthquakes in subduction zones are mostly generated at the interface between the subducting and overlying plates. In 2006-2009, the MOOS (Multidisciplinary Observations Of Subduction) seismic array was deployed around the Kenai Peninsula, Alaska, consisting of 34 broadband seismometers recording for 1-3 years. This region spans the eastern end of the Aleutian megathrust that ruptured in the 1964 Mw 9.2 great earthquake, the second largest recorded earthquake, and ongoing seismicity is abundant. Here, we report an initial analysis of seismicity recorded by MOOS, in the context of preliminary imaging. There were 16,462 events detected in one year from initial STA/LTA signal detections and subsequent event associations from the MOOS Array. We manually reviewed them to eliminate distant earthquakes and noise, leaving 11,879 local earthquakes. To refine this catalog, an adaptive auto-regressive onset estimation algorithm was applied, doubling the original dataset and producing 20,659 P picks and 22,999 S picks for one month (September 2007). Inspection shows that this approach lead to almost negligible false alarms and many more events than hand picking. Within the well-sampled part of the array, roughly 200 km by 300 km, we locate 250% more earthquakes for one month than the permanent network catalog, or 10 earthquakes per day on this patch of the megathrust. Although the preliminary locations of earthquakes still show some scatter, we can see a concentration of events in a ~20-km-wide belt, part of which can be interpreted as seismogenic thrust zone. In conjunction with the seismicity study, we are imaging the plate interface with receiver functions. The main seismicity zone corresponds to the top of a low-velocity layer imaged in receiver functions, nominally attributed to the top of the downgoing plate. As we refine velocity models and apply relative relocation algorithms, we expect to improve the precision of the locations substantially. When combined with image

Hirshfeld atom refinement for modelling strong hydrogen bonds.

PubMed

Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A; Edwards, Alison J; Dominiak, Paulina M; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon

2014-09-01

High-resolution low-temperature synchrotron X-ray diffraction data of the salt L-phenylalaninium hydrogen maleate are used to test the new automated iterative Hirshfeld atom refinement (HAR) procedure for the modelling of strong hydrogen bonds. The HAR models used present the first examples of Z' > 1 treatments in the framework of wavefunction-based refinement methods. L-Phenylalaninium hydrogen maleate exhibits several hydrogen bonds in its crystal structure, of which the shortest and the most challenging to model is the O-H...O intramolecular hydrogen bond present in the hydrogen maleate anion (O...O distance is about 2.41 Å). In particular, the reconstruction of the electron density in the hydrogen maleate moiety and the determination of hydrogen-atom properties [positions, bond distances and anisotropic displacement parameters (ADPs)] are the focus of the study. For comparison to the HAR results, different spherical (independent atom model, IAM) and aspherical (free multipole model, MM; transferable aspherical atom model, TAAM) X-ray refinement techniques as well as results from a low-temperature neutron-diffraction experiment are employed. Hydrogen-atom ADPs are furthermore compared to those derived from a TLS/rigid-body (SHADE) treatment of the X-ray structures. The reference neutron-diffraction experiment reveals a truly symmetric hydrogen bond in the hydrogen maleate anion. Only with HAR is it possible to freely refine hydrogen-atom positions and ADPs from the X-ray data, which leads to the best electron-density model and the closest agreement with the structural parameters derived from the neutron-diffraction experiment, e.g. the symmetric hydrogen position can be reproduced. The multipole-based refinement techniques (MM and TAAM) yield slightly asymmetric positions, whereas the IAM yields a significantly asymmetric position.

Root Apex Transition Zone As Oscillatory Zone

PubMed Central

Baluška, František; Mancuso, Stefano

2013-01-01

Root apex of higher plants shows very high sensitivity to environmental stimuli. The root cap acts as the most prominent plant sensory organ; sensing diverse physical parameters such as gravity, light, humidity, oxygen, and critical inorganic nutrients. However, the motoric responses to these stimuli are accomplished in the elongation region. This spatial discrepancy was solved when we have discovered and characterized the transition zone which is interpolated between the apical meristem and the subapical elongation zone. Cells of this zone are very active in the cytoskeletal rearrangements, endocytosis and endocytic vesicle recycling, as well as in electric activities. Here we discuss the oscillatory nature of the transition zone which, together with several other features of this zone, suggest that it acts as some kind of command center. In accordance with the early proposal of Charles and Francis Darwin, cells of this root zone receive sensory information from the root cap and instruct the motoric responses of cells in the elongation zone. PMID:24106493

Computer-based self-organized tectonic zoning: a tentative pattern recognition for Iran

NASA Astrophysics Data System (ADS)

Zamani, Ahmad; Hashemi, Naser

2004-08-01

Conventional methods of tectonic zoning are frequently characterized by two deficiencies. The first one is the large uncertainty involved in tectonic zoning based on non-quantitative and subjective analysis. Failure to interpret accurately a large amount of data "by eye" is the second. In order to alleviate each of these deficiencies, the multivariate statistical method of cluster analysis has been utilized to seek and separate zones with similar tectonic pattern and construct automated self-organized multivariate tectonic zoning maps. This analytical method of tectonic regionalization is particularly useful for showing trends in tectonic evolution of a region that could not be discovered by any other means. To illustrate, this method has been applied for producing a general-purpose numerical tectonic zoning map of Iran. While there are some similarities between the self-organized multivariate numerical maps and the conventional maps, the cluster solution maps reveal some remarkable features that cannot be observed on the current tectonic maps. The following specific examples need to be noted: (1) The much disputed extent and rigidity of the Lut Rigid Block, described as the microplate of east Iran, is clearly revealed on the self-organized numerical maps. (2) The cluster solution maps reveal a striking similarity between this microplate and the northern Central Iran—including the Great Kavir region. (3) Contrary to the conventional map, the cluster solution maps make a clear distinction between the East Iranian Ranges and the Makran Mountains. (4) Moreover, an interesting similarity between the Azarbaijan region in the northwest and the Makran Mountains in the southeast and between the Kopet Dagh Ranges in the northeast and the Zagros Folded Belt in the southwest of Iran are revealed in the clustering process. This new approach to tectonic zoning is a starting point and is expected to be improved and refined by collection of new data. The method is also a useful

Analysis of contact zones from whole field isochromatics using reflection photoelasticity

NASA Astrophysics Data System (ADS)

Hariprasad, M. P.; Ramesh, K.

2018-06-01

This paper discusses the method for evaluating the unknown contact parameters by post processing the whole field fringe order data obtained from reflection photoelasticity in a nonlinear least squares sense. Recent developments in Twelve Fringe Photoelasticity (TFP) for fringe order evaluation from single isochromatics is utilized for the whole field fringe order evaluation. One of the issues in using TFP for reflection photoelasticity is the smudging of isochromatic data at the contact zone. This leads to error in identifying the origin of contact, which is successfully addressed by implementing a semi-automatic contact point refinement algorithm. The methodologies are initially verified for benchmark problems and demonstrated for two application problems of turbine blade and sheet pile contacting interfaces.

An adaptive mesh-moving and refinement procedure for one-dimensional conservation laws

NASA Technical Reports Server (NTRS)

Biswas, Rupak; Flaherty, Joseph E.; Arney, David C.

1993-01-01

We examine the performance of an adaptive mesh-moving and /or local mesh refinement procedure for the finite difference solution of one-dimensional hyperbolic systems of conservation laws. Adaptive motion of a base mesh is designed to isolate spatially distinct phenomena, and recursive local refinement of the time step and cells of the stationary or moving base mesh is performed in regions where a refinement indicator exceeds a prescribed tolerance. These adaptive procedures are incorporated into a computer code that includes a MacCormack finite difference scheme wih Davis' artificial viscosity model and a discretization error estimate based on Richardson's extrapolation. Experiments are conducted on three problems in order to qualify the advantages of adaptive techniques relative to uniform mesh computations and the relative benefits of mesh moving and refinement. Key results indicate that local mesh refinement, with and without mesh moving, can provide reliable solutions at much lower computational cost than possible on uniform meshes; that mesh motion can be used to improve the results of uniform mesh solutions for a modest computational effort; that the cost of managing the tree data structure associated with refinement is small; and that a combination of mesh motion and refinement reliably produces solutions for the least cost per unit accuracy.

Corporate Entrepreneurship Assessment Instrument (CEAI): Refinement and Validation of a Survey Measure

DTIC Science & Technology

2007-03-01

CORPORATE ENTREPRENEURSHIP ASSESSMENT INSTRUMENT (CEAI): REFINEMENT AND VALIDATION OF A SURVEY MEASURE...States Government. AFIT/GIR/ENV/07-M7 CORPORATE ENTREPRENEURSHIP ASSESSMENT INSTRUMENT (CEAI): REFINEMENT AND VALIDATION OF A SURVEY MEASURE...UNLIMITED AFIT/GIR/ENV/07-M7 CORPORATE ENTREPRENEURSHIP ASSESSMENT INSTRUMENT (CEAI): REFINEMENT AND VALIDATION OF A SURVEY MEASURE Michael

Zone separator for multiple zone vessels

DOEpatents

Jones, John B.

1983-02-01

A solids-gas contact vessel, having two vertically disposed distinct reaction zones, includes a dynamic seal passing solids from an upper to a lower zone and maintaining a gas seal against the transfer of the separate treating gases from one zone to the other, and including a stream of sealing fluid at the seal.

Construction and Application of a Refined Hospital Management Chain.

PubMed

Lihua, Yi

2016-01-01

Large scale development was quite common in the later period of hospital industrialization in China. Today, Chinese hospital management faces such problems as service inefficiency, high human resources cost, and low rate of capital use. This study analyzes the refined management chain of Wuxi No.2 People's Hospital. This consists of six gears namely, "organizational structure, clinical practice, outpatient service, medical technology, and nursing care and logistics." The gears are based on "flat management system targets, chief of medical staff, centralized outpatient service, intensified medical examinations, vertical nursing management and socialized logistics." The core concepts of refined hospital management are optimizing flow process, reducing waste, improving efficiency, saving costs, and taking good care of patients as most important. Keywords: Hospital, Refined, Management chain

Using supercritical fluids to refine hydrocarbons

DOEpatents

Yarbro, Stephen Lee

2014-11-25

This is a method to reactively refine hydrocarbons, such as heavy oils with API gravities of less than 20.degree. and bitumen-like hydrocarbons with viscosities greater than 1000 cp at standard temperature and pressure using a selected fluid at supercritical conditions. The reaction portion of the method delivers lighter weight, more volatile hydrocarbons to an attached contacting device that operates in mixed subcritical or supercritical modes. This separates the reaction products into portions that are viable for use or sale without further conventional refining and hydro-processing techniques. This method produces valuable products with fewer processing steps, lower costs, increased worker safety due to less processing and handling, allow greater opportunity for new oil field development and subsequent positive economic impact, reduce related carbon dioxide, and wastes typical with conventional refineries.

Refined 3d-3d correspondence

NASA Astrophysics Data System (ADS)

Alday, Luis F.; Genolini, Pietro Benetti; Bullimore, Mathew; van Loon, Mark

2017-04-01

We explore aspects of the correspondence between Seifert 3-manifolds and 3d N = 2 supersymmetric theories with a distinguished abelian flavour symmetry. We give a prescription for computing the squashed three-sphere partition functions of such 3d N = 2 theories constructed from boundary conditions and interfaces in a 4d N = 2∗ theory, mirroring the construction of Seifert manifold invariants via Dehn surgery. This is extended to include links in the Seifert manifold by the insertion of supersymmetric Wilson-'t Hooft loops in the 4d N = 2∗ theory. In the presence of a mass parameter cfor the distinguished flavour symmetry, we recover aspects of refined Chern-Simons theory with complex gauge group, and in particular construct an analytic continuation of the S-matrix of refined Chern-Simons theory.

Aerodynamic design optimization via reduced Hessian SQP with solution refining

NASA Technical Reports Server (NTRS)

Feng, Dan; Pulliam, Thomas H.

1995-01-01

An all-at-once reduced Hessian Successive Quadratic Programming (SQP) scheme has been shown to be efficient for solving aerodynamic design optimization problems with a moderate number of design variables. This paper extends this scheme to allow solution refining. In particular, we introduce a reduced Hessian refining technique that is critical for making a smooth transition of the Hessian information from coarse grids to fine grids. Test results on a nozzle design using quasi-one-dimensional Euler equations show that through solution refining the efficiency and the robustness of the all-at-once reduced Hessian SQP scheme are significantly improved.

Refined numerical solution of the transonic flow past a wedge

NASA Technical Reports Server (NTRS)

Liang, S.-M.; Fung, K.-Y.

1985-01-01

A numerical procedure combining the ideas of solving a modified difference equation and of adaptive mesh refinement is introduced. The numerical solution on a fixed grid is improved by using better approximations of the truncation error computed from local subdomain grid refinements. This technique is used to obtain refined solutions of steady, inviscid, transonic flow past a wedge. The effects of truncation error on the pressure distribution, wave drag, sonic line, and shock position are investigated. By comparing the pressure drag on the wedge and wave drag due to the shocks, a supersonic-to-supersonic shock originating from the wedge shoulder is confirmed.

A refined ecological risk assessment for California red-legged frog, Delta smelt, and California tiger salamander exposed to malathion.

PubMed

Clemow, Yvonne H; Manning, Gillian E; Breton, Roger L; Winchell, Michael F; Padilla, Lauren; Rodney, Sara I; Hanzas, John P; Estes, Tammara L; Budreski, Katherine; Toth, Brent N; Hill, Katie L; Priest, Colleen D; Teed, R Scott; Knopper, Loren D; Moore, Dwayne Rj; Stone, Christopher T; Whatling, Paul

2018-03-01

The California red-legged frog (CRLF), Delta smelt (DS), and California tiger salamander (CTS) are 3 species listed under the United States Federal Endangered Species Act (ESA), all of which inhabit aquatic ecosystems in California. The US Environmental Protection Agency (USEPA) has conducted deterministic screening-level risk assessments for these species potentially exposed to malathion, an organophosphorus insecticide and acaricide. Results from our screening-level analyses identified potential risk of direct effects to DS as well as indirect effects to all 3 species via reduction in prey. Accordingly, for those species and scenarios in which risk was identified at the screening level, we conducted a refined probabilistic risk assessment for CRLF, DS, and CTS. The refined ecological risk assessment (ERA) was conducted using best available data and approaches, as recommended by the 2013 National Research Council (NRC) report "Assessing Risks to Endangered and Threatened Species from Pesticides." Refined aquatic exposure models including the Pesticide Root Zone Model (PRZM), the Vegetative Filter Strip Modeling System (VFSMOD), the Variable Volume Water Model (VVWM), the Exposure Analysis Modeling System (EXAMS), and the Soil and Water Assessment Tool (SWAT) were used to generate estimated exposure concentrations (EECs) for malathion based on worst-case scenarios in California. Refined effects analyses involved developing concentration-response curves for fish and species sensitivity distributions (SSDs) for fish and aquatic invertebrates. Quantitative risk curves, field and mesocosm studies, surface-water monitoring data, and incident reports were considered in a weight-of-evidence approach. Currently, labeled uses of malathion are not expected to result in direct effects to CRLF, DS or CTS, or indirect effects due to effects on fish and invertebrate prey. Integr Environ Assess Manag 2018;14:224-239. © 2017 The Authors. Integrated Environmental Assessment and

Evaluation of deep vadose zone contaminant flux into groundwater: Approach and case study.

PubMed

Oostrom, M; Truex, M J; Last, G V; Strickland, C E; Tartakovsky, G D

2016-06-01

For sites with a contaminant source located in the vadose zone, the nature and extent of groundwater contaminant plumes are a function of the contaminant flux from the vadose zone to groundwater. Especially for thick vadose zones, transport may be relatively slow making it difficult to directly measure contaminant flux. An integrated assessment approach, supported by site characterization and monitoring data, is presented to explain current vadose zone contaminant distributions and to estimate future contaminant flux to groundwater in support of remediation decisions. The U.S. Department of Energy Hanford Site (WA, USA) SX Tank Farm was used as a case study because of a large existing contaminant inventory in its deep vadose zone, the presence of a limited-extent groundwater plume, and the relatively large amount of available data for the site. A predictive quantitative analysis was applied to refine a baseline conceptual model through the completion of a series of targeted simulations. The analysis revealed that site recharge is the most important flux-controlling process for future contaminant flux. Tank leak characteristics and subsurface heterogeneities appear to have a limited effect on long-term contaminant flux into groundwater. The occurrence of the current technetium-99 groundwater plume was explained by taking into account a considerable historical water-line leak adjacent to one of the tanks. The analysis further indicates that the vast majority of technetium-99 is expected to migrate into the groundwater during the next century. The approach provides a template for use in evaluating contaminant flux to groundwater using existing site data and has elements that are relevant to other disposal sites with a thick vadose zone. Copyright © 2016 Elsevier B.V. All rights reserved.

Assume-Guarantee Abstraction Refinement Meets Hybrid Systems

NASA Technical Reports Server (NTRS)

Bogomolov, Sergiy; Frehse, Goran; Greitschus, Marius; Grosu, Radu; Pasareanu, Corina S.; Podelski, Andreas; Strump, Thomas

2014-01-01

Compositional verification techniques in the assume- guarantee style have been successfully applied to transition systems to efficiently reduce the search space by leveraging the compositional nature of the systems under consideration. We adapt these techniques to the domain of hybrid systems with affine dynamics. To build assumptions we introduce an abstraction based on location merging. We integrate the assume-guarantee style analysis with automatic abstraction refinement. We have implemented our approach in the symbolic hybrid model checker SpaceEx. The evaluation shows its practical potential. To the best of our knowledge, this is the first work combining assume-guarantee reasoning with automatic abstraction-refinement in the context of hybrid automata.

Diffraction-geometry refinement in the DIALS framework

DOE PAGES

Waterman, David G.; Winter, Graeme; Gildea, Richard J.; ...

2016-03-30

Rapid data collection and modern computing resources provide the opportunity to revisit the task of optimizing the model of diffraction geometry prior to integration. A comprehensive description is given of new software that builds upon established methods by performing a single global refinement procedure, utilizing a smoothly varying model of the crystal lattice where appropriate. This global refinement technique extends to multiple data sets, providing useful constraints to handle the problem of correlated parameters, particularly for small wedges of data. Examples of advanced uses of the software are given and the design is explained in detail, with particular emphasis onmore » the flexibility and extensibility it entails.« less

Macromolecular refinement by model morphing using non-atomic parameterizations.

PubMed

Cowtan, Kevin; Agirre, Jon

2018-02-01

Refinement is a critical step in the determination of a model which explains the crystallographic observations and thus best accounts for the missing phase components. The scattering density is usually described in terms of atomic parameters; however, in macromolecular crystallography the resolution of the data is generally insufficient to determine the values of these parameters for individual atoms. Stereochemical and geometric restraints are used to provide additional information, but produce interrelationships between parameters which slow convergence, resulting in longer refinement times. An alternative approach is proposed in which parameters are not attached to atoms, but to regions of the electron-density map. These parameters can move the density or change the local temperature factor to better explain the structure factors. Varying the size of the region which determines the parameters at a particular position in the map allows the method to be applied at different resolutions without the use of restraints. Potential applications include initial refinement of molecular-replacement models with domain motions, and potentially the use of electron density from other sources such as electron cryo-microscopy (cryo-EM) as the refinement model.

40 CFR 421.50 - Applicability: Description of the primary electrolytic copper refining subcategory.

Code of Federal Regulations, 2011 CFR

2011-07-01

... primary electrolytic copper refining subcategory. 421.50 Section 421.50 Protection of Environment... POINT SOURCE CATEGORY Primary Electrolytic Copper Refining Subcategory § 421.50 Applicability: Description of the primary electrolytic copper refining subcategory. The provisions of this subpart apply to...

40 CFR 421.50 - Applicability: Description of the primary electrolytic copper refining subcategory.

Code of Federal Regulations, 2010 CFR

2010-07-01

... primary electrolytic copper refining subcategory. 421.50 Section 421.50 Protection of Environment... POINT SOURCE CATEGORY Primary Electrolytic Copper Refining Subcategory § 421.50 Applicability: Description of the primary electrolytic copper refining subcategory. The provisions of this subpart apply to...

History of late Holocene earthquakes at the Willow Creek site on the Nephi segment, Wasatch fault zone, Utah

USGS Publications Warehouse

Crone, Anthony J.; Personius, Stephen F.; Duross, Christopher; Machette, Michael N.; Mahan, Shannon

2014-01-01

This 43-page report presents new data from the Willow Creek site that provides well-defined and narrow bounds on the times of the three youngest earthquakes on the southern strand of the Nephi segment, Wasatch Fault zone, and refines the time of the youngest earthquake to about 200 years ago. This is the youngest surface rupture on the entire Wasatch fault zone, which occurred about a century or less before European settles arrived in Utah. Two trenches at the Willow Creek site exposed three scarp-derived colluvial wedges that are evidence of three paleoearthquakes. OxCal modeling of ages from Willow Creek indicate that paleoearthquake WC1 occurred at 0.2 ± 0.1 ka, WC2 occurred at 1.2 ± 0.1 ka, and WC3 occurred at 1.9 ± 0.6 ka. Stratigraphic constraints on the time of paleoearthquake WC4 are extremely poor, so OxCal modeling only yields a broadly constrained age of 4.7 ± 1.8 ka. Results from the Willow Creek site significantly refine the times of late Holocene earthquakes on the Southern strand of the Nephi segment, and this result, when combined with a reanalysis of the stratigraphic and chronologic information from previous investigations at North Creek and Red Canyon, yield a stronger basis of correlating individual earthquakes between all three sites.

Origin of the Louisville Ridge and its relationship to the Eltanin Fracture Zone System

NASA Astrophysics Data System (ADS)

Watts, A. B.; Weissel, J. K.; Duncan, R. A.; Larson, R. L.

1988-04-01

We have combined shipboard and Seasat altimeter derived data in an intergrated geological and geophysical study of the Louisville Ridge; a 3500-km-long seamount chain extending from the Tonga trench to the Eltanin Fracture Zone. A break in the smooth trend of the ridge at latitude 37.5°S has been recognized in both bathymetric and altimetric data. The 40Ar-39Ar dating of rocks dredged either side of the break suggest that it is analogous to the bend in the Hawaiian-Emperor seamount chain. Although the general trend of the ridge can be fit by small circles about Pacific absolute motion poles determined from other seamount chains, the new bathymetric and age data allow us to refine Pacific absolute motion poles. The continuity in smooth trend of the ridge and the Eltanin Fracture Zone suggests some relationship between them. However, a major offset developed on this transform between 60 and 80 Ma, prior to the oldest dated rocks from the ridge. Although magmatism was more or less continuous on the ridge during 28-60 Ma, it probably occurred on crust with little or no offset. Thus magmatism appears to have been little influenced by the developing fracture zone. By 28 Ma, the distance between the magmatic source and the fracture zone had decreased sufficiently for a portion of the ridge to have been emplaced on crust with an offset. After about 12 Ma, however, volcanic activity on the Louisville Ridge apparently waned, despite a possible influence on the magmatism of the fracture zone.

40 CFR 409.30 - Applicability; description of the liquid cane sugar refining subcategory.

Code of Federal Regulations, 2014 CFR

2014-07-01

... liquid cane sugar refining subcategory. 409.30 Section 409.30 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES AND STANDARDS SUGAR PROCESSING POINT SOURCE CATEGORY Liquid Cane Sugar Refining Subcategory § 409.30 Applicability; description of the liquid cane sugar refining...

40 CFR 409.30 - Applicability; description of the liquid cane sugar refining subcategory.

Code of Federal Regulations, 2013 CFR

2013-07-01

... liquid cane sugar refining subcategory. 409.30 Section 409.30 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES AND STANDARDS SUGAR PROCESSING POINT SOURCE CATEGORY Liquid Cane Sugar Refining Subcategory § 409.30 Applicability; description of the liquid cane sugar refining...

40 CFR 409.30 - Applicability; description of the liquid cane sugar refining subcategory.

Code of Federal Regulations, 2012 CFR

2012-07-01

... liquid cane sugar refining subcategory. 409.30 Section 409.30 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES AND STANDARDS SUGAR PROCESSING POINT SOURCE CATEGORY Liquid Cane Sugar Refining Subcategory § 409.30 Applicability; description of the liquid cane sugar refining...

40 CFR 409.30 - Applicability; description of the liquid cane sugar refining subcategory.

Code of Federal Regulations, 2011 CFR

2011-07-01

... liquid cane sugar refining subcategory. 409.30 Section 409.30 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES AND STANDARDS SUGAR PROCESSING POINT SOURCE CATEGORY Liquid Cane Sugar Refining Subcategory § 409.30 Applicability; description of the liquid cane sugar refining...

40 CFR 409.30 - Applicability; description of the liquid cane sugar refining subcategory.

Code of Federal Regulations, 2010 CFR

2010-07-01

... liquid cane sugar refining subcategory. 409.30 Section 409.30 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES AND STANDARDS SUGAR PROCESSING POINT SOURCE CATEGORY Liquid Cane Sugar Refining Subcategory § 409.30 Applicability; description of the liquid cane sugar refining...

Geophysical-geological studies of possible extensions of the New Madrid Fault Zone. Annual report, 1982. Vol. 1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hinze, W.J.; Braile, L.W.; Keller, G.R.

1983-05-01

An integrated geophysical/geologic program is being conducted to evaluate the rift complex hypothesis as an explanation for the earthquake activity in the New Madrid Seismic Zone and its extensions, to refine our knowledge of the rift complex, and to investigate the possible northern extensions of the New Madrid Fault Zone, especially its possible connection to the Anna, Ohio seismogenic region. Drillhole basement lithologies are being investigated to aid in tectonic analysis and geophysical interpretation, particularly in the Anna, Ohio area. Gravity and magnetic modeling combined with limited seismic reflection studies in southwest Indiana are interpreted as confirming speculation that anmore » arm of the New Madrid Rift Complex extends northeasterly into Indiana. The geologic and geophysical evidence confirm that the basement lithology in the Anna, Ohio area is highly variable reflecting a complex geologic history. The data indicate that as many as three major Late Precambrian tectonic features intersect within the basement of the Anna area suggesting that the seismicity may be related to basement zones of weakness.« less

Refining mass formulas for astrophysical applications: A Bayesian neural network approach

NASA Astrophysics Data System (ADS)

Utama, R.; Piekarewicz, J.

2017-10-01

Background: Exotic nuclei, particularly those near the drip lines, are at the core of one of the fundamental questions driving nuclear structure and astrophysics today: What are the limits of nuclear binding? Exotic nuclei play a critical role in both informing theoretical models as well as in our understanding of the origin of the heavy elements. Purpose: Our aim is to refine existing mass models through the training of an artificial neural network that will mitigate the large model discrepancies far away from stability. Methods: The basic paradigm of our two-pronged approach is an existing mass model that captures as much as possible of the underlying physics followed by the implementation of a Bayesian neural network (BNN) refinement to account for the missing physics. Bayesian inference is employed to determine the parameters of the neural network so that model predictions may be accompanied by theoretical uncertainties. Results: Despite the undeniable quality of the mass models adopted in this work, we observe a significant improvement (of about 40%) after the BNN refinement is implemented. Indeed, in the specific case of the Duflo-Zuker mass formula, we find that the rms deviation relative to experiment is reduced from σrms=0.503 MeV to σrms=0.286 MeV. These newly refined mass tables are used to map the neutron drip lines (or rather "drip bands") and to study a few critical r -process nuclei. Conclusions: The BNN approach is highly successful in refining the predictions of existing mass models. In particular, the large discrepancy displayed by the original "bare" models in regions where experimental data are unavailable is considerably quenched after the BNN refinement. This lends credence to our approach and has motivated us to publish refined mass tables that we trust will be helpful for future astrophysical applications.

Impact of Environmental Compliance Costs on U.S. Refining Profitability 1995-2001

EIA Publications

2003-01-01

This report assesses the effects of pollution abatement requirements on the financial performance of U.S. petroleum refining and marketing operations during the 1995 to 2001 period. This study is a follow-up to the October 1997 publication entitled The Impact of Environmental Compliance Costs on U.S. Refining Profitability, that focused on the financial impacts of U.S. refining pollution abatement investment requirements in the 1988 to1995 period.

19 CFR 19.18 - Smelting and refining; allowance for wastage; withdrawal for consumption.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 19 Customs Duties 1 2010-04-01 2010-04-01 false Smelting and refining; allowance for wastage... OF MERCHANDISE THEREIN Smelting and Refining Warehouses § 19.18 Smelting and refining; allowance for... liquidation of the entry for losses on copper, lead, and zinc content of metal-bearing materials, pursuant to...

19 CFR 19.18 - Smelting and refining; allowance for wastage; withdrawal for consumption.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 19 Customs Duties 1 2011-04-01 2011-04-01 false Smelting and refining; allowance for wastage... OF MERCHANDISE THEREIN Smelting and Refining Warehouses § 19.18 Smelting and refining; allowance for... liquidation of the entry for losses on copper, lead, and zinc content of metal-bearing materials, pursuant to...

Adaptive Grid Refinement for Atmospheric Boundary Layer Simulations

NASA Astrophysics Data System (ADS)

van Hooft, Antoon; van Heerwaarden, Chiel; Popinet, Stephane; van der linden, Steven; de Roode, Stephan; van de Wiel, Bas

2017-04-01

We validate and benchmark an adaptive mesh refinement (AMR) algorithm for numerical simulations of the atmospheric boundary layer (ABL). The AMR technique aims to distribute the computational resources efficiently over a domain by refining and coarsening the numerical grid locally and in time. This can be beneficial for studying cases in which length scales vary significantly in time and space. We present the results for a case describing the growth and decay of a convective boundary layer. The AMR results are benchmarked against two runs using a fixed, fine meshed grid. First, with the same numerical formulation as the AMR-code and second, with a code dedicated to ABL studies. Compared to the fixed and isotropic grid runs, the AMR algorithm can coarsen and refine the grid such that accurate results are obtained whilst using only a fraction of the grid cells. Performance wise, the AMR run was cheaper than the fixed and isotropic grid run with similar numerical formulations. However, for this specific case, the dedicated code outperformed both aforementioned runs.

Presence of Tungsten-Containing Fibers in Tungsten Refining and Manufacturing Processes

PubMed Central

Mckernan, John L.; Toraason, Mark A.; Fernback, Joseph E.; Petersen, Martin R.

2009-01-01

In tungsten refining and manufacturing processes, a series of tungsten oxides are typically formed as intermediates in the production of tungsten powder. The present study was conducted to characterize airborne tungsten-containing fiber dimensions, elemental composition and concentrations in the US tungsten refining and manufacturing industry. During the course of normal employee work activities, seven personal breathing zone and 62 area air samples were collected and analyzed using National Institute for Occupational Safety and Health (NIOSH) fiber sampling and counting methods to determine dimensions, composition and airborne concentrations of fibers. Mixed models were used to identify relationships between potential determinants and airborne fiber concentrations. Results from transmission electron microscopy analyses indicated that airborne fibers with length >0.5 μm, diameter >0.01 μm and aspect ratios ≥3:1 were present on 35 of the 69 air samples collected. Overall, the airborne fibers detected had a geometric mean length ≈3 μm and diameter ≈0.3 μm. Ninety-seven percent of the airborne fibers identified were in the thoracic fraction (i.e. aerodynamic diameter ≤ 10 μm). Energy dispersive X-ray spectrometry results indicated that airborne fibers prior to the carburization process consisted primarily of tungsten and oxygen, with other elements being detected in trace quantities. Based on NIOSH fiber counting ‘B’ rules (length > 5 μm, diameter < 3 μm and aspect ratio ≥ 5:1), airborne fiber concentrations ranged from below the limit of detection to 0.085 fibers cm−3, with calcining being associated with the highest airborne concentrations. The mixed model procedure indicated that process temperature had a marginally significant relationship to airborne fiber concentration. This finding was expected since heated processes such as calcining created the highest airborne fiber concentrations. The finding of airborne tungsten-containing fibers in

Process for solvent refining of coal using a denitrogenated and dephenolated solvent

DOEpatents

Garg, Diwakar; Givens, Edwin N.; Schweighardt, Frank K.

1984-01-01

A process is disclosed for the solvent refining of non-anthracitic coal at elevated temperatures and pressure in a hydrogen atmosphere using a hydrocarbon solvent which before being recycled in the solvent refining process is subjected to chemical treatment to extract substantially all nitrogenous and phenolic constituents from the solvent so as to improve the conversion of coal and the production of oil in the solvent refining process. The solvent refining process can be either thermal or catalytic. The extraction of nitrogenous compounds can be performed by acid contact such as hydrogen chloride or fluoride treatment, while phenolic extraction can be performed by caustic contact or contact with a mixture of silica and alumina.

Dinosaurs can fly -- High performance refining

DOE Office of Scientific and Technical Information (OSTI.GOV)

Treat, J.E.

1995-09-01

High performance refining requires that one develop a winning strategy based on a clear understanding of one`s position in one`s company`s value chain; one`s competitive position in the products markets one serves; and the most likely drivers and direction of future market forces. The author discussed all three points, then described measuring performance of the company. To become a true high performance refiner often involves redesigning the organization as well as the business processes. The author discusses such redesigning. The paper summarizes ten rules to follow to achieve high performance: listen to the market; optimize; organize around asset or areamore » teams; trust the operators; stay flexible; source strategically; all maintenance is not equal; energy is not free; build project discipline; and measure and reward performance. The paper then discusses the constraints to the implementation of change.« less

Protective Effects of Fetal Zone Steroids Are Comparable to Estradiol in Hyperoxia-Induced Cell Death of Immature Glia.

PubMed

Hübner, Stephanie; Sunny, Donna E; Pöhlke, Christine; Ruhnau, Johanna; Vogelgesang, Antje; Reich, Bettina; Heckmann, Matthias

2017-05-01

Impaired neurodevelopment in preterm infants is caused by prematurity itself; however, hypoxia/ischemia, inflammation, and hyperoxia contribute to the extent of impairment. Because preterm birth is accompanied by a dramatic decrease in 17β-estradiol (E2) and progesterone, preliminary clinical studies have been carried out to substitute these steroids in preterm infants; however, they failed to confirm significantly improved neurologic outcomes. We therefore hypothesized that the persistently high postnatal production of fetal zone steroids [mainly dehydroepiandrosterone (DHEA)] until term could interfere with E2-mediated protection. We investigated whether E2 could reduce hyperoxia-mediated apoptosis in three immature glial cell types and detected the involved receptors. Thereafter, we investigated protection by the fetal zone steroids DHEA, 16α-hydroxy-DHEA, and androstenediol. For DHEA, the involved receptors were evaluated. We examined aromatases, which convert fetal zone steroids into more estrogenic compounds. Finally, cotreatment was compared against single hormone treatment to investigate synergism. In all cell types, E2 and fetal zone steroids resulted in significant dose-dependent protection, whereas the mediating receptors differed. The neuroprotection by fetal zone steroids highly depended on the cell type-specific expression of aromatases, the receptor repertoire, and the potency of the fetal zone steroids toward these receptors. No synergism in fetal zone steroid and E2 cotreatment was detected in two of three cell types. Therefore, E2 supplementation may not be beneficial with respect to neuroprotection because fetal zone steroids circulate in persistently high concentrations until term in preterm infants. Hence, a refined experimental model for preterm infants is required to investigate potential treatments. Copyright © 2017 Endocrine Society.

Assessing food allergy risks from residual peanut protein in highly refined vegetable oil.

PubMed

Blom, W Marty; Kruizinga, Astrid G; Rubingh, Carina M; Remington, Ben C; Crevel, René W R; Houben, Geert F

2017-08-01

Refined vegetable oils including refined peanut oil are widely used in foods. Due to shared production processes, refined non-peanut vegetable oils can contain residual peanut proteins. We estimated the predicted number of allergic reactions to residual peanut proteins using probabilistic risk assessment applied to several scenarios involving food products made with vegetable oils. Variables considered were: a) the estimated production scale of refined peanut oil, b) estimated cross-contact between refined vegetable oils during production, c) the proportion of fat in representative food products and d) the peanut protein concentration in refined peanut oil. For all products examined the predicted risk of objective allergic reactions in peanut-allergic users of the food products was extremely low. The number of predicted reactions ranged depending on the model from a high of 3 per 1000 eating occasions (Weibull) to no reactions (LogNormal). Significantly, all reactions were predicted for allergen intakes well below the amounts reported for the most sensitive individual described in the clinical literature. We conclude that the health risk from cross-contact between vegetable oils and refined peanut oil is negligible. None of the food products would warrant precautionary labelling for peanut according to the VITAL ® programme of the Allergen Bureau. Copyright © 2017 Elsevier Ltd. All rights reserved.

Refinement of the ICRF

NASA Technical Reports Server (NTRS)

Ma, Chopo

2004-01-01

Since the ICRF was generated in 1995, VLBI modeling and estimation, data quality: source position stability analysis, and supporting observational programs have improved markedly. There are developing and potential applications in the areas of space navigation Earth orientation monitoring and optical astrometry from space that would benefit from a refined ICRF with enhanced accuracy, stability and spatial distribution. The convergence of analysis, focused observations, and astrometric needs should drive the production of a new realization in the next few years.

GRAIN REFINEMENT OF URANIUM BILLETS

DOEpatents

Lewis, L.

1964-02-25

A method of refining the grain structure of massive uranium billets without resort to forging is described. The method consists in the steps of beta- quenching the billets, annealing the quenched billets in the upper alpha temperature range, and extrusion upset of the billets to an extent sufficient to increase the cross sectional area by at least 5 per cent. (AEC)

NMRe: a web server for NMR protein structure refinement with high-quality structure validation scores.

PubMed

Ryu, Hyojung; Lim, GyuTae; Sung, Bong Hyun; Lee, Jinhyuk

2016-02-15

Protein structure refinement is a necessary step for the study of protein function. In particular, some nuclear magnetic resonance (NMR) structures are of lower quality than X-ray crystallographic structures. Here, we present NMRe, a web-based server for NMR structure refinement. The previously developed knowledge-based energy function STAP (Statistical Torsion Angle Potential) was used for NMRe refinement. With STAP, NMRe provides two refinement protocols using two types of distance restraints. If a user provides NOE (Nuclear Overhauser Effect) data, the refinement is performed with the NOE distance restraints as a conventional NMR structure refinement. Additionally, NMRe generates NOE-like distance restraints based on the inter-hydrogen distances derived from the input structure. The efficiency of NMRe refinement was validated on 20 NMR structures. Most of the quality assessment scores of the refined NMR structures were better than those of the original structures. The refinement results are provided as a three-dimensional structure view, a secondary structure scheme, and numerical and graphical structure validation scores. NMRe is available at http://psb.kobic.re.kr/nmre/. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Reducing PEC uncertainty in coastal zones: a case study on carbamazepine, oxcarbazepine and their metabolites.

PubMed

Fenet, Hélène; Arpin-Pont, Lauren; Vanhoutte-Brunier, Alice; Munaron, Dominique; Fiandrino, Annie; Martínez Bueno, Maria-Jesus; Boillot, Clotilde; Casellas, Claude; Mathieu, Olivier; Gomez, Elena

2014-07-01

Concentrations of the antiepileptic drugs carbamazepine (Cbz), oxcarbazepine (OxCz) and their main metabolites were predicted in a wastewater treatment plant (WTP) and in the vicinity of its submarine outfall located in a Mediterranean coastal zone. Refined predicted environmental concentrations (PECs) were calculated in effluents based on consumption data and human excretion rates. PECs were estimated in the sea using the hydrodynamic MARS 3D model integrating meteorological data, oceanic conditions (wind, tide, atmospheric pressure), freshwater and sewage inputs. Measured environmental concentrations (MECs) were compared to PECs to assess the estimation relevance. In the coastal zone, PEC and MEC were in the same magnitude range. Modeling of Cbz diffusion and advection just above the submarine outfall showed the influence of the thermocline during summer, with low diffusion of Cbz from the bottom to the surface. This work allowed understanding the dispersion of target compounds and deserved further development for a better acknowledgement of vulnerability at local scales. Copyright © 2014 Elsevier Ltd. All rights reserved.

A refined definition improves the measurement reliability of the tip-apex distance.

PubMed

Sakagoshi, Daigo; Sawaguchi, Takeshi; Shima, Yosuke; Inoue, Daisuke; Oshima, Takeshi; Goldhahn, Sabine

2016-07-01

Tip-apex distance (TAD) is reported as a good predictor for cut-outs of lag screws and spiral blades in the treatment of intertrochanteric fractures, and surgeons are advised to strive for TAD within 20 mm. However, the femoral neck axis and the position of the lower limb in the lateral radiograph are not clearly defined and can lead to measurement errors. We propose a refined TAD by defining these factors. The objective of this study was to analyze the reliability of this refined TAD. The radiographs of 130 prospective cases with unstable trochanteric fractures were used for the analysis of the refined TAD. The refined TAD was independently measured by 2 raters with clinical experience of more than 10 years (rater 1, 2) and 2 raters with much less clinical experience (rater 3, 4) after they received a training about the new measurement method. Intraclass correlation coefficient (ICC [2,4]) was calculated to assess the interrater reliability. The mean refined TADs were 18.2:18.4:18.2:18.2 mm for rater 1:2:3:4. There was a strong correlation among all four raters (ICC 0.998, (95% CI: 0.998, 0.999). Regardless of the clinical experience of raters, the refined TAD is a reliable tool and can be used to develop new TAD recommendations for predicting failure of fixation. Future studies with larger samples are needed to evaluate the predictive value of the refined TAD. Copyright © 2016 The Japanese Orthopaedic Association. Published by Elsevier B.V. All rights reserved.

US refining sector still a whipping-boy: what will it take

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1988-01-27

The fast moving US product markets are exerting a powerful pull on crude oil prices. This has meant unalleviated downward pressure on refining margins for most of the past year. Downstream of refining, product marketers want the lower rack and spot prices from refineries. Upstream, independent and major-integrated producers want the highest crude prices they can obtain, with the latter producers also wanting the highest product value realizations. Refiners, especially the major-integrated ones, are rooting for OPEC discipline louder than anybody else. This issue also contains the following: (1) weighted dollar values by product for total product barrel at variousmore » sites around the globe; (2) ED refining netback data for the US Gulf and West Coasts, Rotterdam, and Singapore for late January 1988; and (3) ED fuel price/tax series for both the Western and Eastern Hemispheres, Jan. 1988 edition. 5 figures, 18 tables.« less

Profex: a graphical user interface for the Rietveld refinement program BGMN.

PubMed

Doebelin, Nicola; Kleeberg, Reinhard

2015-10-01

Profex is a graphical user interface for the Rietveld refinement program BGMN . Its interface focuses on preserving BGMN 's powerful and flexible scripting features by giving direct access to BGMN input files. Very efficient workflows for single or batch refinements are achieved by managing refinement control files and structure files, by providing dialogues and shortcuts for many operations, by performing operations in the background, and by providing import filters for CIF and XML crystal structure files. Refinement results can be easily exported for further processing. State-of-the-art graphical export of diffraction patterns to pixel and vector graphics formats allows the creation of publication-quality graphs with minimum effort. Profex reads and converts a variety of proprietary raw data formats and is thus largely instrument independent. Profex and BGMN are available under an open-source license for Windows, Linux and OS X operating systems.

Profex: a graphical user interface for the Rietveld refinement program BGMN

PubMed Central

Doebelin, Nicola; Kleeberg, Reinhard

2015-01-01

Profex is a graphical user interface for the Rietveld refinement program BGMN. Its interface focuses on preserving BGMN’s powerful and flexible scripting features by giving direct access to BGMN input files. Very efficient workflows for single or batch refinements are achieved by managing refinement control files and structure files, by providing dialogues and shortcuts for many operations, by performing operations in the background, and by providing import filters for CIF and XML crystal structure files. Refinement results can be easily exported for further processing. State-of-the-art graphical export of diffraction patterns to pixel and vector graphics formats allows the creation of publication-quality graphs with minimum effort. Profex reads and converts a variety of proprietary raw data formats and is thus largely instrument independent. Profex and BGMN are available under an open-source license for Windows, Linux and OS X operating systems. PMID:26500466

The indirect electrochemical refining of lunar ores

NASA Technical Reports Server (NTRS)

Semkow, Krystyna W.; Sammells, Anthony F.

1987-01-01

Recent work performed on an electrolytic cell is reported which addresses the implicit limitations in various approaches to refining lunar ores. The cell uses an oxygen vacancy conducting stabilized zirconia solid electrolyte to effect separation between a molten salt catholyte compartment where alkali metals are deposited, and an oxygen-evolving anode of composition La(0.89)Sr(0.1)MnO3. The cell configuration is shown and discussed along with a polarization curve and a steady-state current-voltage curve. In a practical cell, cathodically deposited liquid lithium would be continuously removed from the electrolytic cell and used as a valuable reducing agent for ore refining under lunar conditions. Oxygen would be indirectly electrochemically extracted from lunar ores for breathing purposes.

Gross wood characteristics affecting properties of handsheets made from loblolly pine refiner groundwood

Treesearch

Charles W. McMillin

1968-01-01

Specific refining energy and gross wood properties accounted for as much as 90% of the total variation in strength of handsheets made from 96 pulps disk-refined from chips of varying characteristics. Burst, tear, and breaking length were increased by applying high specific refining energy and using fast-grown wood of high latewood content but of relatively low density...

Vadose zone microbiology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kieft, Thomas L.; Brockman, Fred J.

2001-01-17

The vadose zone is defined as the portion of the terrestrial subsurface that extends from the land surface downward to the water table. As such, it comprises the surface soil (the rooting zone), the underlying subsoil, and the capillary fringe that directly overlies the water table. The unsaturated zone between the rooting zone and the capillary fringe is termed the "intermediate zone" (Chapelle, 1993). The vadose zone has also been defined as the unsaturated zone, since the sediment pores and/or rock fractures are generally not completely water filled, but instead contain both water and air. The latter characteristic results inmore » the term "zone of aeration" to describe the vadose zone. The terms "vadose zone," "unsaturated zone", and "zone of aeration" are nearly synonymous, except that the vadose zone may contain regions of perched water that are actually saturated. The term "subsoil" has also been used for studies of shallow areas of the subsurface immediately below the rooting zone. This review focuses almost exclusively on the unsaturated region beneath the soil layer since there is already an extensive body of literature on surface soil microbial communities and process, e.g., Paul and Clark (1989), Metting (1993), Richter and Markowitz, (1995), and Sylvia et al. (1998); whereas the deeper strata of the unsaturated zone have only recently come under scrutiny for their microbiological properties.« less

A new adaptive mesh refinement strategy for numerically solving evolutionary PDE's

NASA Astrophysics Data System (ADS)

Burgarelli, Denise; Kischinhevsky, Mauricio; Biezuner, Rodney Josue

2006-11-01

A graph-based implementation of quadtree meshes for dealing with adaptive mesh refinement (AMR) in the numerical solution of evolutionary partial differential equations is discussed using finite volume methods. The technique displays a plug-in feature that allows replacement of a group of cells in any region of interest for another one with arbitrary refinement, and with only local changes occurring in the data structure. The data structure is also specially designed to minimize the number of operations needed in the AMR. Implementation of the new scheme allows flexibility in the levels of refinement of adjacent regions. Moreover, storage requirements and computational cost compare competitively with mesh refinement schemes based on hierarchical trees. Low storage is achieved for only the children nodes are stored when a refinement takes place. These nodes become part of a graph structure, thus motivating the denomination autonomous leaves graph (ALG) for the new scheme. Neighbors can then be reached without accessing their parent nodes. Additionally, linear-system solvers based on the minimization of functionals can be easily employed. ALG was not conceived with any particular problem or geometry in mind and can thus be applied to the study of several phenomena. Some test problems are used to illustrate the effectiveness of the technique.

Microstructures and Grain Refinement of Additive-Manufactured Ti- xW Alloys

NASA Astrophysics Data System (ADS)

Mendoza, Michael Y.; Samimi, Peyman; Brice, David A.; Martin, Brian W.; Rolchigo, Matt R.; LeSar, Richard; Collins, Peter C.

2017-07-01

It is necessary to better understand the composition-processing-microstructure relationships that exist for materials produced by additive manufacturing. To this end, Laser Engineered Net Shaping (LENS™), a type of additive manufacturing, was used to produce a compositionally graded titanium binary model alloy system (Ti- xW specimen (0 ≤ x ≤ 30 wt pct), so that relationships could be made between composition, processing, and the prior beta grain size. Importantly, the thermophysical properties of the Ti- xW, specifically its supercooling parameter ( P) and growth restriction factor ( Q), are such that grain refinement is expected and was observed. The systematic, combinatorial study of this binary system provides an opportunity to assess the mechanisms by which grain refinement occurs in Ti-based alloys in general, and for additive manufacturing in particular. The operating mechanisms that govern the relationship between composition and grain size are interpreted using a model originally developed for aluminum and magnesium alloys and subsequently applied for titanium alloys. The prior beta grain factor observed and the interpretations of their correlations indicate that tungsten is a good grain refiner and such models are valid to explain the grain-refinement process. By extension, other binary elements or higher order alloy systems with similar thermophysical properties should exhibit similar grain refinement.

3Drefine: an interactive web server for efficient protein structure refinement

PubMed Central

Bhattacharya, Debswapna; Nowotny, Jackson; Cao, Renzhi; Cheng, Jianlin

2016-01-01

3Drefine is an interactive web server for consistent and computationally efficient protein structure refinement with the capability to perform web-based statistical and visual analysis. The 3Drefine refinement protocol utilizes iterative optimization of hydrogen bonding network combined with atomic-level energy minimization on the optimized model using a composite physics and knowledge-based force fields for efficient protein structure refinement. The method has been extensively evaluated on blind CASP experiments as well as on large-scale and diverse benchmark datasets and exhibits consistent improvement over the initial structure in both global and local structural quality measures. The 3Drefine web server allows for convenient protein structure refinement through a text or file input submission, email notification, provided example submission and is freely available without any registration requirement. The server also provides comprehensive analysis of submissions through various energy and statistical feedback and interactive visualization of multiple refined models through the JSmol applet that is equipped with numerous protein model analysis tools. The web server has been extensively tested and used by many users. As a result, the 3Drefine web server conveniently provides a useful tool easily accessible to the community. The 3Drefine web server has been made publicly available at the URL: http://sysbio.rnet.missouri.edu/3Drefine/. PMID:27131371

Crystallization in lactose refining-a review.

PubMed

Wong, Shin Yee; Hartel, Richard W

2014-03-01

In the dairy industry, crystallization is an important separation process used in the refining of lactose from whey solutions. In the refining operation, lactose crystals are separated from the whey solution through nucleation, growth, and/or aggregation. The rate of crystallization is determined by the combined effect of crystallizer design, processing parameters, and impurities on the kinetics of the process. This review summarizes studies on lactose crystallization, including the mechanism, theory of crystallization, and the impact of various factors affecting the crystallization kinetics. In addition, an overview of the industrial crystallization operation highlights the problems faced by the lactose manufacturer. The approaches that are beneficial to the lactose manufacturer for process optimization or improvement are summarized in this review. Over the years, much knowledge has been acquired through extensive research. However, the industrial crystallization process is still far from optimized. Therefore, future effort should focus on transferring the new knowledge and technology to the dairy industry. © 2014 Institute of Food Technologists®

40 CFR 80.1603 - Gasoline sulfur standards for refiners and importers.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 17 2014-07-01 2014-07-01 false Gasoline sulfur standards for refiners... (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur § 80.1603 Gasoline sulfur standards for refiners and importers. (a) Sulfur standards—(1) Annual average standard. (i...

Comparison of Antioxidant Properties of Refined and Whole Wheat Flour and Bread

PubMed Central

Yu, Lilei; Nanguet, Anne-Laure; Beta, Trust

2013-01-01

Antioxidant properties of refined and whole wheat flour and their resultant bread were investigated to document the effects of baking. Total phenolic content (TPC), 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity and oxygen radical absorbance capacity (ORAC) were employed to determine the content of ethanol extractable phenolic compounds. HPLC was used to detect the presence of phenolic acids prior to their confirmation using LC-MS/MS. Whole wheat flour showed significantly higher antioxidant activity than refined flour (p < 0.05). There was a significant effect of the bread-making process with the TPC of whole wheat bread (1.50–1.65 mg/g) and white bread (0.79–1.03 mg/g) showing a respective reduction of 28% and 33% of the levels found in whole wheat and refined flour. Similarly, baking decreased DPPH radical scavenging capacity by 32% and 30%. ORAC values, however, indicated that baking increased the antioxidant activities of whole wheat and refined flour by 1.8 and 2.9 times, respectively. HPLC analysis showed an increase of 18% to 35% in ferulic acid after baking to obtain whole and refined wheat bread containing 330.1 and 25.3 µg/g (average), respectively. Whole wheat flour and bread were superior to refined flour and bread in in vitro antioxidant properties. PMID:26784470

Effects of varying refiner pressure on the machanical properties of loblolly pine fibres

Treesearch

Les Groom; Timothy Rials; Rebecca Snell

2000-01-01

Loblolly pine chips, separated into mature and juvenile portions, were refined at three pressures (4, 8, and 12 bar) in a single disc refiner at the BioComposites Centre. Fibres were dried in a flash drier to a moisture content of approximately 12 percent. The mechanical properties of single fibres from each refining pressure were determined using a tensile strength...

Refined carbohydrate intake in relation to non-verbal intelligence among Tehrani schoolchildren.

PubMed

Abargouei, Amin Salehi; Kalantari, Naser; Omidvar, Nasrin; Rashidkhani, Bahram; Rad, Anahita Houshiar; Ebrahimi, Azizeh Afkham; Khosravi-Boroujeni, Hossein; Esmaillzadeh, Ahmad

2012-10-01

Nutrition has long been considered one of the most important environmental factors affecting human intelligence. Although carbohydrates are the most widely studied nutrient for their possible effects on cognition, limited data are available linking usual refined carbohydrate intake and intelligence. The present study was conducted to examine the relationship between long-term refined carbohydrate intake and non-verbal intelligence among schoolchildren. Cross-sectional study. Tehran, Iran. In this cross-sectional study, 245 students aged 6-7 years were selected from 129 elementary schools in two western regions of Tehran. Anthropometric measurements were carried out. Non-verbal intelligence and refined carbohydrate consumption were determined using Raven's Standard Progressive Matrices test and a modified sixty-seven-item FFQ, respectively. Data about potential confounding variables were collected. Linear regression analysis was applied to examine the relationship between non-verbal intelligence scores and refined carbohydrate consumption. Individuals in top tertile of refined carbohydrate intake had lower mean non-verbal intelligence scores in the crude model (P < 0.038). This association remained significant after controlling for age, gender, birth date, birth order and breast-feeding pattern (P = 0.045). However, further adjustments for mother's age, mother's education, father's education, parental occupation and BMI made the association statistically non-significant. We found a significant inverse association between refined carbohydrate consumption and non-verbal intelligence scores in regression models (β = -11.359, P < 0.001). This relationship remained significant in multivariate analysis after controlling for potential confounders (β = -8.495, P = 0.038). The study provides evidence indicating an inverse relationship between refined carbohydrate consumption and non-verbal intelligence among Tehrani children aged 6-7 years. Prospective studies are needed

Validating neural-network refinements of nuclear mass models

NASA Astrophysics Data System (ADS)

Utama, R.; Piekarewicz, J.

2018-01-01

Background: Nuclear astrophysics centers on the role of nuclear physics in the cosmos. In particular, nuclear masses at the limits of stability are critical in the development of stellar structure and the origin of the elements. Purpose: We aim to test and validate the predictions of recently refined nuclear mass models against the newly published AME2016 compilation. Methods: The basic paradigm underlining the recently refined nuclear mass models is based on existing state-of-the-art models that are subsequently refined through the training of an artificial neural network. Bayesian inference is used to determine the parameters of the neural network so that statistical uncertainties are provided for all model predictions. Results: We observe a significant improvement in the Bayesian neural network (BNN) predictions relative to the corresponding "bare" models when compared to the nearly 50 new masses reported in the AME2016 compilation. Further, AME2016 estimates for the handful of impactful isotopes in the determination of r -process abundances are found to be in fairly good agreement with our theoretical predictions. Indeed, the BNN-improved Duflo-Zuker model predicts a root-mean-square deviation relative to experiment of σrms≃400 keV. Conclusions: Given the excellent performance of the BNN refinement in confronting the recently published AME2016 compilation, we are confident of its critical role in our quest for mass models of the highest quality. Moreover, as uncertainty quantification is at the core of the BNN approach, the improved mass models are in a unique position to identify those nuclei that will have the strongest impact in resolving some of the outstanding questions in nuclear astrophysics.

Vanishing Point Extraction and Refinement for Robust Camera Calibration

PubMed Central

Tsai, Fuan

2017-01-01

This paper describes a flexible camera calibration method using refined vanishing points without prior information. Vanishing points are estimated from human-made features like parallel lines and repeated patterns. With the vanishing points extracted from the three mutually orthogonal directions, the interior and exterior orientation parameters can be further calculated using collinearity condition equations. A vanishing point refinement process is proposed to reduce the uncertainty caused by vanishing point localization errors. The fine-tuning algorithm is based on the divergence of grouped feature points projected onto the reference plane, minimizing the standard deviation of each of the grouped collinear points with an O(1) computational complexity. This paper also presents an automated vanishing point estimation approach based on the cascade Hough transform. The experiment results indicate that the vanishing point refinement process can significantly improve camera calibration parameters and the root mean square error (RMSE) of the constructed 3D model can be reduced by about 30%. PMID:29280966

Theory of a refined earth model

NASA Technical Reports Server (NTRS)

Krause, H. G. L.

1968-01-01

Refined equations are derived relating the variations of the earths gravity and radius as functions of longitude and latitude. They particularly relate the oblateness coefficients of the old harmonics and the difference of the polar radii /respectively, ellipticities and polar gravity accelerations/ in the Northern and Southern Hemispheres.

Lymph node detection in IASLC-defined zones on PET/CT images

NASA Astrophysics Data System (ADS)

Song, Yihua; Udupa, Jayaram K.; Odhner, Dewey; Tong, Yubing; Torigian, Drew A.

2016-03-01

Lymph node detection is challenging due to the low contrast between lymph nodes as well as surrounding soft tissues and the variation in nodal size and shape. In this paper, we propose several novel ideas which are combined into a system to operate on positron emission tomography/ computed tomography (PET/CT) images to detect abnormal thoracic nodes. First, our previous Automatic Anatomy Recognition (AAR) approach is modified where lymph node zones predominantly following International Association for the Study of Lung Cancer (IASLC) specifications are modeled as objects arranged in a hierarchy along with key anatomic anchor objects. This fuzzy anatomy model built from diagnostic CT images is then deployed on PET/CT images for automatically recognizing the zones. A novel globular filter (g-filter) to detect blob-like objects over a specified range of sizes is designed to detect the most likely locations and sizes of diseased nodes. Abnormal nodes within each automatically localized zone are subsequently detected via combined use of different items of information at various scales: lymph node zone model poses found at recognition indicating the geographic layout at the global level of node clusters, g-filter response which hones in on and carefully selects node-like globular objects at the node level, and CT and PET gray value but within only the most plausible nodal regions for node presence at the voxel level. The models are built from 25 diagnostic CT scans and refined for an object hierarchy based on a separate set of 20 diagnostic CT scans. Node detection is tested on an additional set of 20 PET/CT scans. Our preliminary results indicate node detection sensitivity and specificity at around 90% and 85%, respectively.

Final Project Report: Imaging Fault Zones Using a Novel Elastic Reverse-Time Migration Imaging Technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Lianjie; Chen, Ting; Tan, Sirui

Imaging fault zones and fractures is crucial for geothermal operators, providing important information for reservoir evaluation and management strategies. However, there are no existing techniques available for directly and clearly imaging fault zones, particularly for steeply dipping faults and fracture zones. In this project, we developed novel acoustic- and elastic-waveform inversion methods for high-resolution velocity model building. In addition, we developed acoustic and elastic reverse-time migration methods for high-resolution subsurface imaging of complex subsurface structures and steeply-dipping fault/fracture zones. We first evaluated and verified the improved capabilities of our newly developed seismic inversion and migration imaging methods using synthetic seismicmore » data. Our numerical tests verified that our new methods directly image subsurface fracture/fault zones using surface seismic reflection data. We then applied our novel seismic inversion and migration imaging methods to a field 3D surface seismic dataset acquired at the Soda Lake geothermal field using Vibroseis sources. Our migration images of the Soda Lake geothermal field obtained using our seismic inversion and migration imaging algorithms revealed several possible fault/fracture zones. AltaRock Energy, Inc. is working with Cyrq Energy, Inc. to refine the geologic interpretation at the Soda Lake geothermal field. Trenton Cladouhos, Senior Vice President R&D of AltaRock, was very interested in our imaging results of 3D surface seismic data from the Soda Lake geothermal field. He planed to perform detailed interpretation of our images in collaboration with James Faulds and Holly McLachlan of University of Nevada at Reno. Using our high-resolution seismic inversion and migration imaging results can help determine the optimal locations to drill wells for geothermal energy production and reduce the risk of geothermal exploration.« less

Safety Zones

EPA Pesticide Factsheets

These are established primarily to reduce the accidental spread of hazardous substances by workers or equipment from contaminated areas to clean areas. They include the exclusion (hot) zone, contamination reduction (warm) zone, and support (cold) zone.

Adult neurogenesis is necessary to refine and maintain circuit specificity.

PubMed

Cummings, Diana M; Snyder, Jason S; Brewer, Michelle; Cameron, Heather A; Belluscio, Leonardo

2014-10-08

The circuitry of the olfactory bulb contains a precise anatomical map that links isofunctional regions within each olfactory bulb. This intrabulbar map forms perinatally and undergoes activity-dependent refinement during the first postnatal weeks. Although this map retains its plasticity throughout adulthood, its organization is remarkably stable despite the addition of millions of new neurons to this circuit. Here we show that the continuous supply of new neuroblasts from the subventricular zone is necessary for both the restoration and maintenance of this precise central circuit. Using pharmacogenetic methods to conditionally ablate adult neurogenesis in transgenic mice, we find that the influx of neuroblasts is required for recovery of intrabulbar map precision after disruption due to sensory block. We further demonstrate that eliminating adult-born interneurons in naive animals leads to an expansion of tufted cell axons that is identical to the changes caused by sensory block, thus revealing an essential role for new neurons in circuit maintenance under baseline conditions. These findings show, for the first time, that inhibiting adult neurogenesis alters the circuitry of projection neurons in brain regions that receive new interneurons and points to a critical role for adult-born neurons in stabilizing a brain circuit that exhibits high levels of plasticity. Copyright © 2014 the authors 0270-6474/14/3413801-10$15.00/0.

76 FR 61472 - Revised Fiscal Year 2011 Tariff-Rate Quota Allocations for Refined Sugar

Federal Register 2010, 2011, 2012, 2013, 2014

2011-10-04

... Allocations for Refined Sugar AGENCY: Office of the United States Trade Representative. ACTION: Notice... (TRQ) for imported refined sugar for entry through November 30, 2011. DATES: Effective Date: October 4... States maintains a tariff-rate quota for imports of refined sugar. Section 404(d)(3) of the Uruguay Round...

Refinement of late-Early and Middle Miocene diatom biostratigraphy for the east coast of the United States

USGS Publications Warehouse

Barron, John A.; Browning, James; Sugarman, Peter; Miller, Kenneth G.

2013-01-01

Integrated Ocean Drilling Program (IODP) Expedition 313 continuously cored Lower to Middle Miocene sequences at three continental shelf sites off New Jersey, USA. The most seaward of these, Site M29, contains a well-preserved Early and Middle Miocene succession of planktonic diatoms that have been independently correlated with the geomagnetic polarity time scale derived in studies from the equatorial and North Pacific. Shallow water diatoms (species of Delphineis, Rhaphoneis, and Sceptroneis) dominate in onshore sequences in Maryland and Virginia, forming the basis for the East Coast Diatom Zones (ECDZ). Integrated study of both planktonic and shallow water diatoms in Hole M29A as well as in onshore sequences in Maryland (the Baltimore Gas and Electric Company well) and Delaware (the Ocean Drilling Program Bethany Beach corehole) allows the refinement of ECDZ zones into a high-resolution biochronology that can be successfully applied in both onshore and offshore regions of the East Coast of the United States. Strontium isotope stratigraphy supports the diatom biochronology, although for much of the Middle Miocene it suggests ages that are on average 0.4 m.y. older. The ECDZ zonal definitions are updated to include evolutionary events of Delphineis species, and regional occurrences of important planktonic diatom marker taxa are included. Updated taxonomy, reference to published figures, and photographic images are provided that will aid in the application of this diatom biostratigraphy.

Structure Refinement of Protein Low Resolution Models Using the GNEIMO Constrained Dynamics Method

PubMed Central

Park, In-Hee; Gangupomu, Vamshi; Wagner, Jeffrey; Jain, Abhinandan; Vaidehi, Nagara-jan

2012-01-01

The challenge in protein structure prediction using homology modeling is the lack of reliable methods to refine the low resolution homology models. Unconstrained all-atom molecular dynamics (MD) does not serve well for structure refinement due to its limited conformational search. We have developed and tested the constrained MD method, based on the Generalized Newton-Euler Inverse Mass Operator (GNEIMO) algorithm for protein structure refinement. In this method, the high-frequency degrees of freedom are replaced with hard holonomic constraints and a protein is modeled as a collection of rigid body clusters connected by flexible torsional hinges. This allows larger integration time steps and enhances the conformational search space. In this work, we have demonstrated the use of a constraint free GNEIMO method for protein structure refinement that starts from low-resolution decoy sets derived from homology methods. In the eight proteins with three decoys for each, we observed an improvement of ~2 Å in the RMSD to the known experimental structures of these proteins. The GNEIMO method also showed enrichment in the population density of native-like conformations. In addition, we demonstrated structural refinement using a “Freeze and Thaw” clustering scheme with the GNEIMO framework as a viable tool for enhancing localized conformational search. We have derived a robust protocol based on the GNEIMO replica exchange method for protein structure refinement that can be readily extended to other proteins and possibly applicable for high throughput protein structure refinement. PMID:22260550

3Drefine: an interactive web server for efficient protein structure refinement.

PubMed

Bhattacharya, Debswapna; Nowotny, Jackson; Cao, Renzhi; Cheng, Jianlin

2016-07-08

3Drefine is an interactive web server for consistent and computationally efficient protein structure refinement with the capability to perform web-based statistical and visual analysis. The 3Drefine refinement protocol utilizes iterative optimization of hydrogen bonding network combined with atomic-level energy minimization on the optimized model using a composite physics and knowledge-based force fields for efficient protein structure refinement. The method has been extensively evaluated on blind CASP experiments as well as on large-scale and diverse benchmark datasets and exhibits consistent improvement over the initial structure in both global and local structural quality measures. The 3Drefine web server allows for convenient protein structure refinement through a text or file input submission, email notification, provided example submission and is freely available without any registration requirement. The server also provides comprehensive analysis of submissions through various energy and statistical feedback and interactive visualization of multiple refined models through the JSmol applet that is equipped with numerous protein model analysis tools. The web server has been extensively tested and used by many users. As a result, the 3Drefine web server conveniently provides a useful tool easily accessible to the community. The 3Drefine web server has been made publicly available at the URL: http://sysbio.rnet.missouri.edu/3Drefine/. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

Developments in Characterizing Capture Zone Distributions in Island Growth

NASA Astrophysics Data System (ADS)

Einstein, T. L.; Pimpinelli, Alberto; GonzáLez, Diego Luis; Sathiyanarayanan, Rajesh

2013-03-01

The utility of using the distribution of capture zones (CZD) to characterize epitaxial growth continues to mount. For non-Poisson deposition (i.e. when island nucleation is not fully random) the areas of these Voronoi cells (proximity polygons) can be well described by the generalized Wigner distribution (GWD), particularly in the central region around the mean area. We discuss several recent applications to experimental systems, showing how this perspective leads to insights about the critical nucleus size. In contrast, several studies have shown that the GWD may not describe the numerical data from painstaking simulations in both tails. We discuss some refinements that have been proposed. Finally, we comment on applications to social phenomena such as area distributions of secondary administrative units (like counties) and of Voronoi cells around Metro stops. Work at UMD supported by NSF-MRSEC Grant DMR 05-20471 and NSF CHE 07-49949

Dynamic particle refinement in SPH: application to free surface flow and non-cohesive soil simulations

NASA Astrophysics Data System (ADS)

Reyes López, Yaidel; Roose, Dirk; Recarey Morfa, Carlos

2013-05-01

In this paper, we present a dynamic refinement algorithm for the smoothed particle Hydrodynamics (SPH) method. An SPH particle is refined by replacing it with smaller daughter particles, which positions are calculated by using a square pattern centered at the position of the refined particle. We determine both the optimal separation and the smoothing distance of the new particles such that the error produced by the refinement in the gradient of the kernel is small and possible numerical instabilities are reduced. We implemented the dynamic refinement procedure into two different models: one for free surface flows, and one for post-failure flow of non-cohesive soil. The results obtained for the test problems indicate that using the dynamic refinement procedure provides a good trade-off between the accuracy and the cost of the simulations.

40 CFR 80.1339 - Who is not eligible for the provisions for small refiners?

Code of Federal Regulations, 2010 CFR

2010-07-01

... eligible for the hardship provisions for small refiners: (a) A refiner with one or more refineries built... employees or crude capacity is due to operational changes at the refinery or a company sale or... refinery processing units. (e)(1) A small refiner approved under § 80.1340 that subsequently ceases...

SFESA: a web server for pairwise alignment refinement by secondary structure shifts.

PubMed

Tong, Jing; Pei, Jimin; Grishin, Nick V

2015-09-03

Protein sequence alignment is essential for a variety of tasks such as homology modeling and active site prediction. Alignment errors remain the main cause of low-quality structure models. A bioinformatics tool to refine alignments is needed to make protein alignments more accurate. We developed the SFESA web server to refine pairwise protein sequence alignments. Compared to the previous version of SFESA, which required a set of 3D coordinates for a protein, the new server will search a sequence database for the closest homolog with an available 3D structure to be used as a template. For each alignment block defined by secondary structure elements in the template, SFESA evaluates alignment variants generated by local shifts and selects the best-scoring alignment variant. A scoring function that combines the sequence score of profile-profile comparison and the structure score of template-derived contact energy is used for evaluation of alignments. PROMALS pairwise alignments refined by SFESA are more accurate than those produced by current advanced alignment methods such as HHpred and CNFpred. In addition, SFESA also improves alignments generated by other software. SFESA is a web-based tool for alignment refinement, designed for researchers to compute, refine, and evaluate pairwise alignments with a combined sequence and structure scoring of alignment blocks. To our knowledge, the SFESA web server is the only tool that refines alignments by evaluating local shifts of secondary structure elements. The SFESA web server is available at http://prodata.swmed.edu/sfesa.

Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration.

PubMed

Fenn, Timothy D; Schnieders, Michael J; Mustyakimov, Marat; Wu, Chuanjie; Langan, Paul; Pande, Vijay S; Brunger, Axel T

2011-04-13

Most current crystallographic structure refinements augment the diffraction data with a priori information consisting of bond, angle, dihedral, planarity restraints, and atomic repulsion based on the Pauli exclusion principle. Yet, electrostatics and van der Waals attraction are physical forces that provide additional a priori information. Here, we assess the inclusion of electrostatics for the force field used for all-atom (including hydrogen) joint neutron/X-ray refinement. Two DNA and a protein crystal structure were refined against joint neutron/X-ray diffraction data sets using force fields without electrostatics or with electrostatics. Hydrogen-bond orientation/geometry favors the inclusion of electrostatics. Refinement of Z-DNA with electrostatics leads to a hypothesis for the entropic stabilization of Z-DNA that may partly explain the thermodynamics of converting the B form of DNA to its Z form. Thus, inclusion of electrostatics assists joint neutron/X-ray refinements, especially for placing and orienting hydrogen atoms. Copyright © 2011 Elsevier Ltd. All rights reserved.

Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Application to Neutron Crystallography and DNA Hydration

PubMed Central

Fenn, Timothy D.; Schnieders, Michael J.; Mustyakimov, Marat; Wu, Chuanjie; Langan, Paul; Pande, Vijay S.; Brunger, Axel T.

2011-01-01

Summary Most current crystallographic structure refinements augment the diffraction data with a priori information consisting of bond, angle, dihedral, planarity restraints and atomic repulsion based on the Pauli exclusion principle. Yet, electrostatics and van der Waals attraction are physical forces that provide additional a priori information. Here we assess the inclusion of electrostatics for the force field used for all-atom (including hydrogen) joint neutron/X-ray refinement. Two DNA and a protein crystal structure were refined against joint neutron/X-ray diffraction data sets using force fields without electrostatics or with electrostatics. Hydrogen bond orientation/geometry favors the inclusion of electrostatics. Refinement of Z-DNA with electrostatics leads to a hypothesis for the entropic stabilization of Z-DNA that may partly explain the thermodynamics of converting the B form of DNA to its Z form. Thus, inclusion of electrostatics assists joint neutron/X-ray refinements, especially for placing and orienting hydrogen atoms. PMID:21481775

Adaptive mesh refinement and load balancing based on multi-level block-structured Cartesian mesh

NASA Astrophysics Data System (ADS)

Misaka, Takashi; Sasaki, Daisuke; Obayashi, Shigeru

2017-11-01

We developed a framework for a distributed-memory parallel computer that enables dynamic data management for adaptive mesh refinement and load balancing. We employed simple data structure of the building cube method (BCM) where a computational domain is divided into multi-level cubic domains and each cube has the same number of grid points inside, realising a multi-level block-structured Cartesian mesh. Solution adaptive mesh refinement, which works efficiently with the help of the dynamic load balancing, was implemented by dividing cubes based on mesh refinement criteria. The framework was investigated with the Laplace equation in terms of adaptive mesh refinement, load balancing and the parallel efficiency. It was then applied to the incompressible Navier-Stokes equations to simulate a turbulent flow around a sphere. We considered wall-adaptive cube refinement where a non-dimensional wall distance y+ near the sphere is used for a criterion of mesh refinement. The result showed the load imbalance due to y+ adaptive mesh refinement was corrected by the present approach. To utilise the BCM framework more effectively, we also tested a cube-wise algorithm switching where an explicit and implicit time integration schemes are switched depending on the local Courant-Friedrichs-Lewy (CFL) condition in each cube.

Fuel conditioning facility zone-to-zone transfer administrative controls.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pope, C. L.

2000-06-21

The administrative controls associated with transferring containers from one criticality hazard control zone to another in the Argonne National Laboratory (ANL) Fuel Conditioning Facility (FCF) are described. FCF, located at the ANL-West site near Idaho Falls, Idaho, is used to remotely process spent sodium bonded metallic fuel for disposition. The process involves nearly forty widely varying material forms and types, over fifty specific use container types, and over thirty distinct zones where work activities occur. During 1999, over five thousand transfers from one zone to another were conducted. Limits are placed on mass, material form and type, and container typesmore » for each zone. Ml material and containers are tracked using the Mass Tracking System (MTG). The MTG uses an Oracle database and numerous applications to manage the database. The database stores information specific to the process, including material composition and mass, container identification number and mass, transfer history, and the operators involved in each transfer. The process is controlled using written procedures which specify the zone, containers, and material involved in a task. Transferring a container from one zone to another is called a zone-to-zone transfer (ZZT). ZZTs consist of four distinct phases, select, request, identify, and completion.« less

Refined open intersection numbers and the Kontsevich-Penner matrix model

NASA Astrophysics Data System (ADS)

Alexandrov, Alexander; Buryak, Alexandr; Tessler, Ran J.

2017-03-01

A study of the intersection theory on the moduli space of Riemann surfaces with boundary was recently initiated in a work of R. Pandharipande, J.P. Solomon and the third author, where they introduced open intersection numbers in genus 0. Their construction was later generalized to all genera by J.P. Solomon and the third author. In this paper we consider a refinement of the open intersection numbers by distinguishing contributions from surfaces with different numbers of boundary components, and we calculate all these numbers. We then construct a matrix model for the generating series of the refined open intersection numbers and conjecture that it is equivalent to the Kontsevich-Penner matrix model. An evidence for the conjecture is presented. Another refinement of the open intersection numbers, which describes the distribution of the boundary marked points on the boundary components, is also discussed.

Separation of Lead from Crude Antimony by Pyro-Refining Process with NaPO3 Addition

NASA Astrophysics Data System (ADS)

Ye, Longgang; Hu, Yuejie; Xia, Zhimei; Chen, Yongming

2016-06-01

The main purpose of this study was to separate lead from crude antimony through an oxidation pyro-refining process and by using sodium metaphosphate as a lead elimination reagent. The process parameters that will affect the refining results were optimized experimentally under controlled conditions, such as the sodium metaphosphate charging dosage, the refining temperature and duration, and the air flow rate, to determine their effect on the lead content in refined antimony and the lead removal rate. A minimum lead content of 0.0522 wt.% and a 98.6% lead removal rate were obtained under the following optimal conditions: W_{{{NaPO}_{{3}} }} = 15% W Sb (where W represents weight), a refining temperature of 800°C, a refining time of 30 min, and an air flow rate of 3 L/min. X-ray diffractometry and scanning electron microscopy showed that high-purity antimony was obtained. The smelting operation is free from smoke or ammonia pollution when using monobasic sodium phosphate or ammonium dihydrogen phosphate as the lead elimination reagent. However, this refining process can also remove a certain amount of sulfur, cobalt, and silicon simultaneously, and smelting results also suggest that sodium metaphosphate can be used as a potential lead elimination reagent for bismuth and copper refining.

An Efficient Means of Adaptive Refinement Within Systems of Overset Grids

NASA Technical Reports Server (NTRS)

Meakin, Robert L.

1996-01-01

An efficient means of adaptive refinement within systems of overset grids is presented. Problem domains are segregated into near-body and off-body fields. Near-body fields are discretized via overlapping body-fitted grids that extend only a short distance from body surfaces. Off-body fields are discretized via systems of overlapping uniform Cartesian grids of varying levels of refinement. a novel off-body grid generation and management scheme provides the mechanism for carrying out adaptive refinement of off-body flow dynamics and solid body motion. The scheme allows for very efficient use of memory resources, and flow solvers and domain connectivity routines that can exploit the structure inherent to uniform Cartesian grids.

Vertical profile, source apportionment, and toxicity of PAHs in sediment cores of a wharf near the coal-based steel refining industrial zone in Kaohsiung, Taiwan.

PubMed

Chen, Chih-Feng; Chen, Chiu-Wen; Ju, Yun-Ru; Dong, Cheng-Di

2016-03-01

Three sediment cores were collected from a wharf near a coal-based steel refining industrial zone in Kaohsiung, Taiwan. Analyses for 16 polycyclic aromatic hydrocarbons (PAHs) of the US Environmental Protection Agency priority list in the core sediment samples were conducted using gas chromatography-mass spectrometry. The vertical profiles of PAHs in the core sediments were assessed, possible sources and apportionment were identified, and the toxicity risk of the core sediments was determined. The results from the sediment analyses showed that total concentrations of the 16 PAHs varied from 11774 ± 4244 to 16755 ± 4593 ng/g dry weight (dw). Generally, the vertical profiles of the PAHs in the sediment cores exhibited a decreasing trend from the top to the lower levels of the S1 core and an increasing trend of PAHs from the top to the lower levels of the S2 and S3 cores. Among the core sediment samples, the five- and six-ring PAHs were predominantly in the S1 core, ranging from 42 to 54 %, whereas the composition of the PAHs in the S2 and S3 cores were distributed equally across three groups: two- and three-ring, four-ring, and five- and six-ring PAHs. The results indicated that PAH contamination at the site of the S1 core had a different source. The molecular indices and principal component analyses with multivariate linear regression were used to determine the source contributions, with the results showing that the contributions of coal, oil-related, and vehicle sources were 38.6, 35.9, and 25.5 %, respectively. A PAH toxicity assessment using the mean effect range-median quotient (m-ERM-q, 0.59-0.79), benzo[a]pyrene toxicity equivalent (TEQ(carc), 1466-1954 ng TEQ/g dw), and dioxin toxicity equivalent (TEQ(fish), 3036-4174 pg TEQ/g dw) identified the wharf as the most affected area. The results can be used for regular monitoring, and future pollution prevention and management should target the coal-based industries in this region for pollution reduction.

VIEW OF RBC (REFINED BICARBONATE) BUILDING LOOKING NORTHEAST. DEMOLITION IN ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

VIEW OF RBC (REFINED BICARBONATE) BUILDING LOOKING NORTHEAST. DEMOLITION IN PROGRESS. "ARM & HAMMER BAKING SODA WAS MADE HERE FOR OVER 50 YEARS AND THEN SHIPPED ACROSS THE STREET TO THE CHURCH & DWIGHT PLANT ON WILLIS AVE. (ON THE RIGHT IN THIS PHOTO). LAYING ON THE GROUND IN FRONT OF C&D BUILDING IS PART OF AN RBC DRYING TOWER. - Solvay Process Company, Refined Bicarbonate Building, Between Willis & Milton Avenues, Solvay, Onondaga County, NY

33 CFR 165.169 - Safety and Security Zones: New York Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 33 Navigation and Navigable Waters 2 2014-07-01 2014-07-01 false Safety and Security Zones: New York Marine Inspection Zone and Captain of the Port Zone. 165.169 Section 165.169 Navigation and... Areas First Coast Guard District § 165.169 Safety and Security Zones: New York Marine Inspection Zone...

33 CFR 165.169 - Safety and Security Zones: New York Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 33 Navigation and Navigable Waters 2 2011-07-01 2011-07-01 false Safety and Security Zones: New York Marine Inspection Zone and Captain of the Port Zone. 165.169 Section 165.169 Navigation and... Areas First Coast Guard District § 165.169 Safety and Security Zones: New York Marine Inspection Zone...

33 CFR 165.169 - Safety and Security Zones: New York Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false Safety and Security Zones: New York Marine Inspection Zone and Captain of the Port Zone. 165.169 Section 165.169 Navigation and... Areas First Coast Guard District § 165.169 Safety and Security Zones: New York Marine Inspection Zone...

33 CFR 165.169 - Safety and Security Zones: New York Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 33 Navigation and Navigable Waters 2 2012-07-01 2012-07-01 false Safety and Security Zones: New York Marine Inspection Zone and Captain of the Port Zone. 165.169 Section 165.169 Navigation and... Areas First Coast Guard District § 165.169 Safety and Security Zones: New York Marine Inspection Zone...

33 CFR 165.169 - Safety and Security Zones: New York Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 33 Navigation and Navigable Waters 2 2013-07-01 2013-07-01 false Safety and Security Zones: New York Marine Inspection Zone and Captain of the Port Zone. 165.169 Section 165.169 Navigation and... Areas First Coast Guard District § 165.169 Safety and Security Zones: New York Marine Inspection Zone...

Refined gradient theory of scale-dependent superthin rods

NASA Astrophysics Data System (ADS)

Lurie, S. A.; Kuznetsova, E. L.; Rabinskii, L. N.; Popova, E. I.

2015-03-01

A version of the refined nonclassical theory of thin beams whose thickness is comparable with the scale characteristic of the material structure is constructed on the basis of the gradient theory of elasticity which, in contrast to the classical theory, contains some additional physical characteristics depending on the structure scale parameters and is therefore most appropriate for modeling the strains of scale-dependent systems. The fundamental conditions for the well-posedness of the gradient theories are obtained for the first time, and it is shown that some of the known applied gradient theories do not generally satisfy the well-posedness criterion. A version of the well-posed gradient strain theory which satisfies the symmetry condition is proposed. The well-posed gradient theory is then used to implement the method of kinematic hypotheses for constructing a refined theory of scale-dependent beams. The equilibrium equations of the refined theory of scale-dependent Timoshenko and Bernoulli beams are obtained. It is shown that the scale effects are localized near the beam ends, and therefore, taking the scale effects into account does not give any correction to the bending rigidity of long beams as noted in the previously published papers dealing with the scale-dependent beams.

Results from the hydrodynamic element of the 1994 entrapment zone study in Suisun Bay

USGS Publications Warehouse

Burau, J.R.; Gartner, J.W.; Stacey, M.

1998-01-01

The entrapment zo as long been considered an important region of the San Francisco estuary. It has been the subject of several previous studies, and its location has been suggested as an index of condition of the estuarine ecosystem.A close correlate of this location, X2 1, is now used as a management objective on the basis that X2 is correlated with the abundance or survival of several estuarine-dependent species. X2 is a crude tool to use for this purpose, but it can be refined only through improved understanding of the various mechanisms underlying these correlations. These mechanisms probably differ among species, but for species resident in and near the entrapment zone, the correlation with X2 may be due to variations in intenSity oftrapping mechanisms with pOSition of the entrapment zone. Therefore, it is worthwhile to investigate these trapping mechanisms, the nature of the entrapment zone as habitat, and the responses of the entrapment zone to changes in X2 or outflow from the Sacramento-San Joaquin Delta. Studies ofthe entrapment zone ofthe San Francisco estuary have been conducted in springs of 1994, 1995, and 1996. These studies have been funded by the Interagency Ecological Program and conducted by scientists from IEP member agencies, the Romberg Tiburon Center for Environmental Studies, Bodega Marine Laboratory, and the University of California at Santa Cruz. This report presents results from 1994, a low-flow year. Subsequent reports will describe results from 1995 and 1996 and highlight differences among years. This report is organized in chapters that comprise more-or-Iess independent papers, with an introductory chapter for the entire study. This Executive Summary presents highlights of the overall study plan and summarizes the major findings.

Refinement of NMR structures using implicit solvent and advanced sampling techniques.

PubMed

Chen, Jianhan; Im, Wonpil; Brooks, Charles L

2004-12-15

NMR biomolecular structure calculations exploit simulated annealing methods for conformational sampling and require a relatively high level of redundancy in the experimental restraints to determine quality three-dimensional structures. Recent advances in generalized Born (GB) implicit solvent models should make it possible to combine information from both experimental measurements and accurate empirical force fields to improve the quality of NMR-derived structures. In this paper, we study the influence of implicit solvent on the refinement of protein NMR structures and identify an optimal protocol of utilizing these improved force fields. To do so, we carry out structure refinement experiments for model proteins with published NMR structures using full NMR restraints and subsets of them. We also investigate the application of advanced sampling techniques to NMR structure refinement. Similar to the observations of Xia et al. (J.Biomol. NMR 2002, 22, 317-331), we find that the impact of implicit solvent is rather small when there is a sufficient number of experimental restraints (such as in the final stage of NMR structure determination), whether implicit solvent is used throughout the calculation or only in the final refinement step. The application of advanced sampling techniques also seems to have minimal impact in this case. However, when the experimental data are limited, we demonstrate that refinement with implicit solvent can substantially improve the quality of the structures. In particular, when combined with an advanced sampling technique, the replica exchange (REX) method, near-native structures can be rapidly moved toward the native basin. The REX method provides both enhanced sampling and automatic selection of the most native-like (lowest energy) structures. An optimal protocol based on our studies first generates an ensemble of initial structures that maximally satisfy the available experimental data with conventional NMR software using a simplified

Minimally refined biomass fuel

DOEpatents

Pearson, Richard K.; Hirschfeld, Tomas B.

1984-01-01

A minimally refined fluid composition, suitable as a fuel mixture and derived from biomass material, is comprised of one or more water-soluble carbohydrates such as sucrose, one or more alcohols having less than four carbons, and water. The carbohydrate provides the fuel source; water solubilizes the carbohydrates; and the alcohol aids in the combustion of the carbohydrate and reduces the vicosity of the carbohydrate/water solution. Because less energy is required to obtain the carbohydrate from the raw biomass than alcohol, an overall energy savings is realized compared to fuels employing alcohol as the primary fuel.

75 FR 15725 - Termination of Royalty-in-Kind (RIK) Eligible Refiner Program

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-30

... DEPARTMENT OF THE INTERIOR Minerals Management Service [Docket No. MMS-2009-MRM-0014] Termination of Royalty-in-Kind (RIK) Eligible Refiner Program AGENCY: Minerals Management Service, Interior. ACTION: Advance notice for the termination of the RIK Eligible Refiner Program. SUMMARY: On behalf of the...

40 CFR 80.225 - What is the definition of a small refiner?

Code of Federal Regulations, 2014 CFR

2014-07-01

... refiner? 80.225 Section 80.225 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR..., the refiner shall include the employees and crude capacity of any subsidiary companies, any parent company and subsidiaries of the parent company, and any joint venture partners. A subsidiary under this...

40 CFR 80.225 - What is the definition of a small refiner?

Code of Federal Regulations, 2010 CFR

2010-07-01

... refiner? 80.225 Section 80.225 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR..., the refiner shall include the employees and crude capacity of any subsidiary companies, any parent company and subsidiaries of the parent company, and any joint venture partners. A subsidiary under this...

An object-oriented approach for parallel self adaptive mesh refinement on block structured grids

NASA Technical Reports Server (NTRS)

Lemke, Max; Witsch, Kristian; Quinlan, Daniel

1993-01-01

Self-adaptive mesh refinement dynamically matches the computational demands of a solver for partial differential equations to the activity in the application's domain. In this paper we present two C++ class libraries, P++ and AMR++, which significantly simplify the development of sophisticated adaptive mesh refinement codes on (massively) parallel distributed memory architectures. The development is based on our previous research in this area. The C++ class libraries provide abstractions to separate the issues of developing parallel adaptive mesh refinement applications into those of parallelism, abstracted by P++, and adaptive mesh refinement, abstracted by AMR++. P++ is a parallel array class library to permit efficient development of architecture independent codes for structured grid applications, and AMR++ provides support for self-adaptive mesh refinement on block-structured grids of rectangular non-overlapping blocks. Using these libraries, the application programmers' work is greatly simplified to primarily specifying the serial single grid application and obtaining the parallel and self-adaptive mesh refinement code with minimal effort. Initial results for simple singular perturbation problems solved by self-adaptive multilevel techniques (FAC, AFAC), being implemented on the basis of prototypes of the P++/AMR++ environment, are presented. Singular perturbation problems frequently arise in large applications, e.g. in the area of computational fluid dynamics. They usually have solutions with layers which require adaptive mesh refinement and fast basic solvers in order to be resolved efficiently.

Decadal climate prediction with a refined anomaly initialisation approach

NASA Astrophysics Data System (ADS)

Volpi, Danila; Guemas, Virginie; Doblas-Reyes, Francisco J.; Hawkins, Ed; Nichols, Nancy K.

2017-03-01

In decadal prediction, the objective is to exploit both the sources of predictability from the external radiative forcings and from the internal variability to provide the best possible climate information for the next decade. Predicting the climate system internal variability relies on initialising the climate model from observational estimates. We present a refined method of anomaly initialisation (AI) applied to the ocean and sea ice components of the global climate forecast model EC-Earth, with the following key innovations: (1) the use of a weight applied to the observed anomalies, in order to avoid the risk of introducing anomalies recorded in the observed climate, whose amplitude does not fit in the range of the internal variability generated by the model; (2) the AI of the ocean density, instead of calculating it from the anomaly initialised state of temperature and salinity. An experiment initialised with this refined AI method has been compared with a full field and standard AI experiment. Results show that the use of such refinements enhances the surface temperature skill over part of the North and South Atlantic, part of the South Pacific and the Mediterranean Sea for the first forecast year. However, part of such improvement is lost in the following forecast years. For the tropical Pacific surface temperature, the full field initialised experiment performs the best. The prediction of the Arctic sea-ice volume is improved by the refined AI method for the first three forecast years and the skill of the Atlantic multidecadal oscillation is significantly increased compared to a non-initialised forecast, along the whole forecast time.

Modeling unsaturated zone flow and runoff processes by integrating MODFLOW-LGR and VSF, and creating the new CFL package

USGS Publications Warehouse

Borsia, I.; Rossetto, R.; Schifani, C.; Hill, Mary C.

2013-01-01

In this paper two modifications to the MODFLOW code are presented. One concerns an extension of Local Grid Refinement (LGR) to Variable Saturated Flow process (VSF) capability. This modification allows the user to solve the 3D Richards’ equation only in selected parts of the model domain. The second modification introduces a new package, named CFL (Cascading Flow), which improves the computation of overland flow when ground surface saturation is simulated using either VSF or the Unsaturated Zone Flow (UZF) package. The modeling concepts are presented and demonstrated. Programmer documentation is included in appendices.

Self-adjusted flux for the traveling solvent floating zone growth of YBaCuFeO5 crystal

NASA Astrophysics Data System (ADS)

Lai, Yen-Chung; Shu, Guo-Jiun; Chen, Wei-Tin; Du, Chao-Hung; Chou, Fang-Cheng

2015-03-01

A modified traveling solvent floating zone (TSFZ) technique was used to successfully grow a large size and high quality single crystal of multiferroic material YBaCuFeO5. This modified TSFZ growth uses a stoichiometric feed rod and pure copper oxide as the initial flux without prior knowledge of the complex phase diagram involving four elements, and the optimal flux for the growth of incongruently melt crystal is self-adjusted after a prolonged stable pulling. The wetting of the feed rod edge that often perturbs the molten zone stability was avoided by adding 2 wt% B2O3. The optimal flux concentration for the YBaCuFeO5 growth can be extracted to be near YBaCuFeO5:CuO=13:87 in molar ratio. The crystal quality was confirmed by the satisfactory refinement of crystal structure of space group P4mm and the two consecutive anisotropic antiferromagnetic phase transitions near 455 K and 170 K.

Fixed mesh refinement in the characteristic formulation of general relativity

NASA Astrophysics Data System (ADS)

Barreto, W.; de Oliveira, H. P.; Rodriguez-Mueller, B.

2017-08-01

We implement a spatially fixed mesh refinement under spherical symmetry for the characteristic formulation of General Relativity. The Courant-Friedrich-Levy condition lets us deploy an adaptive resolution in (retarded-like) time, even for the nonlinear regime. As test cases, we replicate the main features of the gravitational critical behavior and the spacetime structure at null infinity using the Bondi mass and the News function. Additionally, we obtain the global energy conservation for an extreme situation, i.e. in the threshold of the black hole formation. In principle, the calibrated code can be used in conjunction with an ADM 3+1 code to confirm the critical behavior recently reported in the gravitational collapse of a massless scalar field in an asymptotic anti-de Sitter spacetime. For the scenarios studied, the fixed mesh refinement offers improved runtime and results comparable to code without mesh refinement.

Overview: Application of heterogeneous nucleation in grain-refining of metals.

PubMed

Greer, A L

2016-12-07

In all of metallurgical processing, probably the most prominent example of nucleation control is the "inoculation" of melts to suppress columnar solidification and to obtain fine equiaxed grain structures in the as-cast solid. In inoculation, a master alloy is added to the melt to increase its solute content and to add stable particles that can act as nucleants for solid grains. This is important for alloys of many metals, and in other cases such as ice nucleation in living systems, but inoculation of aluminum alloys using Al-5Ti-1B (wt.%) master alloy is the exemplar. The key elements are (i) that the chemical interactions between nucleant TiB 2 particles and the melt ensure that the solid phase (α-Al) exists on the surface of the particles even above the liquidus temperature of the melt, (ii) that these perfect nucleants can initiate grains only when the barrier for free growth of α-Al is surmounted, and (iii) that (depending on whether the melt is spatially isothermal or not) the release of latent heat, or the limited extent of constitutional supercooling, can act to limit the number of grains that is initiated and therefore the degree of grain refinement that can be achieved. We review recent studies that contribute to better understanding, and improvement, of grain refinement in general. We also identify priorities for future research. These include the study of the effects of nanophase dispersions in melts. Preliminary studies show that such dispersions may be especially effective in achieving grain refinement, and raise many questions about the underlying mechanisms. The stimulation of icosahedral short-range ordering in the liquid has been shown to lead to grain refinement, and is a further priority for study, especially as the refinement can be achieved with only minor additions of solute.

Overview: Application of heterogeneous nucleation in grain-refining of metals

NASA Astrophysics Data System (ADS)

Greer, A. L.

2016-12-01

In all of metallurgical processing, probably the most prominent example of nucleation control is the "inoculation" of melts to suppress columnar solidification and to obtain fine equiaxed grain structures in the as-cast solid. In inoculation, a master alloy is added to the melt to increase its solute content and to add stable particles that can act as nucleants for solid grains. This is important for alloys of many metals, and in other cases such as ice nucleation in living systems, but inoculation of aluminum alloys using Al-5Ti-1B (wt.%) master alloy is the exemplar. The key elements are (i) that the chemical interactions between nucleant TiB2 particles and the melt ensure that the solid phase (α-Al) exists on the surface of the particles even above the liquidus temperature of the melt, (ii) that these perfect nucleants can initiate grains only when the barrier for free growth of α-Al is surmounted, and (iii) that (depending on whether the melt is spatially isothermal or not) the release of latent heat, or the limited extent of constitutional supercooling, can act to limit the number of grains that is initiated and therefore the degree of grain refinement that can be achieved. We review recent studies that contribute to better understanding, and improvement, of grain refinement in general. We also identify priorities for future research. These include the study of the effects of nanophase dispersions in melts. Preliminary studies show that such dispersions may be especially effective in achieving grain refinement, and raise many questions about the underlying mechanisms. The stimulation of icosahedral short-range ordering in the liquid has been shown to lead to grain refinement, and is a further priority for study, especially as the refinement can be achieved with only minor additions of solute.

COMPUTATIONAL METHODOLOGIES for REAL-SPACE STRUCTURAL REFINEMENT of LARGE MACROMOLECULAR COMPLEXES

PubMed Central

Goh, Boon Chong; Hadden, Jodi A.; Bernardi, Rafael C.; Singharoy, Abhishek; McGreevy, Ryan; Rudack, Till; Cassidy, C. Keith; Schulten, Klaus

2017-01-01

The rise of the computer as a powerful tool for model building and refinement has revolutionized the field of structure determination for large biomolecular systems. Despite the wide availability of robust experimental methods capable of resolving structural details across a range of spatiotemporal resolutions, computational hybrid methods have the unique ability to integrate the diverse data from multimodal techniques such as X-ray crystallography and electron microscopy into consistent, fully atomistic structures. Here, commonly employed strategies for computational real-space structural refinement are reviewed, and their specific applications are illustrated for several large macromolecular complexes: ribosome, virus capsids, chemosensory array, and photosynthetic chromatophore. The increasingly important role of computational methods in large-scale structural refinement, along with current and future challenges, is discussed. PMID:27145875

KoBaMIN: a knowledge-based minimization web server for protein structure refinement.

PubMed

Rodrigues, João P G L M; Levitt, Michael; Chopra, Gaurav

2012-07-01

The KoBaMIN web server provides an online interface to a simple, consistent and computationally efficient protein structure refinement protocol based on minimization of a knowledge-based potential of mean force. The server can be used to refine either a single protein structure or an ensemble of proteins starting from their unrefined coordinates in PDB format. The refinement method is particularly fast and accurate due to the underlying knowledge-based potential derived from structures deposited in the PDB; as such, the energy function implicitly includes the effects of solvent and the crystal environment. Our server allows for an optional but recommended step that optimizes stereochemistry using the MESHI software. The KoBaMIN server also allows comparison of the refined structures with a provided reference structure to assess the changes brought about by the refinement protocol. The performance of KoBaMIN has been benchmarked widely on a large set of decoys, all models generated at the seventh worldwide experiments on critical assessment of techniques for protein structure prediction (CASP7) and it was also shown to produce top-ranking predictions in the refinement category at both CASP8 and CASP9, yielding consistently good results across a broad range of model quality values. The web server is fully functional and freely available at http://csb.stanford.edu/kobamin.

Refinements in the Los Alamos model of the prompt fission neutron spectrum

DOE PAGES

Madland, D. G.; Kahler, A. C.

2017-01-01

This paper presents a number of refinements to the original Los Alamos model of the prompt fission neutron spectrum and average prompt neutron multiplicity as derived in 1982. The four refinements are due to new measurements of the spectrum and related fission observables many of which were not available in 1982. Here, they are also due to a number of detailed studies and comparisons of the model with previous and present experimental results including not only the differential spectrum, but also integal cross sections measured in the field of the differential spectrum. The four refinements are (a) separate neutron contributionsmore » in binary fission, (b) departure from statistical equilibrium at scission, (c) fission-fragment nuclear level-density models, and (d) center-of-mass anisotropy. With these refinements, for the first time, good agreement has been obtained for both differential and integral measurements using the same Los Alamos model spectrum.« less

Array-based, parallel hierarchical mesh refinement algorithms for unstructured meshes

DOE PAGES

Ray, Navamita; Grindeanu, Iulian; Zhao, Xinglin; ...

2016-08-18

In this paper, we describe an array-based hierarchical mesh refinement capability through uniform refinement of unstructured meshes for efficient solution of PDE's using finite element methods and multigrid solvers. A multi-degree, multi-dimensional and multi-level framework is designed to generate the nested hierarchies from an initial coarse mesh that can be used for a variety of purposes such as in multigrid solvers/preconditioners, to do solution convergence and verification studies and to improve overall parallel efficiency by decreasing I/O bandwidth requirements (by loading smaller meshes and in memory refinement). We also describe a high-order boundary reconstruction capability that can be used tomore » project the new points after refinement using high-order approximations instead of linear projection in order to minimize and provide more control on geometrical errors introduced by curved boundaries.The capability is developed under the parallel unstructured mesh framework "Mesh Oriented dAtaBase" (MOAB Tautges et al. (2004)). We describe the underlying data structures and algorithms to generate such hierarchies in parallel and present numerical results for computational efficiency and effect on mesh quality. Furthermore, we also present results to demonstrate the applicability of the developed capability to study convergence properties of different point projection schemes for various mesh hierarchies and to a multigrid finite-element solver for elliptic problems.« less

A Comparison of the Behaviour of AlTiB and AlTiC Grain Refiners

NASA Astrophysics Data System (ADS)

Schneider, W.; Kearns, M. A.; McGarry, M. J.; Whitehead, A. J.

AlTiC master alloys present a new alternative to AlTiB grain refiners which have enjoyed pre-eminence in cast houses for several decades. Recent investigations have shown that, under defined casting conditions, AlTiC is a more efficient grain refiner than AlTiB, is less prone to agglomeration and is more resistant to poisoning by Zr, Cr. Moreover it is observed that there are differences in the mechanism of grain refinement for the different alloys. This paper describes the influence of melt temperature and addition rate on the performance of both types of grain refiner in DC casting tests on different wrought alloys. Furthermore the effects of combined additions of the grain refiners and the recycling behaviour of the treated alloys are presented. Results are compared with laboratory test data. Finally, mechanisms of grain refinement are discussed which are consistent with the observed differences in behaviour with AlTiC and AlTiB.

Segmental Refinement: A Multigrid Technique for Data Locality

DOE PAGES

Adams, Mark F.; Brown, Jed; Knepley, Matt; ...

2016-08-04

In this paper, we investigate a domain decomposed multigrid technique, termed segmental refinement, for solving general nonlinear elliptic boundary value problems. We extend the method first proposed in 1994 by analytically and experimentally investigating its complexity. We confirm that communication of traditional parallel multigrid is eliminated on fine grids, with modest amounts of extra work and storage, while maintaining the asymptotic exactness of full multigrid. We observe an accuracy dependence on the segmental refinement subdomain size, which was not considered in the original analysis. Finally, we present a communication complexity analysis that quantifies the communication costs ameliorated by segmental refinementmore » and report performance results with up to 64K cores on a Cray XC30.« less

WorkZoneQ user guide for two-lane freeway work zones.

DOT National Transportation Integrated Search

2013-06-01

WorkZoneQ was developed in Visual Basic for Applications (VBA) to implement the results of the previous study, : Queue and Users Costs in Highway Work Zones. This report contains the WorkZoneQ user guide. WorkZoneQ : consists of eight Excel ...

40 CFR 80.553 - Under what conditions may the small refiner gasoline sulfur standards be extended for a small...

Code of Federal Regulations, 2010 CFR

2010-07-01

... refiner gasoline sulfur standards be extended for a small refiner of motor vehicle diesel fuel? 80.553... small refiner gasoline sulfur standards be extended for a small refiner of motor vehicle diesel fuel? (a) A refiner that has been approved by EPA for small refiner gasoline sulfur standards under § 80.240...

40 CFR 80.553 - Under what conditions may the small refiner gasoline sulfur standards be extended for a small...

Code of Federal Regulations, 2011 CFR

2011-07-01

... refiner gasoline sulfur standards be extended for a small refiner of motor vehicle diesel fuel? 80.553... small refiner gasoline sulfur standards be extended for a small refiner of motor vehicle diesel fuel? (a) A refiner that has been approved by EPA for small refiner gasoline sulfur standards under § 80.240...

Molecular differences in transition zone and peripheral zone prostate tumors

PubMed Central

Sinnott, Jennifer A.; Rider, Jennifer R.; Carlsson, Jessica; Gerke, Travis; Tyekucheva, Svitlana; Penney, Kathryn L.; Sesso, Howard D.; Loda, Massimo; Fall, Katja; Stampfer, Meir J.; Mucci, Lorelei A.; Pawitan, Yudi; Andersson, Sven-Olof; Andrén, Ove

2015-01-01

Prostate tumors arise primarily in the peripheral zone (PZ) of the prostate, but 20–30% arise in the transition zone (TZ). Zone of origin may have prognostic value or reflect distinct molecular subtypes; however, it can be difficult to determine in practice. Using whole-genome gene expression, we built a signature of zone using normal tissue from five individuals and found that it successfully classified nine tumors of known zone. Hypothesizing that this signature captures tumor zone of origin, we assessed its relationship with clinical factors among 369 tumors of unknown zone from radical prostatectomies (RPs) and found that tumors that molecularly resembled TZ tumors showed lower mortality (P = 0.09) that was explained by lower Gleason scores (P = 0.009). We further applied the signature to an earlier study of 88 RP and 333 transurethral resection of the prostate (TURP) tumor samples, also of unknown zone, with gene expression on ~6000 genes. We had observed previously substantial expression differences between RP and TURP specimens, and hypothesized that this might be because RPs capture primarily PZ tumors, whereas TURPs capture more TZ tumors. Our signature distinguished these two groups, with an area under the receiver operating characteristic curve of 87% (P < 0.0001). Our findings that zonal differences in normal tissue persist in tumor tissue and that these differences are associated with Gleason score and sample type suggest that subtypes potentially resulting from different etiologic pathways might arise in these zones. Zone of origin may be important to consider in prostate tumor biomarker research. PMID:25870172

40 CFR 80.240 - What are the small refiner gasoline sulfur standards?

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 17 2013-07-01 2013-07-01 false What are the small refiner gasoline... (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.240 What are the small refiner gasoline sulfur standards? (a) The gasoline sulfur standards...

40 CFR 80.240 - What are the small refiner gasoline sulfur standards?

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 16 2010-07-01 2010-07-01 false What are the small refiner gasoline... (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.240 What are the small refiner gasoline sulfur standards? (a) The gasoline sulfur standards...

40 CFR 80.240 - What are the small refiner gasoline sulfur standards?

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 17 2012-07-01 2012-07-01 false What are the small refiner gasoline... (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.240 What are the small refiner gasoline sulfur standards? (a) The gasoline sulfur standards...

40 CFR 80.240 - What are the small refiner gasoline sulfur standards?

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 17 2014-07-01 2014-07-01 false What are the small refiner gasoline... (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.240 What are the small refiner gasoline sulfur standards? (a) The gasoline sulfur standards...

40 CFR 80.240 - What are the small refiner gasoline sulfur standards?

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 16 2011-07-01 2011-07-01 false What are the small refiner gasoline... (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.240 What are the small refiner gasoline sulfur standards? (a) The gasoline sulfur standards...

40 CFR 80.554 - What compliance options are available to NRLM diesel fuel small refiners?

Code of Federal Regulations, 2011 CFR

2011-07-01

... to NRLM diesel fuel small refiners? 80.554 Section 80.554 Protection of Environment ENVIRONMENTAL... Diesel Fuel; Nonroad, Locomotive, and Marine Diesel Fuel; and ECA Marine Fuel Small Refiner Hardship Provisions § 80.554 What compliance options are available to NRLM diesel fuel small refiners? (a) Option 1: A...

40 CFR 80.554 - What compliance options are available to NRLM diesel fuel small refiners?

Code of Federal Regulations, 2010 CFR

2010-07-01

... to NRLM diesel fuel small refiners? 80.554 Section 80.554 Protection of Environment ENVIRONMENTAL... Diesel Fuel; Nonroad, Locomotive, and Marine Diesel Fuel; and ECA Marine Fuel Small Refiner Hardship Provisions § 80.554 What compliance options are available to NRLM diesel fuel small refiners? (a) Option 1: A...

Spherical Harmonic Decomposition of Gravitational Waves Across Mesh Refinement Boundaries

NASA Technical Reports Server (NTRS)

Fiske, David R.; Baker, John; vanMeter, James R.; Centrella, Joan M.

2005-01-01

We evolve a linearized (Teukolsky) solution of the Einstein equations with a non-linear Einstein solver. Using this testbed, we are able to show that such gravitational waves, defined by the Weyl scalars in the Newman-Penrose formalism, propagate faithfully across mesh refinement boundaries, and use, for the first time to our knowledge, a novel algorithm due to Misner to compute spherical harmonic components of our waveforms. We show that the algorithm performs extremely well, even when the extraction sphere intersects refinement boundaries.

76 FR 63202 - Security Zones; Captain of the Port Lake Michigan Zone

Federal Register 2010, 2011, 2012, 2013, 2014

2011-10-12

...-AA87 Security Zones; Captain of the Port Lake Michigan Zone AGENCY: Coast Guard, DHS. ACTION: Final rule. SUMMARY: Based on a review of safety and security zones around critical infrastructure in the... Chicago Harbor & Burnham Park Harbor--Safety and Security Zone regulation and the Security Zones; Captain...

Complications at the Proximal Landing Zone of Endovascular Stent Grafts Deployed in Surgically Replaced Ascending Aorta.

PubMed

Kotha, Vamshi K; Herget, Eric J; Appoo, Jehangir J

2016-11-01

The ascending aorta, with its hostile angulations and forces, is the next frontier in the evolution of endovascular surgery. Type II hybrid arch repair, involving surgical replacement of the ascending aorta, arch debranching, and stent graft deployment in the ascending aortic graft, offers an opportunity to study the behavior of an endovascular prosthesis in the ascending aorta. We report complications seen at the proximal landing zone after type II hybrid arch repair. A dedicated imaging protocol was used to monitor 20 consecutive patients who underwent type II hybrid arch repair at a single center from June 2009 to July 2014. Mean age was 66 years (range, 47 to 82 years). Mean imaging follow-up was 34 months (range, 12 to 64 months). There was 1 operative death (5%). Bird beaking (>5 mm of nonapposition) of the stent graft at the proximal landing zone occurred in 12 patients, and >20 mm of bird beaking occurred in 7 patients. Proximal landing zone complications occurred in 4 patients (20%), comprising 2 type Ia endoleaks, 1 graft migration, and 1 graft infolding detected on postoperative days 4, 11, 5, and 755, respectively. Three patients underwent endovascular reintervention for proximal landing zone complications. There were no late deaths. Thoracic aortic stent grafts may be prone to proximal landing zone complications when deployed in the ascending aorta. Bird beaking is common when endografts are deployed in the Dacron (DuPont, Wilmington, DE) ascending aorta. Angulation issues will likely need to be overcome by stent graft refinement to enable future closed chest approaches to the ascending aorta. Copyright © 2016 The Society of Thoracic Surgeons. Published by Elsevier Inc. All rights reserved.

76 FR 61074 - USDA Increases the Fiscal Year 2011 Tariff-Rate Quota for Refined Sugar

Federal Register 2010, 2011, 2012, 2013, 2014

2011-10-03

... Quota for Refined Sugar AGENCY: Office of the Secretary, USDA. ACTION: Notice. SUMMARY: The Secretary of Agriculture today announced an increase in the fiscal year (FY) 2011 refined sugar tariff-rate quota (TRQ) of... INFORMATION: A quantity of 22,000 MTRV for sugars, syrups, and molasses (collectively referred to as refined...

PREFMD: a web server for protein structure refinement via molecular dynamics simulations.

PubMed

Heo, Lim; Feig, Michael

2018-03-15

Refinement of protein structure models is a long-standing problem in structural bioinformatics. Molecular dynamics-based methods have emerged as an avenue to achieve consistent refinement. The PREFMD web server implements an optimized protocol based on the method successfully tested in CASP11. Validation with recent CASP refinement targets shows consistent and more significant improvement in global structure accuracy over other state-of-the-art servers. PREFMD is freely available as a web server at http://feiglab.org/prefmd. Scripts for running PREFMD as a stand-alone package are available at https://github.com/feiglab/prefmd.git. feig@msu.edu. Supplementary data are available at Bioinformatics online.

33 CFR 165.911 - Security Zones; Captain of the Port Buffalo Zone.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 33 Navigation and Navigable Waters 2 2014-07-01 2014-07-01 false Security Zones; Captain of the Port Buffalo Zone. 165.911 Section 165.911 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF... Security Zones; Captain of the Port Buffalo Zone. (a) Location. The following are security zones: (1) Nine...

33 CFR 165.911 - Security Zones; Captain of the Port Buffalo Zone.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 33 Navigation and Navigable Waters 2 2013-07-01 2013-07-01 false Security Zones; Captain of the Port Buffalo Zone. 165.911 Section 165.911 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF... Security Zones; Captain of the Port Buffalo Zone. (a) Location. The following are security zones: (1) Nine...

33 CFR 165.911 - Security Zones; Captain of the Port Buffalo Zone.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 33 Navigation and Navigable Waters 2 2011-07-01 2011-07-01 false Security Zones; Captain of the Port Buffalo Zone. 165.911 Section 165.911 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF... Security Zones; Captain of the Port Buffalo Zone. (a) Location. The following are security zones: (1) Nine...

33 CFR 165.911 - Security Zones; Captain of the Port Buffalo Zone.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 33 Navigation and Navigable Waters 2 2012-07-01 2012-07-01 false Security Zones; Captain of the Port Buffalo Zone. 165.911 Section 165.911 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF... Security Zones; Captain of the Port Buffalo Zone. (a) Location. The following are security zones: (1) Nine...

A quality-refinement process for medical imaging applications.

PubMed

Neuhaus, J; Maleike, D; Nolden, M; Kenngott, H-G; Meinzer, H-P; Wolf, I

2009-01-01

To introduce and evaluate a process for refinement of software quality that is suitable to research groups. In order to avoid constraining researchers too much, the quality improvement process has to be designed carefully. The scope of this paper is to present and evaluate a process to advance quality aspects of existing research prototypes in order to make them ready for initial clinical studies. The proposed process is tailored for research environments and therefore more lightweight than traditional quality management processes. Focus on quality criteria that are important at the given stage of the software life cycle. Usage of tools that automate aspects of the process is emphasized. To evaluate the additional effort that comes along with the process, it was exemplarily applied for eight prototypical software modules for medical image processing. The introduced process has been applied to improve the quality of all prototypes so that they could be successfully used in clinical studies. The quality refinement yielded an average of 13 person days of additional effort per project. Overall, 107 bugs were found and resolved by applying the process. Careful selection of quality criteria and the usage of automated process tools lead to a lightweight quality refinement process suitable for scientific research groups that can be applied to ensure a successful transfer of technical software prototypes into clinical research workflows.

Bauxite mining and alumina refining: process description and occupational health risks.

PubMed

Donoghue, A Michael; Frisch, Neale; Olney, David

2014-05-01

To describe bauxite mining and alumina refining processes and to outline the relevant physical, chemical, biological, ergonomic, and psychosocial health risks. Review article. The most important risks relate to noise, ergonomics, trauma, and caustic soda splashes of the skin/eyes. Other risks of note relate to fatigue, heat, and solar ultraviolet and for some operations tropical diseases, venomous/dangerous animals, and remote locations. Exposures to bauxite dust, alumina dust, and caustic mist in contemporary best-practice bauxite mining and alumina refining operations have not been demonstrated to be associated with clinically significant decrements in lung function. Exposures to bauxite dust and alumina dust at such operations are also not associated with the incidence of cancer. A range of occupational health risks in bauxite mining and alumina refining require the maintenance of effective control measures.

Thermal-chemical Mantle Convection Models With Adaptive Mesh Refinement

NASA Astrophysics Data System (ADS)

Leng, W.; Zhong, S.

2008-12-01

In numerical modeling of mantle convection, resolution is often crucial for resolving small-scale features. New techniques, adaptive mesh refinement (AMR), allow local mesh refinement wherever high resolution is needed, while leaving other regions with relatively low resolution. Both computational efficiency for large- scale simulation and accuracy for small-scale features can thus be achieved with AMR. Based on the octree data structure [Tu et al. 2005], we implement the AMR techniques into the 2-D mantle convection models. For pure thermal convection models, benchmark tests show that our code can achieve high accuracy with relatively small number of elements both for isoviscous cases (i.e. 7492 AMR elements v.s. 65536 uniform elements) and for temperature-dependent viscosity cases (i.e. 14620 AMR elements v.s. 65536 uniform elements). We further implement tracer-method into the models for simulating thermal-chemical convection. By appropriately adding and removing tracers according to the refinement of the meshes, our code successfully reproduces the benchmark results in van Keken et al. [1997] with much fewer elements and tracers compared with uniform-mesh models (i.e. 7552 AMR elements v.s. 16384 uniform elements, and ~83000 tracers v.s. ~410000 tracers). The boundaries of the chemical piles in our AMR code can be easily refined to the scales of a few kilometers for the Earth's mantle and the tracers are concentrated near the chemical boundaries to precisely trace the evolvement of the boundaries. It is thus very suitable for our AMR code to study the thermal-chemical convection problems which need high resolution to resolve the evolvement of chemical boundaries, such as the entrainment problems [Sleep, 1988].

A conservation and biophysics guided stochastic approach to refining docked multimeric proteins.

PubMed

Akbal-Delibas, Bahar; Haspel, Nurit

2013-01-01

We introduce a protein docking refinement method that accepts complexes consisting of any number of monomeric units. The method uses a scoring function based on a tight coupling between evolutionary conservation, geometry and physico-chemical interactions. Understanding the role of protein complexes in the basic biology of organisms heavily relies on the detection of protein complexes and their structures. Different computational docking methods are developed for this purpose, however, these methods are often not accurate and their results need to be further refined to improve the geometry and the energy of the resulting complexes. Also, despite the fact that complexes in nature often have more than two monomers, most docking methods focus on dimers since the computational complexity increases exponentially due to the addition of monomeric units. Our results show that the refinement scheme can efficiently handle complexes with more than two monomers by biasing the results towards complexes with native interactions, filtering out false positive results. Our refined complexes have better IRMSDs with respect to the known complexes and lower energies than those initial docked structures. Evolutionary conservation information allows us to bias our results towards possible functional interfaces, and the probabilistic selection scheme helps us to escape local energy minima. We aim to incorporate our refinement method in a larger framework which also enables docking of multimeric complexes given only monomeric structures.

Refining Automatically Extracted Knowledge Bases Using Crowdsourcing.

PubMed

Li, Chunhua; Zhao, Pengpeng; Sheng, Victor S; Xian, Xuefeng; Wu, Jian; Cui, Zhiming

2017-01-01

Machine-constructed knowledge bases often contain noisy and inaccurate facts. There exists significant work in developing automated algorithms for knowledge base refinement. Automated approaches improve the quality of knowledge bases but are far from perfect. In this paper, we leverage crowdsourcing to improve the quality of automatically extracted knowledge bases. As human labelling is costly, an important research challenge is how we can use limited human resources to maximize the quality improvement for a knowledge base. To address this problem, we first introduce a concept of semantic constraints that can be used to detect potential errors and do inference among candidate facts. Then, based on semantic constraints, we propose rank-based and graph-based algorithms for crowdsourced knowledge refining, which judiciously select the most beneficial candidate facts to conduct crowdsourcing and prune unnecessary questions. Our experiments show that our method improves the quality of knowledge bases significantly and outperforms state-of-the-art automatic methods under a reasonable crowdsourcing cost.

Refining Automatically Extracted Knowledge Bases Using Crowdsourcing

PubMed Central

Xian, Xuefeng; Cui, Zhiming

2017-01-01

Machine-constructed knowledge bases often contain noisy and inaccurate facts. There exists significant work in developing automated algorithms for knowledge base refinement. Automated approaches improve the quality of knowledge bases but are far from perfect. In this paper, we leverage crowdsourcing to improve the quality of automatically extracted knowledge bases. As human labelling is costly, an important research challenge is how we can use limited human resources to maximize the quality improvement for a knowledge base. To address this problem, we first introduce a concept of semantic constraints that can be used to detect potential errors and do inference among candidate facts. Then, based on semantic constraints, we propose rank-based and graph-based algorithms for crowdsourced knowledge refining, which judiciously select the most beneficial candidate facts to conduct crowdsourcing and prune unnecessary questions. Our experiments show that our method improves the quality of knowledge bases significantly and outperforms state-of-the-art automatic methods under a reasonable crowdsourcing cost. PMID:28588611

Effect of Solutes on Grain Refinement of As-Cast Fe-4Si Alloy

NASA Astrophysics Data System (ADS)

Li, Ming; Li, Jian-Min; Zheng, Qing; Wang, Geoff; Zhang, Ming-Xing

2018-06-01

Grain size is one of the key microstructural factors that control the mechanical properties of steels. The present work aims to extend the theories of grain refinement which were established for cast light alloys to steel systems. Using a designed Fe-4 wt pct Si alloy (all-ferrite structure during whole solidification process), the solute effect on grain refinement/grain coarsening in ferritic systems was comprehensively investigated. Experimental results showed that boron (B), which is associated with the highest Q value (growth restriction factor) in ferrite, significantly refined the as-cast structure of the Fe-4 wt pct Si alloy. Cu and Mo with low Q values had no effect on grain refinement. However, although Y and Zr have relatively high Q values, addition of these two solutes led to grain coarsening in the Fe-4Si alloy. Understanding the results in regards to the growth restriction factor and the driving force for the solidification led to the conclusion that in addition to the grain growth restriction effect, the changes of thermodynamic driving force for solidification due to the solute addition also played a key role in grain refinement in ferritic alloys.

Effect of Solutes on Grain Refinement of As-Cast Fe-4Si Alloy

NASA Astrophysics Data System (ADS)

Li, Ming; Li, Jian-Min; Zheng, Qing; Wang, Geoff; Zhang, Ming-Xing

2018-03-01

Grain size is one of the key microstructural factors that control the mechanical properties of steels. The present work aims to extend the theories of grain refinement which were established for cast light alloys to steel systems. Using a designed Fe-4 wt pct Si alloy (all-ferrite structure during whole solidification process), the solute effect on grain refinement/grain coarsening in ferritic systems was comprehensively investigated. Experimental results showed that boron (B), which is associated with the highest Q value (growth restriction factor) in ferrite, significantly refined the as-cast structure of the Fe-4 wt pct Si alloy. Cu and Mo with low Q values had no effect on grain refinement. However, although Y and Zr have relatively high Q values, addition of these two solutes led to grain coarsening in the Fe-4Si alloy. Understanding the results in regards to the growth restriction factor and the driving force for the solidification led to the conclusion that in addition to the grain growth restriction effect, the changes of thermodynamic driving force for solidification due to the solute addition also played a key role in grain refinement in ferritic alloys.

Adaptive temporal refinement in injection molding

NASA Astrophysics Data System (ADS)

Karyofylli, Violeta; Schmitz, Mauritius; Hopmann, Christian; Behr, Marek

2018-05-01

Mold filling is an injection molding stage of great significance, because many defects of the plastic components (e.g. weld lines, burrs or insufficient filling) can occur during this process step. Therefore, it plays an important role in determining the quality of the produced parts. Our goal is the temporal refinement in the vicinity of the evolving melt front, in the context of 4D simplex-type space-time grids [1, 2]. This novel discretization method has an inherent flexibility to employ completely unstructured meshes with varying levels of resolution both in spatial dimensions and in the time dimension, thus allowing the use of local time-stepping during the simulations. This can lead to a higher simulation precision, while preserving calculation efficiency. A 3D benchmark case, which concerns the filling of a plate-shaped geometry, is used for verifying our numerical approach [3]. The simulation results obtained with the fully unstructured space-time discretization are compared to those obtained with the standard space-time method and to Moldflow simulation results. This example also serves for providing reliable timing measurements and the efficiency aspects of the filling simulation of complex 3D molds while applying adaptive temporal refinement.

Adaptive mesh refinement for characteristic grids

NASA Astrophysics Data System (ADS)

Thornburg, Jonathan

2011-05-01

I consider techniques for Berger-Oliger adaptive mesh refinement (AMR) when numerically solving partial differential equations with wave-like solutions, using characteristic (double-null) grids. Such AMR algorithms are naturally recursive, and the best-known past Berger-Oliger characteristic AMR algorithm, that of Pretorius and Lehner (J Comp Phys 198:10, 2004), recurses on individual "diamond" characteristic grid cells. This leads to the use of fine-grained memory management, with individual grid cells kept in two-dimensional linked lists at each refinement level. This complicates the implementation and adds overhead in both space and time. Here I describe a Berger-Oliger characteristic AMR algorithm which instead recurses on null slices. This algorithm is very similar to the usual Cauchy Berger-Oliger algorithm, and uses relatively coarse-grained memory management, allowing entire null slices to be stored in contiguous arrays in memory. The algorithm is very efficient in both space and time. I describe discretizations yielding both second and fourth order global accuracy. My code implementing the algorithm described here is included in the electronic supplementary materials accompanying this paper, and is freely available to other researchers under the terms of the GNU general public license.

Aspects of Western Refining, Inc.'s Proposed Acquisition of Giant Industries, Inc.

EIA Publications

2006-01-01

Presentation of company-level, non-proprietary data and relevant aggregate data for U.S. refinery capacity and gasoline marketing of Western Refining and Giant Industries to inform discussions of Western Refining Inc.'s proposed acquisition of Giant Industries Inc. for a total of $1.5 billion, which was announced August 28, 2006.

77 FR 50929 - Security Zones; 2012 RNC Bridge Security Zones, Captain of the Port St. Petersburg Zone, Tampa, FL

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-23

...-AA87 Security Zones; 2012 RNC Bridge Security Zones, Captain of the Port St. Petersburg Zone, Tampa, FL... temporary security zones around certain bridges on the waters of Pinellas County and Tampa Bay, Florida..., or mooring on waters within 50 yards of the designated bridges during the times that the security...

Slip Zone versus Damage Zone Micromechanics, Arima-Takasuki Tectonic Line, Japan

NASA Astrophysics Data System (ADS)

White, J. C.; Lin, A.

2017-12-01

The Arima-Takasuki Tectonic Line (ATTL) of southern Honshu, Japan is defined by historically active faults and multiple splays producing M7 earthquakes. The damage zone of the ATTL comprises a broad zone of crushed, comminuted and pulverized granite/rhyolite1,2containing cm-scale slip zones and highly comminuted injection veins. In this presentation, prior work on the ATTL fault rocks is extending to include microstructural characterization by transmission electron microscopy (TEM) from recent trenching of the primary slip zone, as well as secondary slip zones. This is necessary to adequately characterize the extremely fine-grained material (typically less than 1mm) in both damage and core zones. Damage zone material exhibits generally random textures3 whereas slip zones are macroscopically foliated, and compositionally layered, notwithstanding a fairly homogeneous protolith. The latter reflects fluid-rock interaction during both coseismic and interseismic periods. The slip zones are microstructurally heterogeneous at all scales, comprising not only cataclasites and phyllosilicate (clay)-rich gouge zones, but Fe/Mn pellets or clasts that are contained within gouge. These structures appear to have rolled and would suggest rapid recrystallization and/or growth. A central question related to earthquake recurrence along existing faults is the nature of the gouge. In both near-surface exposures and ongoing drilling at depth, "plastic" or "viscous" gouge zones comprise ultra-fine-grained clay-siliciclastic particles that would not necessarily respond in a simple frictional manner. Depending on whether the plastic nature of these slip zones develops during or after slip, subsequent focusing of slip within them could be complicated. 1 Mitchell, T.A., Ben-Zion, Y., Shimamoto, T., 2011. Ear. Planet. Sci. Lett. 308, 284-297. 2 Lin, A., Yamashita, K, Tanaka, M. J., 2013. Struc. Geol. 48, 3-13. 3 White, J.C., Lin, A. 2016. Proc. AGU Fall Mtg., T42-02 San Francisco.

40 CFR 409.20 - Applicability; description of the crystalline cane sugar refining subcategory.

Code of Federal Regulations, 2013 CFR

2013-07-01

... crystalline cane sugar refining subcategory. 409.20 Section 409.20 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES AND STANDARDS SUGAR PROCESSING POINT SOURCE CATEGORY Crystalline Cane Sugar Refining Subcategory § 409.20 Applicability; description of the crystalline cane sugar...

40 CFR 409.20 - Applicability; description of the crystalline cane sugar refining subcategory.

Code of Federal Regulations, 2012 CFR

2012-07-01

... crystalline cane sugar refining subcategory. 409.20 Section 409.20 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES AND STANDARDS SUGAR PROCESSING POINT SOURCE CATEGORY Crystalline Cane Sugar Refining Subcategory § 409.20 Applicability; description of the crystalline cane sugar...

40 CFR 409.20 - Applicability; description of the crystalline cane sugar refining subcategory.

Code of Federal Regulations, 2014 CFR

2014-07-01

... crystalline cane sugar refining subcategory. 409.20 Section 409.20 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES AND STANDARDS SUGAR PROCESSING POINT SOURCE CATEGORY Crystalline Cane Sugar Refining Subcategory § 409.20 Applicability; description of the crystalline cane sugar...

40 CFR 409.20 - Applicability; description of the crystalline cane sugar refining subcategory.

Code of Federal Regulations, 2010 CFR

2010-07-01

... crystalline cane sugar refining subcategory. 409.20 Section 409.20 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES AND STANDARDS SUGAR PROCESSING POINT SOURCE CATEGORY Crystalline Cane Sugar Refining Subcategory § 409.20 Applicability; description of the crystalline cane sugar...

40 CFR 409.20 - Applicability; description of the crystalline cane sugar refining subcategory.

Code of Federal Regulations, 2011 CFR

2011-07-01

... crystalline cane sugar refining subcategory. 409.20 Section 409.20 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES AND STANDARDS SUGAR PROCESSING POINT SOURCE CATEGORY Crystalline Cane Sugar Refining Subcategory § 409.20 Applicability; description of the crystalline cane sugar...

Advanced Computational Methods for High-accuracy Refinement of Protein Low-quality Models

NASA Astrophysics Data System (ADS)

Zang, Tianwu

Predicting the 3-dimentional structure of protein has been a major interest in the modern computational biology. While lots of successful methods can generate models with 3˜5A root-mean-square deviation (RMSD) from the solution, the progress of refining these models is quite slow. It is therefore urgently needed to develop effective methods to bring low-quality models to higher-accuracy ranges (e.g., less than 2 A RMSD). In this thesis, I present several novel computational methods to address the high-accuracy refinement problem. First, an enhanced sampling method, named parallel continuous simulated tempering (PCST), is developed to accelerate the molecular dynamics (MD) simulation. Second, two energy biasing methods, Structure-Based Model (SBM) and Ensemble-Based Model (EBM), are introduced to perform targeted sampling around important conformations. Third, a three-step method is developed to blindly select high-quality models along the MD simulation. These methods work together to make significant refinement of low-quality models without any knowledge of the solution. The effectiveness of these methods is examined in different applications. Using the PCST-SBM method, models with higher global distance test scores (GDT_TS) are generated and selected in the MD simulation of 18 targets from the refinement category of the 10th Critical Assessment of Structure Prediction (CASP10). In addition, in the refinement test of two CASP10 targets using the PCST-EBM method, it is indicated that EBM may bring the initial model to even higher-quality levels. Furthermore, a multi-round refinement protocol of PCST-SBM improves the model quality of a protein to the level that is sufficient high for the molecular replacement in X-ray crystallography. Our results justify the crucial position of enhanced sampling in the protein structure prediction and demonstrate that a considerable improvement of low-accuracy structures is still achievable with current force fields.

Evaluation of Ohio work zone speed zones process.

DOT National Transportation Integrated Search

2014-06-01

This report describes the methodology and results of analyses performed to determine the effectiveness of Ohio Department of Transportation processes for establishing work zone speed zones. Researchers observed motorists speed choice upstream of a...

Comparison of lab, pilot, and industrial scale low consistency mechanical refining for improvements in enzymatic digestibility of pretreated hardwood.

PubMed

Jones, Brandon W; Venditti, Richard; Park, Sunkyu; Jameel, Hasan

2014-09-01

Mechanical refining has been shown to improve biomass enzymatic digestibility. In this study industrial high-yield sodium carbonate hardwood pulp was subjected to lab, pilot and industrial refining to determine if the mechanical refining improves the enzymatic hydrolysis sugar conversion efficiency differently at different refining scales. Lab, pilot and industrial refining increased the biomass digestibility for lignocellulosic biomass relative to the unrefined material. The sugar conversion was increased from 36% to 65% at 5 FPU/g of biomass with industrial refining at 67.0 kWh/t, which was more energy efficient than lab and pilot scale refining. There is a maximum in the sugar conversion with respect to the amount of refining energy. Water retention value is a good predictor of improvements in sugar conversion for a given fiber source and composition. Improvements in biomass digestibility with refining due to lab, pilot plant and industrial refining were similar with respect to water retention value. Published by Elsevier Ltd.

Effect of pulsed current GTA welding parameters on the fusion zone microstructure of AA 6061 aluminium alloy

NASA Astrophysics Data System (ADS)

Kumar, T. Senthil; Balasubramanian, V.; Babu, S.; Sanavullah, M. Y.

2007-08-01

AA6061 aluminium alloy (Al-Mg-Si alloy) has gathered wide acceptance in the fabrication of food processing equipment, chemical containers, passenger cars, road tankers, and railway transport systems. The preferred process for welding these aluminium alloys is frequently Gas Tungsten Arc (GTA) welding due to its comparatively easy applicability and lower cost. In the case of single pass GTA welding of thinner sections of this alloy, the pulsed current has been found beneficial due to its advantages over the conventional continuous current processes. The use of pulsed current parameters has been found to improve the mechanical properties of the welds compared to those of continuous current welds of this alloy due to grain refinement occurring in the fusion zone. In this investigation, an attempt has been made to develop a mathematical model to predict the fusion zone grain diameter incorporating pulsed current welding parameters. Statistical tools such as design of experiments, analysis of variance, and regression analysis are used to develop the mathematical model. The developed model can be effectively used to predict the fusion grain diameter at a 95% confidence level for the given pulsed current parameters. The effect of pulsed current GTA welding parameters on the fusion zone grain diameter of AA 6061 aluminium alloy welds is reported in this paper.

Border-oriented post-processing refinement on detected vehicle bounding box for ADAS

NASA Astrophysics Data System (ADS)

Chen, Xinyuan; Zhang, Zhaoning; Li, Minne; Li, Dongsheng

2018-04-01

We investigate a new approach for improving localization accuracy of detected vehicles for object detection in advanced driver assistance systems(ADAS). Specifically, we implement a bounding box refinement as a post-processing of the state-of-the-art object detectors (Faster R-CNN, YOLOv2, etc.). The bounding box refinement is achieved by individually adjusting each border of the detected bounding box to its target location using a regression method. We use HOG features which perform well on the edge detection of vehicles to train the regressor and the regressor is independent of the CNN-based object detectors. Experiment results on the KITTI 2012 benchmark show that we can achieve up to 6% improvements over YOLOv2 and Faster R-CNN object detectors on the IoU threshold of 0.8. Also, the proposed refinement framework is computationally light, allowing for processing one bounding box within a few milliseconds on CPU. Further, this refinement method can be added to any object detectors, especially those with high speed but less accuracy.

Effect of Grain Refining on Defect Formation in DC Cast Al-Zn-Mg-Cu Alloy Billet

NASA Astrophysics Data System (ADS)

Nadella, Ravi; Eskin, Dmitry; Katgerman, Laurens

In direct chill (DC) casting, the effect of grain refining on the prominent defects such as hot cracking and macrosegregation remains poorly understood, especially for multi-component commercial aluminum alloys. In this work, DC casting experiments were conducted on a 7075 alloy with and without grain refining at two casting speeds. The grain refiner was introduced either in the launder or in the furnace. The concentration profiles of Zn, Cu and Mg, measured along the billet diameter, showed that the increasing casting speed raises the segregation levels but grain refining does not seem to have a noticeable effect. However, hot cracking tendency is significantly reduced with grain refining and it is observed that crack is terminated with the introduction of grain refiner at a lower casting speed. These experimental results are correlated with microstructural observations such as grain size and morphology, and the occurrence of floating grains.

i3Drefine software for protein 3D structure refinement and its assessment in CASP10.

PubMed

Bhattacharya, Debswapna; Cheng, Jianlin

2013-01-01

Protein structure refinement refers to the process of improving the qualities of protein structures during structure modeling processes to bring them closer to their native states. Structure refinement has been drawing increasing attention in the community-wide Critical Assessment of techniques for Protein Structure prediction (CASP) experiments since its addition in 8(th) CASP experiment. During the 9(th) and recently concluded 10(th) CASP experiments, a consistent growth in number of refinement targets and participating groups has been witnessed. Yet, protein structure refinement still remains a largely unsolved problem with majority of participating groups in CASP refinement category failed to consistently improve the quality of structures issued for refinement. In order to alleviate this need, we developed a completely automated and computationally efficient protein 3D structure refinement method, i3Drefine, based on an iterative and highly convergent energy minimization algorithm with a powerful all-atom composite physics and knowledge-based force fields and hydrogen bonding (HB) network optimization technique. In the recent community-wide blind experiment, CASP10, i3Drefine (as 'MULTICOM-CONSTRUCT') was ranked as the best method in the server section as per the official assessment of CASP10 experiment. Here we provide the community with free access to i3Drefine software and systematically analyse the performance of i3Drefine in strict blind mode on the refinement targets issued in CASP10 refinement category and compare with other state-of-the-art refinement methods participating in CASP10. Our analysis demonstrates that i3Drefine is only fully-automated server participating in CASP10 exhibiting consistent improvement over the initial structures in both global and local structural quality metrics. Executable version of i3Drefine is freely available at http://protein.rnet.missouri.edu/i3drefine/.

i3Drefine Software for Protein 3D Structure Refinement and Its Assessment in CASP10

PubMed Central

Bhattacharya, Debswapna; Cheng, Jianlin

2013-01-01

Protein structure refinement refers to the process of improving the qualities of protein structures during structure modeling processes to bring them closer to their native states. Structure refinement has been drawing increasing attention in the community-wide Critical Assessment of techniques for Protein Structure prediction (CASP) experiments since its addition in 8th CASP experiment. During the 9th and recently concluded 10th CASP experiments, a consistent growth in number of refinement targets and participating groups has been witnessed. Yet, protein structure refinement still remains a largely unsolved problem with majority of participating groups in CASP refinement category failed to consistently improve the quality of structures issued for refinement. In order to alleviate this need, we developed a completely automated and computationally efficient protein 3D structure refinement method, i3Drefine, based on an iterative and highly convergent energy minimization algorithm with a powerful all-atom composite physics and knowledge-based force fields and hydrogen bonding (HB) network optimization technique. In the recent community-wide blind experiment, CASP10, i3Drefine (as ‘MULTICOM-CONSTRUCT’) was ranked as the best method in the server section as per the official assessment of CASP10 experiment. Here we provide the community with free access to i3Drefine software and systematically analyse the performance of i3Drefine in strict blind mode on the refinement targets issued in CASP10 refinement category and compare with other state-of-the-art refinement methods participating in CASP10. Our analysis demonstrates that i3Drefine is only fully-automated server participating in CASP10 exhibiting consistent improvement over the initial structures in both global and local structural quality metrics. Executable version of i3Drefine is freely available at http://protein.rnet.missouri.edu/i3drefine/. PMID:23894517

Refining the Eye: Dermatology and Visual Literacy

ERIC Educational Resources Information Center

Zimmermann, Corinne; Huang, Jennifer T.; Buzney, Elizabeth A.

2016-01-01

In 2014 the Museum of Fine Arts Boston and Harvard Medical School began a partnership focused on building visual literacy skills for dermatology residents in the Harvard Combined Dermatology Residency Program. "Refining the Eye: Art and Dermatology", a four session workshop, took place in the museum's galleries and utilized the Visual…

Knowledge Acquisition, Knowledge Programming, and Knowledge Refinement.

ERIC Educational Resources Information Center

Hayes-Roth, Frederick; And Others

This report describes the principal findings and recommendations of a 2-year Rand research project on machine-aided knowledge acquisition and discusses the transfer of expertise from humans to machines, as well as the functions of planning, debugging, knowledge refinement, and autonomous machine learning. The relative advantages of humans and…

Refinement of the Iowa Self-Assessment Inventory.

ERIC Educational Resources Information Center

Morris, Woodrow W.; And Others

1990-01-01

Used two samples of older adults (N=1,153; N=420) in refinement of Iowa Self-Assessment Inventory (ISAI). Factor analyses resulted in modification of original 6-scale inventory to inventory of 7 scales: economic resources, anxiety/depression, physical health, alienation, mobility, cognitive status, and social support. The original ISAI was…

Re-refinement from deposited X-ray data can deliver improved models for most PDB entries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joosten, Robbie P.; Womack, Thomas; Vriend, Gert, E-mail: vriend@cmbi.ru.nl

2009-02-01

An evaluation of validation and real-space intervention possibilities for improving existing automated (re-)refinement methods. The deposition of X-ray data along with the customary structural models defining PDB entries makes it possible to apply large-scale re-refinement protocols to these entries, thus giving users the benefit of improvements in X-ray methods that have occurred since the structure was deposited. Automated gradient refinement is an effective method to achieve this goal, but real-space intervention is most often required in order to adequately address problems detected by structure-validation software. In order to improve the existing protocol, automated re-refinement was combined with structure validation andmore » difference-density peak analysis to produce a catalogue of problems in PDB entries that are amenable to automatic correction. It is shown that re-refinement can be effective in producing improvements, which are often associated with the systematic use of the TLS parameterization of B factors, even for relatively new and high-resolution PDB entries, while the accompanying manual or semi-manual map analysis and fitting steps show good prospects for eventual automation. It is proposed that the potential for simultaneous improvements in methods and in re-refinement results be further encouraged by broadening the scope of depositions to include refinement metadata and ultimately primary rather than reduced X-ray data.« less

Iterative refinement of structure-based sequence alignments by Seed Extension

PubMed Central

Kim, Changhoon; Tai, Chin-Hsien; Lee, Byungkook

2009-01-01

Background Accurate sequence alignment is required in many bioinformatics applications but, when sequence similarity is low, it is difficult to obtain accurate alignments based on sequence similarity alone. The accuracy improves when the structures are available, but current structure-based sequence alignment procedures still mis-align substantial numbers of residues. In order to correct such errors, we previously explored the possibility of replacing the residue-based dynamic programming algorithm in structure alignment procedures with the Seed Extension algorithm, which does not use a gap penalty. Here, we describe a new procedure called RSE (Refinement with Seed Extension) that iteratively refines a structure-based sequence alignment. Results RSE uses SE (Seed Extension) in its core, which is an algorithm that we reported recently for obtaining a sequence alignment from two superimposed structures. The RSE procedure was evaluated by comparing the correctly aligned fractions of residues before and after the refinement of the structure-based sequence alignments produced by popular programs. CE, DaliLite, FAST, LOCK2, MATRAS, MATT, TM-align, SHEBA and VAST were included in this analysis and the NCBI's CDD root node set was used as the reference alignments. RSE improved the average accuracy of sequence alignments for all programs tested when no shift error was allowed. The amount of improvement varied depending on the program. The average improvements were small for DaliLite and MATRAS but about 5% for CE and VAST. More substantial improvements have been seen in many individual cases. The additional computation times required for the refinements were negligible compared to the times taken by the structure alignment programs. Conclusion RSE is a computationally inexpensive way of improving the accuracy of a structure-based sequence alignment. It can be used as a standalone procedure following a regular structure-based sequence alignment or to replace the traditional

77 FR 52021 - Proposed CERCLA Administrative Settlement Agreement and Order on Consent for the Mercury Refining...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-28

... and Order on Consent for the Mercury Refining Superfund Site, Towns of Guilderland and Colonie, Albany... Management of Michigan, Inc. (hereafter ``Settling Parties'') pertaining to the Mercury Refining Superfund... Superfund Mercury Refining Superfund Site Special Account, which combined total $79,028.49. Each Settling...

Implementing technical refinement in high-level athletics: exploring the knowledge schemas of coaches.

PubMed

Kearney, Philip E; Carson, Howie J; Collins, Dave

2018-05-01

This paper explores the approaches adopted by high-level field athletics coaches when attempting to refine an athlete's already well-established technique (long and triple jump and javelin throwing). Six coaches, who had all coached multiple athletes to multiple major championships, took part in semi-structured interviews focused upon a recent example of technique refinement. Data were analysed using a thematic content analysis. The coaching tools reported were generally consistent with those advised by the existing literature, focusing on attaining "buy-in", utilising part-practice, restoring movement automaticity and securing performance under pressure. Five of the six coaches reported using a systematic sequence of stages to implement the refinement, although the number and content of these stages varied between them. Notably, however, there were no formal sources of knowledge (e.g., coach education or training) provided to inform coaches' decision making. Instead, coaches' decisions were largely based on experience both within and outside the sporting domain. Data offer a useful stimulus for reflection amongst sport practitioners confronted by the problem of technique refinement. Certainly the limited awareness of existing guidelines on technique refinement expressed by the coaches emphasises a need for further collaborative work by researchers and coach educators to disseminate best practice.

GRID: a high-resolution protein structure refinement algorithm.

PubMed

Chitsaz, Mohsen; Mayo, Stephen L

2013-03-05

The energy-based refinement of protein structures generated by fold prediction algorithms to atomic-level accuracy remains a major challenge in structural biology. Energy-based refinement is mainly dependent on two components: (1) sufficiently accurate force fields, and (2) efficient conformational space search algorithms. Focusing on the latter, we developed a high-resolution refinement algorithm called GRID. It takes a three-dimensional protein structure as input and, using an all-atom force field, attempts to improve the energy of the structure by systematically perturbing backbone dihedrals and side-chain rotamer conformations. We compare GRID to Backrub, a stochastic algorithm that has been shown to predict a significant fraction of the conformational changes that occur with point mutations. We applied GRID and Backrub to 10 high-resolution (≤ 2.8 Å) crystal structures from the Protein Data Bank and measured the energy improvements obtained and the computation times required to achieve them. GRID resulted in energy improvements that were significantly better than those attained by Backrub while expending about the same amount of computational resources. GRID resulted in relaxed structures that had slightly higher backbone RMSDs compared to Backrub relative to the starting crystal structures. The average RMSD was 0.25 ± 0.02 Å for GRID versus 0.14 ± 0.04 Å for Backrub. These relatively minor deviations indicate that both algorithms generate structures that retain their original topologies, as expected given the nature of the algorithms. Copyright © 2012 Wiley Periodicals, Inc.

Atomic modeling of cryo-electron microscopy reconstructions--joint refinement of model and imaging parameters.

PubMed

Chapman, Michael S; Trzynka, Andrew; Chapman, Brynmor K

2013-04-01

When refining the fit of component atomic structures into electron microscopic reconstructions, use of a resolution-dependent atomic density function makes it possible to jointly optimize the atomic model and imaging parameters of the microscope. Atomic density is calculated by one-dimensional Fourier transform of atomic form factors convoluted with a microscope envelope correction and a low-pass filter, allowing refinement of imaging parameters such as resolution, by optimizing the agreement of calculated and experimental maps. A similar approach allows refinement of atomic displacement parameters, providing indications of molecular flexibility even at low resolution. A modest improvement in atomic coordinates is possible following optimization of these additional parameters. Methods have been implemented in a Python program that can be used in stand-alone mode for rigid-group refinement, or embedded in other optimizers for flexible refinement with stereochemical restraints. The approach is demonstrated with refinements of virus and chaperonin structures at resolutions of 9 through 4.5 Å, representing regimes where rigid-group and fully flexible parameterizations are appropriate. Through comparisons to known crystal structures, flexible fitting by RSRef is shown to be an improvement relative to other methods and to generate models with all-atom rms accuracies of 1.5-2.5 Å at resolutions of 4.5-6 Å. Copyright © 2013 Elsevier Inc. All rights reserved.

Kinetics of Sub-Micron Grain Size Refinement in 9310 Steel

NASA Astrophysics Data System (ADS)

Kozmel, Thomas; Chen, Edward Y.; Chen, Charlie C.; Tin, Sammy

2014-05-01

Recent efforts have focused on the development of novel manufacturing processes capable of producing microstructures dominated by sub-micron grains. For structural applications, grain refinement has been shown to enhance mechanical properties such as strength, fatigue resistance, and fracture toughness. Through control of the thermo-mechanical processing parameters, dynamic recrystallization mechanisms were used to produce microstructures consisting of sub-micron grains in 9310 steel. Starting with initial bainitic grain sizes of 40 to 50 μm, various levels of grain refinement were observed following hot deformation of 9310 steel samples at temperatures and strain rates ranging from 755 K to 922 K (482 °C and 649 °C) and 1 to 0.001/s, respectively. The resulting deformation microstructures were characterized using scanning electron microscopy and electron backscatter diffraction techniques to quantify the extent of carbide coarsening and grain refinement occurring during deformation. Microstructural models based on the Zener-Holloman parameter were developed and modified to include the effect of the ferrite/carbide interactions within the system. These models were shown to effectively correlate microstructural attributes to the thermal mechanical processing parameters.

Object-based change detection method using refined Markov random field

NASA Astrophysics Data System (ADS)

Peng, Daifeng; Zhang, Yongjun

2017-01-01

In order to fully consider the local spatial constraints between neighboring objects in object-based change detection (OBCD), an OBCD approach is presented by introducing a refined Markov random field (MRF). First, two periods of images are stacked and segmented to produce image objects. Second, object spectral and textual histogram features are extracted and G-statistic is implemented to measure the distance among different histogram distributions. Meanwhile, object heterogeneity is calculated by combining spectral and textual histogram distance using adaptive weight. Third, an expectation-maximization algorithm is applied for determining the change category of each object and the initial change map is then generated. Finally, a refined change map is produced by employing the proposed refined object-based MRF method. Three experiments were conducted and compared with some state-of-the-art unsupervised OBCD methods to evaluate the effectiveness of the proposed method. Experimental results demonstrate that the proposed method obtains the highest accuracy among the methods used in this paper, which confirms its validness and effectiveness in OBCD.

PARAMESH: A Parallel Adaptive Mesh Refinement Community Toolkit

NASA Technical Reports Server (NTRS)

MacNeice, Peter; Olson, Kevin M.; Mobarry, Clark; deFainchtein, Rosalinda; Packer, Charles

1999-01-01

In this paper, we describe a community toolkit which is designed to provide parallel support with adaptive mesh capability for a large and important class of computational models, those using structured, logically cartesian meshes. The package of Fortran 90 subroutines, called PARAMESH, is designed to provide an application developer with an easy route to extend an existing serial code which uses a logically cartesian structured mesh into a parallel code with adaptive mesh refinement. Alternatively, in its simplest use, and with minimal effort, it can operate as a domain decomposition tool for users who want to parallelize their serial codes, but who do not wish to use adaptivity. The package can provide them with an incremental evolutionary path for their code, converting it first to uniformly refined parallel code, and then later if they so desire, adding adaptivity.

33 CFR 165.154 - Safety and Security Zones; Captain of the Port Long Island Sound Zone Safety and Security Zones.

Code of Federal Regulations, 2012 CFR

2012-07-01

...; Captain of the Port Long Island Sound Zone Safety and Security Zones. 165.154 Section 165.154 Navigation... Long Island Sound Zone Safety and Security Zones. The following areas are designated safety and... navigable waters of Long Island Sound, from surface to bottom, North and Northeast of a line running from...

33 CFR 165.154 - Safety and Security Zones: Long Island Sound Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Island Sound Marine Inspection Zone and Captain of the Port Zone. 165.154 Section 165.154 Navigation and... Areas First Coast Guard District § 165.154 Safety and Security Zones: Long Island Sound Marine... this zone is prohibited unless authorized by the Captain of the Port Long, Island Sound. (3) All...

40 CFR 80.1339 - Who is not eligible for the provisions for small refiners?

Code of Federal Regulations, 2014 CFR

2014-07-01

... (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Small Refiner... section, the refiner may not generate gasoline benzene credits under § 80.1275(b)(3) for any of its...

40 CFR 80.1339 - Who is not eligible for the provisions for small refiners?

Code of Federal Regulations, 2011 CFR

2011-07-01

... (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Small Refiner... section, the refiner may not generate gasoline benzene credits under § 80.1275(b)(3) for any of its...

40 CFR 80.1339 - Who is not eligible for the provisions for small refiners?

Code of Federal Regulations, 2013 CFR

2013-07-01

... (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Small Refiner... section, the refiner may not generate gasoline benzene credits under § 80.1275(b)(3) for any of its...

Biological production in the Indian Ocean upwelling zones - Part 1: refined estimation via the use of a variable compensation depth in ocean carbon models

NASA Astrophysics Data System (ADS)

Geethalekshmi Sreeush, Mohanan; Valsala, Vinu; Pentakota, Sreenivas; Venkata Siva Rama Prasad, Koneru; Murtugudde, Raghu

2018-04-01

Biological modelling approach adopted by the Ocean Carbon-Cycle Model Intercomparison Project (OCMIP-II) provided amazingly simple but surprisingly accurate rendition of the annual mean carbon cycle for the global ocean. Nonetheless, OCMIP models are known to have seasonal biases which are typically attributed to their bulk parameterisation of compensation depth. Utilising the criteria of surface Chl a-based attenuation of solar radiation and the minimum solar radiation required for production, we have proposed a new parameterisation for a spatially and temporally varying compensation depth which captures the seasonality in the production zone reasonably well. This new parameterisation is shown to improve the seasonality of CO2 fluxes, surface ocean pCO2, biological export and new production in the major upwelling zones of the Indian Ocean. The seasonally varying compensation depth enriches the nutrient concentration in the upper ocean yielding more faithful biological exports which in turn leads to accurate seasonality in the carbon cycle. The export production strengthens by ˜ 70 % over the western Arabian Sea during the monsoon period and achieves a good balance between export and new production in the model. This underscores the importance of having a seasonal balance in the model export and new productions for a better representation of the seasonality of the carbon cycle over upwelling regions. The study also implies that both the biological and solubility pumps play an important role in the Indian Ocean upwelling zones.

Constrained-transport Magnetohydrodynamics with Adaptive Mesh Refinement in CHARM

NASA Astrophysics Data System (ADS)

Miniati, Francesco; Martin, Daniel F.

2011-07-01

We present the implementation of a three-dimensional, second-order accurate Godunov-type algorithm for magnetohydrodynamics (MHD) in the adaptive-mesh-refinement (AMR) cosmological code CHARM. The algorithm is based on the full 12-solve spatially unsplit corner-transport-upwind (CTU) scheme. The fluid quantities are cell-centered and are updated using the piecewise-parabolic method (PPM), while the magnetic field variables are face-centered and are evolved through application of the Stokes theorem on cell edges via a constrained-transport (CT) method. The so-called multidimensional MHD source terms required in the predictor step for high-order accuracy are applied in a simplified form which reduces their complexity in three dimensions without loss of accuracy or robustness. The algorithm is implemented on an AMR framework which requires specific synchronization steps across refinement levels. These include face-centered restriction and prolongation operations and a reflux-curl operation, which maintains a solenoidal magnetic field across refinement boundaries. The code is tested against a large suite of test problems, including convergence tests in smooth flows, shock-tube tests, classical two- and three-dimensional MHD tests, a three-dimensional shock-cloud interaction problem, and the formation of a cluster of galaxies in a fully cosmological context. The magnetic field divergence is shown to remain negligible throughout.

On Correspondence of BRST-BFV, Dirac, and Refined Algebraic Quantizations of Constrained Systems

NASA Astrophysics Data System (ADS)

Shvedov, O. Yu.

2002-11-01

The correspondence between BRST-BFV, Dirac, and refined algebraic (group averaging, projection operator) approaches to quantizing constrained systems is analyzed. For the closed-algebra case, it is shown that the component of the BFV wave function corresponding to maximal (minimal) value of number of ghosts and antighosts in the Schrodinger representation may be viewed as a wave function in the refined algebraic (Dirac) quantization approach. The Giulini-Marolf group averaging formula for the inner product in the refined algebraic quantization approach is obtained from the Batalin-Marnelius prescription for the BRST-BFV inner product, which should be generally modified due to topological problems. The considered prescription for the correspondence of states is observed to be applicable to the open-algebra case. The refined algebraic quantization approach is generalized then to the case of nontrivial structure functions. A simple example is discussed. The correspondence of observables for different quantization methods is also investigated.

Application of Al-2La-1B Grain Refiner to Al-10Si-0.3Mg Casting Alloy

NASA Astrophysics Data System (ADS)

Jing, Lijun; Pan, Ye; Lu, Tao; Li, Chenlin; Pi, Jinhong; Sheng, Ningyue

2018-05-01

This paper reports the application and microstructure refining effect of an Al-2La-1B grain refiner in Al-10Si-0.3Mg casting alloy. Compared with the traditional Al-5Ti-1B refiner, Al-2La-1B refiner shows better performances on the grain refinement of Al-10Si-0.3Mg alloy. Transmission electron microscopy analysis suggests that the crystallite structure features of LaB6 are beneficial to the heterogeneous nucleation of α-Al grains. Regarding the mechanical performances, tensile properties of Al-10Si-0.3Mg casting alloy are prominently improved, due to the refined microstructures.

A genetically distinct hybrid zone occurs for two globally invasive mosquito fish species with striking phenotypic resemblance.

PubMed

Wilk, Rebecca J; Horth, Lisa

2016-12-01

Hybrid zones allow for the investigation of incipient speciation and related evolutionary processes of selection, gene flow, and migration. Interspecific dynamics, like competition, can impact the size, shape, and directional movement of species in hybrid zones. Hybrid zones contribute to a paradox for the biological species concept because interbreeding between species occurs while parental forms remain distinct. A long-standing zone of intergradation or introgression exists for eastern and western mosquito fish ( Gambusia holbrooki and G. affinis ) around Mobile Bay, AL. The region has been studied episodically, over decades, making it perfect for addressing temporal dynamics and for providing a deeper understanding of the genetics of these periodically reclassified fishes (as species or subspecies). We used six microsatellite markers to assess the current population structure and gene flow patterns across 19 populations of mosquito fish and then compared our results with historical data. Genetic evidence demonstrates that the current hybrid zone is located in a similar geographic region as the historical one, even after three decades. Hybrid fish, however, demonstrate relatively low heterozygosity and are genetically distinct from western and eastern mosquito fish populations. Fin ray counts, sometimes used to distinguish the two species from one another, demonstrate more eastern ( G. holbrooki) phenotype fish within the molecular genetic hybrid zone today. Mosquito fish are globally invasive, often found on the leading edge of flooded waters that they colonize, so the impact of hurricanes in the wake of climate change was also evaluated. An increase in the frequency and intensity of hurricanes in the hybrid region has occurred, and this point warrants further attention since hurricanes are known to move these aggressive, invasive species into novel territory. This work contributes to our classical understanding of hybrid zone temporal dynamics, refines our

A refined methodology for modeling volume quantification performance in CT

NASA Astrophysics Data System (ADS)

Chen, Baiyu; Wilson, Joshua; Samei, Ehsan

2014-03-01

The utility of CT lung nodule volume quantification technique depends on the precision of the quantification. To enable the evaluation of quantification precision, we previously developed a mathematical model that related precision to image resolution and noise properties in uniform backgrounds in terms of an estimability index (e'). The e' was shown to predict empirical precision across 54 imaging and reconstruction protocols, but with different correlation qualities for FBP and iterative reconstruction (IR) due to the non-linearity of IR impacted by anatomical structure. To better account for the non-linearity of IR, this study aimed to refine the noise characterization of the model in the presence of textured backgrounds. Repeated scans of an anthropomorphic lung phantom were acquired. Subtracted images were used to measure the image quantum noise, which was then used to adjust the noise component of the e' calculation measured from a uniform region. In addition to the model refinement, the validation of the model was further extended to 2 nodule sizes (5 and 10 mm) and 2 segmentation algorithms. Results showed that the magnitude of IR's quantum noise was significantly higher in structured backgrounds than in uniform backgrounds (ASiR, 30-50%; MBIR, 100-200%). With the refined model, the correlation between e' values and empirical precision no longer depended on reconstruction algorithm. In conclusion, the model with refined noise characterization relfected the nonlinearity of iterative reconstruction in structured background, and further showed successful prediction of quantification precision across a variety of nodule sizes, dose levels, slice thickness, reconstruction algorithms, and segmentation software.

Comprehensive Data Collected from the Petroleum Refining Sector

EPA Pesticide Factsheets

On April 1, 2011 EPA sent a comprehensive industry-wide information collection request (ICR) to all facilities in the U.S. petroleum refining industry. EPA has received this ICR data and compiled these data into databases and spreadsheets for the web

Overview of refinement procedures within REFMAC5: utilizing data from different sources.

PubMed

Kovalevskiy, Oleg; Nicholls, Robert A; Long, Fei; Carlon, Azzurra; Murshudov, Garib N

2018-03-01

Refinement is a process that involves bringing into agreement the structural model, available prior knowledge and experimental data. To achieve this, the refinement procedure optimizes a posterior conditional probability distribution of model parameters, including atomic coordinates, atomic displacement parameters (B factors), scale factors, parameters of the solvent model and twin fractions in the case of twinned crystals, given observed data such as observed amplitudes or intensities of structure factors. A library of chemical restraints is typically used to ensure consistency between the model and the prior knowledge of stereochemistry. If the observation-to-parameter ratio is small, for example when diffraction data only extend to low resolution, the Bayesian framework implemented in REFMAC5 uses external restraints to inject additional information extracted from structures of homologous proteins, prior knowledge about secondary-structure formation and even data obtained using different experimental methods, for example NMR. The refinement procedure also generates the `best' weighted electron-density maps, which are useful for further model (re)building. Here, the refinement of macromolecular structures using REFMAC5 and related tools distributed as part of the CCP4 suite is discussed.

Chiral pathways in DNA dinucleotides using gradient optimized refinement along metastable borders

NASA Astrophysics Data System (ADS)

Romano, Pablo; Guenza, Marina

We present a study of DNA breathing fluctuations using Markov state models (MSM) with our novel refinement procedure. MSM have become a favored method of building kinetic models, however their accuracy has always depended on using a significant number of microstates, making the method costly. We present a method which optimizes macrostates by refining borders with respect to the gradient along the free energy surface. As the separation between macrostates contains highest discretization errors, this method corrects for any errors produced by limited microstate sampling. Using our refined MSM methods, we investigate DNA breathing fluctuations, thermally induced conformational changes in native B-form DNA. Running several microsecond MD simulations of DNA dinucleotides of varying sequences, to include sequence and polarity effects, we've analyzed using our refined MSM to investigate conformational pathways inherent in the unstacking of DNA bases. Our kinetic analysis has shown preferential chirality in unstacking pathways that may be critical in how proteins interact with single stranded regions of DNA. These breathing dynamics can help elucidate the connection between conformational changes and key mechanisms within protein-DNA recognition. NSF Chemistry Division (Theoretical Chemistry), the Division of Physics (Condensed Matter: Material Theory), XSEDE.

Evolutionary Optimization of a Geometrically Refined Truss

NASA Technical Reports Server (NTRS)

Hull, P. V.; Tinker, M. L.; Dozier, G. V.

2007-01-01

Structural optimization is a field of research that has experienced noteworthy growth for many years. Researchers in this area have developed optimization tools to successfully design and model structures, typically minimizing mass while maintaining certain deflection and stress constraints. Numerous optimization studies have been performed to minimize mass, deflection, and stress on a benchmark cantilever truss problem. Predominantly traditional optimization theory is applied to this problem. The cross-sectional area of each member is optimized to minimize the aforementioned objectives. This Technical Publication (TP) presents a structural optimization technique that has been previously applied to compliant mechanism design. This technique demonstrates a method that combines topology optimization, geometric refinement, finite element analysis, and two forms of evolutionary computation: genetic algorithms and differential evolution to successfully optimize a benchmark structural optimization problem. A nontraditional solution to the benchmark problem is presented in this TP, specifically a geometrically refined topological solution. The design process begins with an alternate control mesh formulation, multilevel geometric smoothing operation, and an elastostatic structural analysis. The design process is wrapped in an evolutionary computing optimization toolset.

The hidden dynamics of relativistic electrons (0.7-1.5 MeV) in the inner zone and slot region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Claudepierre, Seth G.; O'Brien, T. P.; Fennell, J. F.

We present measurements of relativistic electrons (0.7–1.5 MeV) in the inner zone and slot region obtained by the Magnetic Electron and Ion Spectrometer (MagEIS) instrument on Van Allen Probes. The data presented are corrected for background contamination, which is primarily due to inner-belt protons in these low-L regions. We find that ~1 MeV electrons were transported into the inner zone following the two largest geomagnetic storms of the Van Allen Probes era to date, the March and June 2015 events. As ~1 MeV electrons were not observed in Van Allen Probes data in the inner zone prior to these twomore » events, the injections created a new inner belt that persisted for at least 1.5 years. In contrast, we find that electrons injected into the slot region decay on much faster timescales, approximately tens of days. Furthermore, we find no evidence of >1.5 MeV electrons in the inner zone during the entire time interval considered (April 2013 through September 2016). The energies we examine thus span a transition range in the steeply falling inner zone electron spectrum, where modest intensities are observed at 0.7 MeV, and no electrons are observed at 1.5 MeV. To validate the results obtained from the background corrected flux measurements, we also present detailed pulse-height spectra from individual MagEIS detectors. These measurements confirm our results and also reveal low-intensity inner zone and slot region electrons that are not captured in the standard background corrected data product. Lastly, we briefly discuss efforts to refine the upper limit of inner zone MeV electron flux obtained in earlier work.« less

The hidden dynamics of relativistic electrons (0.7-1.5 MeV) in the inner zone and slot region

DOE PAGES

Claudepierre, Seth G.; O'Brien, T. P.; Fennell, J. F.; ...

2017-03-15

We present measurements of relativistic electrons (0.7–1.5 MeV) in the inner zone and slot region obtained by the Magnetic Electron and Ion Spectrometer (MagEIS) instrument on Van Allen Probes. The data presented are corrected for background contamination, which is primarily due to inner-belt protons in these low-L regions. We find that ~1 MeV electrons were transported into the inner zone following the two largest geomagnetic storms of the Van Allen Probes era to date, the March and June 2015 events. As ~1 MeV electrons were not observed in Van Allen Probes data in the inner zone prior to these twomore » events, the injections created a new inner belt that persisted for at least 1.5 years. In contrast, we find that electrons injected into the slot region decay on much faster timescales, approximately tens of days. Furthermore, we find no evidence of >1.5 MeV electrons in the inner zone during the entire time interval considered (April 2013 through September 2016). The energies we examine thus span a transition range in the steeply falling inner zone electron spectrum, where modest intensities are observed at 0.7 MeV, and no electrons are observed at 1.5 MeV. To validate the results obtained from the background corrected flux measurements, we also present detailed pulse-height spectra from individual MagEIS detectors. These measurements confirm our results and also reveal low-intensity inner zone and slot region electrons that are not captured in the standard background corrected data product. Lastly, we briefly discuss efforts to refine the upper limit of inner zone MeV electron flux obtained in earlier work.« less

Purification and Crystal Growth of Lead Iodide by Physical Vapor Transport Method

NASA Technical Reports Server (NTRS)

Wright, G. W.; Cole, M.; Chen, Y.-F.; Chen, K.-T.; Chen, H.; Chattopadhyay, K.; Burger, A.

1998-01-01

Lead iodide (PbI2) is a layered compound semiconductor being developed as room temperature x- and gamma-ray detector. Compared to the more studied material, mercuric iodide, PbI2 has a higher melting temperature and no phase transition until liquid phase which are indications of better mechanical properties. In this study, the source material was purified by the zone-refining process, and the purest section was extracted from center of the the zone-refined ingot to be grown by physical vapor transport (PVT) method. The zone-refined material and as-grown crystals were characterized by optical microscopy and differential scanning calorimetry (DSC) to reveal the surface morphology, purity and stoichiometry. The results shows that both materials are near-stoichiometric composition, with the purity of the as-grown crystals higher than zone-refined materials. The resistivity of the as-grown crystal (10" Omega-cm) was derived from current-voltage (I-V) measurement, and is 10 times higher than the zone-refined materials. Detail results will be presented and discussed.

76 FR 22033 - Safety Zone; Red River Safety Zone, Red River, MN

Federal Register 2010, 2011, 2012, 2013, 2014

2011-04-20

...-AAOO Safety Zone; Red River Safety Zone, Red River, MN AGENCY: Coast Guard, DHS. ACTION: Temporary... a temporary safety zone on the Red River, MN. This safety zone is being established to ensure the... Red River in the State of Minnesota north of a line drawn across latitude 46[deg]20'00'' N, including...

Zone lines

Treesearch

Kevin T. Smith

2001-01-01

Zone lines are narrow, usually dark markings formed in decaying wood. Zone lines are found most frequently in advanced white rot of hardwoods, although they occasionally are associated both with brown rot and with softwoods.

Evaluating and Refining High Throughput Tools for Toxicokinetics

EPA Science Inventory

This poster summarizes efforts of the Chemical Safety for Sustainability's Rapid Exposure and Dosimetry (RED) team to facilitate the development and refinement of toxicokinetics (TK) tools to be used in conjunction with the high throughput toxicity testing data generated as a par...

Precipitation process in a Mg–Gd–Y alloy grain-refined by Al addition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dai, Jichun; CAST Cooperative Research Centre, Department of Materials Engineering, Monash University, Victoria 3800; Zhu, Suming, E-mail: suming.zhu@monash.edu

2014-02-15

The precipitation process in Mg–10Gd–3Y (wt.%) alloy grain-refined by 0.8 wt.% Al addition has been investigated by transmission electron microscopy. The alloy was given a solution treatment at 520 °C for 6 h plus 550 °C for 7 h before ageing at 250 °C. Plate-shaped intermetallic particles with the 18R-type long-period stacking ordered structure were observed in the solution-treated state. Upon isothermal ageing at 250 °C, the following precipitation sequence was identified for the α-Mg supersaturated solution: β″ (D0{sub 19}) → β′ (bco) → β{sub 1} (fcc) → β (fcc). The observed precipitation process and age hardening response in themore » Al grain-refined Mg–10Gd–3Y alloy are compared with those reported in the Zr grain-refined counterpart. - Highlights: • The precipitation process in Mg–10Gd–3Y–0.8Al (wt.%) alloy has been investigated. • Particles with the 18R-type LPSO structure were observed in the solution state. • Upon ageing at 250 °C, the precipitation sequence is: β″ → β′ → β1 (fcc) → β. • The Al grain-refined alloy has a lower hardness than the Zr refined counterpart.« less

Re-refinement from deposited X-ray data can deliver improved models for most PDB entries.

PubMed

Joosten, Robbie P; Womack, Thomas; Vriend, Gert; Bricogne, Gérard

2009-02-01

The deposition of X-ray data along with the customary structural models defining PDB entries makes it possible to apply large-scale re-refinement protocols to these entries, thus giving users the benefit of improvements in X-ray methods that have occurred since the structure was deposited. Automated gradient refinement is an effective method to achieve this goal, but real-space intervention is most often required in order to adequately address problems detected by structure-validation software. In order to improve the existing protocol, automated re-refinement was combined with structure validation and difference-density peak analysis to produce a catalogue of problems in PDB entries that are amenable to automatic correction. It is shown that re-refinement can be effective in producing improvements, which are often associated with the systematic use of the TLS parameterization of B factors, even for relatively new and high-resolution PDB entries, while the accompanying manual or semi-manual map analysis and fitting steps show good prospects for eventual automation. It is proposed that the potential for simultaneous improvements in methods and in re-refinement results be further encouraged by broadening the scope of depositions to include refinement metadata and ultimately primary rather than reduced X-ray data.

40 CFR 80.1285 - How does a refiner apply for a benzene baseline?

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 16 2010-07-01 2010-07-01 false How does a refiner apply for a benzene... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Averaging, Banking and Trading (abt) Program § 80.1285 How does a refiner apply for a benzene baseline? (a) A benzene baseline...

40 CFR 80.1285 - How does a refiner apply for a benzene baseline?

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 17 2012-07-01 2012-07-01 false How does a refiner apply for a benzene... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Averaging, Banking and Trading (abt) Program § 80.1285 How does a refiner apply for a benzene baseline? (a) A benzene baseline...

40 CFR 80.1285 - How does a refiner apply for a benzene baseline?

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 17 2014-07-01 2014-07-01 false How does a refiner apply for a benzene... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Averaging, Banking and Trading (abt) Program § 80.1285 How does a refiner apply for a benzene baseline? (a) A benzene baseline...

40 CFR 80.1285 - How does a refiner apply for a benzene baseline?

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 16 2011-07-01 2011-07-01 false How does a refiner apply for a benzene... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Averaging, Banking and Trading (abt) Program § 80.1285 How does a refiner apply for a benzene baseline? (a) A benzene baseline...

40 CFR 80.1285 - How does a refiner apply for a benzene baseline?

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 17 2013-07-01 2013-07-01 false How does a refiner apply for a benzene... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Averaging, Banking and Trading (abt) Program § 80.1285 How does a refiner apply for a benzene baseline? (a) A benzene baseline...

40 CFR 80.290 - How does a refiner apply for a sulfur baseline?

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 17 2014-07-01 2014-07-01 false How does a refiner apply for a sulfur... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Averaging, Banking and Trading (abt) Program-General Information § 80.290 How does a refiner apply for a sulfur baseline? (a) The...

40 CFR 80.290 - How does a refiner apply for a sulfur baseline?

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 16 2010-07-01 2010-07-01 false How does a refiner apply for a sulfur... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Averaging, Banking and Trading (abt) Program-General Information § 80.290 How does a refiner apply for a sulfur baseline? (a) The...

40 CFR 80.290 - How does a refiner apply for a sulfur baseline?

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 16 2011-07-01 2011-07-01 false How does a refiner apply for a sulfur... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Averaging, Banking and Trading (abt) Program-General Information § 80.290 How does a refiner apply for a sulfur baseline? (a) The...

40 CFR 80.290 - How does a refiner apply for a sulfur baseline?

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 17 2012-07-01 2012-07-01 false How does a refiner apply for a sulfur... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Averaging, Banking and Trading (abt) Program-General Information § 80.290 How does a refiner apply for a sulfur baseline? (a) The...

40 CFR 80.290 - How does a refiner apply for a sulfur baseline?

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 17 2013-07-01 2013-07-01 false How does a refiner apply for a sulfur... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Averaging, Banking and Trading (abt) Program-General Information § 80.290 How does a refiner apply for a sulfur baseline? (a) The...

Comparison of local grid refinement methods for MODFLOW

USGS Publications Warehouse

Mehl, S.; Hill, M.C.; Leake, S.A.

2006-01-01

Many ground water modeling efforts use a finite-difference method to solve the ground water flow equation, and many of these models require a relatively fine-grid discretization to accurately represent the selected process in limited areas of interest. Use of a fine grid over the entire domain can be computationally prohibitive; using a variably spaced grid can lead to cells with a large aspect ratio and refinement in areas where detail is not needed. One solution is to use local-grid refinement (LGR) whereby the grid is only refined in the area of interest. This work reviews some LGR methods and identifies advantages and drawbacks in test cases using MODFLOW-2000. The first test case is two dimensional and heterogeneous; the second is three dimensional and includes interaction with a meandering river. Results include simulations using a uniform fine grid, a variably spaced grid, a traditional method of LGR without feedback, and a new shared node method with feedback. Discrepancies from the solution obtained with the uniform fine grid are investigated. For the models tested, the traditional one-way coupled approaches produced discrepancies in head up to 6.8% and discrepancies in cell-to-cell fluxes up to 7.1%, while the new method has head and cell-to-cell flux discrepancies of 0.089% and 0.14%, respectively. Additional results highlight the accuracy, flexibility, and CPU time trade-off of these methods and demonstrate how the new method can be successfully implemented to model surface water-ground water interactions. Copyright ?? 2006 The Author(s).

Providing plastic zone extrusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Manchiraju, Venkata Kiran; Feng, Zhili; David, Stan A.

Plastic zone extrusion may be provided. First, a compressor may generate frictional heat in stock to place the stock in a plastic zone of the stock. Then, a conveyer may receive the stock in its plastic zone from the compressor and transport the stock in its plastic zone from the compressor. Next, a die may receive the stock in its plastic zone from the conveyer and extrude the stock to form a wire.

AIR EMISSIONS FROM COMBUSTION OF SOLVENT REFINED COAL

EPA Science Inventory

The report gives details of a Solvent Refined Coal (SRC) combustion test at Georgia Power Company's Plant Mitchell, March, May, and June 1977. Flue gas samples were collected for modified EPA Level 1 analysis; analytical results are reported. Air emissions from the combustion of ...

Refining Students' Explanations of an Unfamiliar Physical Phenomenon-Microscopic Friction

NASA Astrophysics Data System (ADS)

Corpuz, Edgar De Guzman; Rebello, N. Sanjay

2017-08-01

The first phase of this multiphase study involves modeling of college students' thinking of friction at the microscopic level. Diagnostic interviews were conducted with 11 students with different levels of physics backgrounds. A phenomenographic approach of data analysis was used to generate categories of responses which subsequently were used to generate a model of explanation. Most of the students interviewed consistently used mechanical interactions in explaining microscopic friction. According to these students, friction is due to the interlocking or rubbing of atoms. Our data suggest that students' explanations of microscopic friction are predominantly influenced by their macroscopic experiences. In the second phase of the research, teaching experiment was conducted with 18 college students to investigate how students' explanations of microscopic friction can be refined by a series of model-building activities. Data were analyzed using Redish's two-level transfer framework. Our results show that through sequences of hands-on and minds-on activities, including cognitive dissonance and resolution, it is possible to facilitate the refinement of students' explanations of microscopic friction. The activities seemed to be productive in helping students activate associations that refine their ideas about microscopic friction.

Analysis and improvements of Adaptive Particle Refinement (APR) through CPU time, accuracy and robustness considerations

NASA Astrophysics Data System (ADS)

Chiron, L.; Oger, G.; de Leffe, M.; Le Touzé, D.

2018-02-01

While smoothed-particle hydrodynamics (SPH) simulations are usually performed using uniform particle distributions, local particle refinement techniques have been developed to concentrate fine spatial resolutions in identified areas of interest. Although the formalism of this method is relatively easy to implement, its robustness at coarse/fine interfaces can be problematic. Analysis performed in [16] shows that the radius of refined particles should be greater than half the radius of unrefined particles to ensure robustness. In this article, the basics of an Adaptive Particle Refinement (APR) technique, inspired by AMR in mesh-based methods, are presented. This approach ensures robustness with alleviated constraints. Simulations applying the new formalism proposed achieve accuracy comparable to fully refined spatial resolutions, together with robustness, low CPU times and maintained parallel efficiency.

40 CFR 80.1652 - Reporting requirements for gasoline refiners, gasoline importers, oxygenate producers, and...

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 17 2014-07-01 2014-07-01 false Reporting requirements for gasoline refiners, gasoline importers, oxygenate producers, and oxygenate importers. 80.1652 Section 80.1652... FUELS AND FUEL ADDITIVES Gasoline Sulfur § 80.1652 Reporting requirements for gasoline refiners...

Grain refinement of high strength steels to improve cryogenic toughness

NASA Technical Reports Server (NTRS)

Rush, H. F.

1985-01-01

Grain-refining techniques using multistep heat treatments to reduce the grain size of five commercial high-strength steels were investigated. The goal of this investigation was to improve the low-temperature toughness as measured by Charpy V-notch impact test without a significant loss in tensile strength. The grain size of four of five alloys investigated was successfully reduced up to 1/10 of original size or smaller with increases in Charpy impact energy of 50 to 180 percent at -320 F. Tensile properties were reduced from 0 to 25 percent for the various alloys tested. An unexpected but highly beneficial side effect from grain refining was improved machinability.

COMET-AR User's Manual: COmputational MEchanics Testbed with Adaptive Refinement

NASA Technical Reports Server (NTRS)

Moas, E. (Editor)

1997-01-01

The COMET-AR User's Manual provides a reference manual for the Computational Structural Mechanics Testbed with Adaptive Refinement (COMET-AR), a software system developed jointly by Lockheed Palo Alto Research Laboratory and NASA Langley Research Center under contract NAS1-18444. The COMET-AR system is an extended version of an earlier finite element based structural analysis system called COMET, also developed by Lockheed and NASA. The primary extensions are the adaptive mesh refinement capabilities and a new "object-like" database interface that makes COMET-AR easier to extend further. This User's Manual provides a detailed description of the user interface to COMET-AR from the viewpoint of a structural analyst.

Adaptive mesh refinement and front-tracking for shear bands in an antiplane shear model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garaizar, F.X.; Trangenstein, J.

1998-09-01

In this paper the authors describe a numerical algorithm for the study of hear-band formation and growth in a two-dimensional antiplane shear of granular materials. The algorithm combines front-tracking techniques and adaptive mesh refinement. Tracking provides a more careful evolution of the band when coupled with special techniques to advance the ends of the shear band in the presence of a loss of hyperbolicity. The adaptive mesh refinement allows the computational effort to be concentrated in important areas of the deformation, such as the shear band and the elastic relief wave. The main challenges are the problems related to shearmore » bands that extend across several grid patches and the effects that a nonhyperbolic growth rate of the shear bands has in the refinement process. They give examples of the success of the algorithm for various levels of refinement.« less

Fault zone hydrogeology

NASA Astrophysics Data System (ADS)

Bense, V. F.; Gleeson, T.; Loveless, S. E.; Bour, O.; Scibek, J.

2013-12-01

Deformation along faults in the shallow crust (< 1 km) introduces permeability heterogeneity and anisotropy, which has an important impact on processes such as regional groundwater flow, hydrocarbon migration, and hydrothermal fluid circulation. Fault zones have the capacity to be hydraulic conduits connecting shallow and deep geological environments, but simultaneously the fault cores of many faults often form effective barriers to flow. The direct evaluation of the impact of faults to fluid flow patterns remains a challenge and requires a multidisciplinary research effort of structural geologists and hydrogeologists. However, we find that these disciplines often use different methods with little interaction between them. In this review, we document the current multi-disciplinary understanding of fault zone hydrogeology. We discuss surface- and subsurface observations from diverse rock types from unlithified and lithified clastic sediments through to carbonate, crystalline, and volcanic rocks. For each rock type, we evaluate geological deformation mechanisms, hydrogeologic observations and conceptual models of fault zone hydrogeology. Outcrop observations indicate that fault zones commonly have a permeability structure suggesting they should act as complex conduit-barrier systems in which along-fault flow is encouraged and across-fault flow is impeded. Hydrogeological observations of fault zones reported in the literature show a broad qualitative agreement with outcrop-based conceptual models of fault zone hydrogeology. Nevertheless, the specific impact of a particular fault permeability structure on fault zone hydrogeology can only be assessed when the hydrogeological context of the fault zone is considered and not from outcrop observations alone. To gain a more integrated, comprehensive understanding of fault zone hydrogeology, we foresee numerous synergistic opportunities and challenges for the discipline of structural geology and hydrogeology to co-evolve and

Post-treatment mechanical refining as a method to improve overall sugar recovery of steam pretreated hybrid poplar.

PubMed

Dou, Chang; Ewanick, Shannon; Bura, Renata; Gustafson, Rick

2016-05-01

This study investigates the effect of mechanical refining to improve the sugar yield from biomass processed under a wide range of steam pretreatment conditions. Hybrid poplar chips were steam pretreated using six different conditions with or without SO2. The resulting water insoluble fractions were subjected to mechanical refining. After refining, poplar pretreated at 205°C for 10min without SO2 obtained a 32% improvement in enzymatic hydrolysis and achieved similar overall monomeric sugar recovery (539kg/tonne) to samples pretreated with SO2. Refining did not improve hydrolyzability of samples pretreated at more severe conditions, nor did it improve the overall sugar recovery. By maximizing overall sugar recovery, refining could partially decouple the pretreatment from other unit operations, and enable the use of low temperature, non-sulfur pretreatment conditions. The study demonstrates the possibility of using post-treatment refining to accommodate potential pretreatment process upsets without sacrificing sugar yields. Copyright © 2016 Elsevier Ltd. All rights reserved.

Refining economics of U.S. gasoline: octane ratings and ethanol content.

PubMed

Hirshfeld, David S; Kolb, Jeffrey A; Anderson, James E; Studzinski, William; Frusti, James

2014-10-07

Increasing the octane rating of the U.S. gasoline pool (currently ∼ 93 Research Octane Number (RON)) would enable higher engine efficiency for light-duty vehicles (e.g., through higher compression ratio), facilitating compliance with federal fuel economy and greenhouse gas (GHG) emissions standards. The federal Renewable Fuels Standard calls for increased renewable fuel use in U.S. gasoline, primarily ethanol, a high-octane gasoline component. Linear programming modeling of the U.S. refining sector was used to assess the effects on refining economics, CO2 emissions, and crude oil use of increasing average octane rating by increasing (i) the octane rating of refinery-produced hydrocarbon blendstocks for oxygenate blending (BOBs) and (ii) the volume fraction (Exx) of ethanol in finished gasoline. The analysis indicated the refining sector could produce BOBs yielding finished E20 and E30 gasolines with higher octane ratings at modest additional refining cost, for example, ∼ 1¢/gal for 95-RON E20 or 97-RON E30, and 3-5¢/gal for 95-RON E10, 98-RON E20, or 100-RON E30. Reduced BOB volume (from displacement by ethanol) and lower BOB octane could (i) lower refinery CO2 emissions (e.g., ∼ 3% for 98-RON E20, ∼ 10% for 100-RON E30) and (ii) reduce crude oil use (e.g., ∼ 3% for 98-RON E20, ∼ 8% for 100-RON E30).

Recycling of Magnesium Alloy Employing Refining and Solid Oxide Membrane (SOM) Electrolysis

NASA Astrophysics Data System (ADS)

Guan, Xiaofei; Zink, Peter A.; Pal, Uday B.; Powell, Adam C.

2013-04-01

Pure magnesium was recycled from partially oxidized 50.5 wt pct Mg-Al scrap alloy and AZ91 Mg alloy (9 wt pct Al, 1 wt pct Zn). Refining experiments were performed using a eutectic mixture of MgF2-CaF2 molten salt (flux). During the experiments, potentiodynamic scans were performed to determine the electrorefining potentials for magnesium dissolution and magnesium bubble nucleation in the flux. The measured electrorefining potential for magnesium bubble nucleation increased over time as the magnesium content inside the magnesium alloy decreased. Potentiostatic holds and electrochemical impedance spectroscopy were employed to measure the electronic and ionic resistances of the flux. The electronic resistivity of the flux varied inversely with the magnesium solubility. Up to 100 pct of the magnesium was refined from the Mg-Al scrap alloy by dissolving magnesium and its oxide into the flux followed by argon-assisted evaporation of dissolved magnesium and subsequently condensing the magnesium vapor. Solid oxide membrane electrolysis was also employed in the system to enable additional magnesium recovery from magnesium oxide in the partially oxidized Mg-Al scrap. In an experiment employing AZ91 Mg alloy, only the refining step was carried out. The calculated refining yield of magnesium from the AZ91 alloy was near 100 pct.

Refinement of protein termini in template-based modeling using conformational space annealing.

PubMed

Park, Hahnbeom; Ko, Junsu; Joo, Keehyoung; Lee, Julian; Seok, Chaok; Lee, Jooyoung

2011-09-01

The rapid increase in the number of experimentally determined protein structures in recent years enables us to obtain more reliable protein tertiary structure models than ever by template-based modeling. However, refinement of template-based models beyond the limit available from the best templates is still needed for understanding protein function in atomic detail. In this work, we develop a new method for protein terminus modeling that can be applied to refinement of models with unreliable terminus structures. The energy function for terminus modeling consists of both physics-based and knowledge-based potential terms with carefully optimized relative weights. Effective sampling of both the framework and terminus is performed using the conformational space annealing technique. This method has been tested on a set of termini derived from a nonredundant structure database and two sets of termini from the CASP8 targets. The performance of the terminus modeling method is significantly improved over our previous method that does not employ terminus refinement. It is also comparable or superior to the best server methods tested in CASP8. The success of the current approach suggests that similar strategy may be applied to other types of refinement problems such as loop modeling or secondary structure rearrangement. Copyright © 2011 Wiley-Liss, Inc.

Combining Techniques to Refine Item to Skills Q-Matrices with a Partition Tree

ERIC Educational Resources Information Center

Desmarais, Michel C.; Xu, Peng; Beheshti, Behzad

2015-01-01

The problem of mapping items to skills is gaining interest with the emergence of recent techniques that can use data for both defining this mapping, and for refining mappings given by experts. We investigate the problem of refining mapping from an expert by combining the output of different techniques. The combination is based on a partition tree…

Petroleum mineral oil refining and evaluation of cancer hazard.

PubMed

Mackerer, Carl R; Griffis, Larry C; Grabowski, John S; Reitman, Fred A

2003-11-01

Petroleum base oils (petroleum mineral oils) are manufactured from crude oils by vacuum distillation to produce several distillates and a residual oil that are then further refined. Aromatics including alkylated polycyclic aromatic compounds (PAC) are undesirable constituents of base oils because they are deleterious to product performance and are potentially carcinogenic. In modern base oil refining, aromatics are reduced by solvent extraction, catalytic hydrotreating, or hydrocracking. Chronic exposure to poorly refined base oils has the potential to cause skin cancer. A chronic mouse dermal bioassay has been the standard test for estimating carcinogenic potential of mineral oils. The level of alkylated 3-7-ring PAC in raw streams from the vacuum tower must be greatly reduced to render the base oil noncarcinogenic. The processes that can reduce PAC levels are known, but the operating conditions for the processing units (e.g., temperature, pressure, catalyst type, residence time in the unit, unit engineering design, etc.) needed to achieve adequate PAC reduction are refinery specific. Chronic dermal bioassays provide information about whether conditions applied can make a noncarcinogenic oil, but cannot be used to monitor current production for quality control or for conducting research or developing new processes since this test takes at least 78 weeks to conduct. Three short-term, non-animal assays all involving extraction of oil with dimethylsulfoxide (DMSO) have been validated for predicting potential carcinogenic activity of petroleum base oils: a modified Ames assay of a DMSO extract, a gravimetric assay (IP 346) for wt. percent of oil extracted into DMSO, and a GC-FID assay measuring 3-7-ring PAC content in a DMSO extract of oil, expressed as percent of the oil. Extraction with DMSO concentrates PAC in a manner that mimics the extraction method used in the solvent refining of noncarcinogenic oils. The three assays are described, data demonstrating the

40 CFR 80.330 - What are the sampling and testing requirements for refiners and importers?

Code of Federal Regulations, 2013 CFR

2013-07-01

... an exemption under this section, upon notification from EPA, the refiner's exemption will be void ab initio. (b) Sampling methods. For purposes of paragraph (a) of this section, refiners and importers shall...

40 CFR 80.330 - What are the sampling and testing requirements for refiners and importers?

Code of Federal Regulations, 2011 CFR

2011-07-01

... an exemption under this section, upon notification from EPA, the refiner's exemption will be void ab initio. (b) Sampling methods. For purposes of paragraph (a) of this section, refiners and importers shall...

40 CFR 80.330 - What are the sampling and testing requirements for refiners and importers?

Code of Federal Regulations, 2012 CFR

2012-07-01

... an exemption under this section, upon notification from EPA, the refiner's exemption will be void ab initio. (b) Sampling methods. For purposes of paragraph (a) of this section, refiners and importers shall...

40 CFR 80.330 - What are the sampling and testing requirements for refiners and importers?

Code of Federal Regulations, 2014 CFR

2014-07-01

... an exemption under this section, upon notification from EPA, the refiner's exemption will be void ab initio. (b) Sampling methods. For purposes of paragraph (a) of this section, refiners and importers shall...

40 CFR 80.330 - What are the sampling and testing requirements for refiners and importers?

Code of Federal Regulations, 2010 CFR

2010-07-01

... an exemption under this section, upon notification from EPA, the refiner's exemption will be void ab initio. (b) Sampling methods. For purposes of paragraph (a) of this section, refiners and importers shall...

Chemical and physical aspects of refining coal liquids

NASA Astrophysics Data System (ADS)

Shah, Y. T.; Stiegel, G. J.; Krishnamurthy, S.

1981-02-01

Increasing costs and declining reserves of petroleum are forcing oil importing countries to develop alternate energy sources. The direct liquefaction of coal is currently being investigated as a viable means of producing substitute liquid fuels. The coal liquids derived from such processes are typically high in nitrogen, oxygen and sulfur besides having a high aromatic and metals content. It is therefore envisaged that modifications to existing petroleum refining technology will be necessary in order to economically upgrade coal liquids. In this review, compositional data for various coal liquids are presented and compared with those for petroleum fuels. Studies reported on the stability of coal liquids are discussed. The feasibility of processing blends of coal liquids with petroleum feedstocks in existing refineries is evaluated. The chemistry of hydroprocessing is discussed through kinetic and mechanistic studies using compounds which are commonly detected in coal liquids. The pros and cons of using conventional petroleum refining catalysts for upgrading coal liquids are discussed.

Tsunami modelling with adaptively refined finite volume methods

USGS Publications Warehouse

LeVeque, R.J.; George, D.L.; Berger, M.J.

2011-01-01

Numerical modelling of transoceanic tsunami propagation, together with the detailed modelling of inundation of small-scale coastal regions, poses a number of algorithmic challenges. The depth-averaged shallow water equations can be used to reduce this to a time-dependent problem in two space dimensions, but even so it is crucial to use adaptive mesh refinement in order to efficiently handle the vast differences in spatial scales. This must be done in a 'wellbalanced' manner that accurately captures very small perturbations to the steady state of the ocean at rest. Inundation can be modelled by allowing cells to dynamically change from dry to wet, but this must also be done carefully near refinement boundaries. We discuss these issues in the context of Riemann-solver-based finite volume methods for tsunami modelling. Several examples are presented using the GeoClaw software, and sample codes are available to accompany the paper. The techniques discussed also apply to a variety of other geophysical flows. ?? 2011 Cambridge University Press.

Seed zones and breeding zones for sugar pine in southwestern Oregon.

Treesearch

Robert K. Campbell; Albert I. Sugano

1987-01-01

Provisional seed zones and breeding zones were developed for sugar pine (Pinus lambertiana Dougl.) in southwestern Oregon. Zones are based on a map of genetic variation patterns obtained by evaluating genotypes of trees from 142 locations in the region. Genotypes controlling growth vigor and growth rhythm were assessed in a common garden. Within...

40 CFR 80.245 - How does a small refiner apply for a sulfur baseline?

Code of Federal Regulations, 2011 CFR

2011-07-01

... sulfur baseline? 80.245 Section 80.245 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.245 How does a small refiner apply for a sulfur baseline? (a) Any refiner seeking small...

40 CFR 80.245 - How does a small refiner apply for a sulfur baseline?

Code of Federal Regulations, 2014 CFR

2014-07-01

... sulfur baseline? 80.245 Section 80.245 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.245 How does a small refiner apply for a sulfur baseline? (a) Any refiner seeking small...

40 CFR 80.245 - How does a small refiner apply for a sulfur baseline?

Code of Federal Regulations, 2010 CFR

2010-07-01

... sulfur baseline? 80.245 Section 80.245 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.245 How does a small refiner apply for a sulfur baseline? (a) Any refiner seeking small...

40 CFR 80.245 - How does a small refiner apply for a sulfur baseline?

Code of Federal Regulations, 2013 CFR

2013-07-01

... sulfur baseline? 80.245 Section 80.245 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.245 How does a small refiner apply for a sulfur baseline? (a) Any refiner seeking small...

40 CFR 80.245 - How does a small refiner apply for a sulfur baseline?

Code of Federal Regulations, 2012 CFR

2012-07-01

... sulfur baseline? 80.245 Section 80.245 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.245 How does a small refiner apply for a sulfur baseline? (a) Any refiner seeking small...

Some observations on mesh refinement schemes applied to shock wave phenomena

NASA Technical Reports Server (NTRS)

Quirk, James J.

1995-01-01

This workshop's double-wedge test problem is taken from one of a sequence of experiments which were performed in order to classify the various canonical interactions between a planar shock wave and a double wedge. Therefore to build up a reasonably broad picture of the performance of our mesh refinement algorithm we have simulated three of these experiments and not just the workshop case. Here, using the results from these simulations together with their experimental counterparts, we make some general observations concerning the development of mesh refinement schemes for shock wave phenomena.

A two-dimensional time domain near zone to far zone transformation

NASA Technical Reports Server (NTRS)

Luebbers, Raymond J.; Ryan, Deirdre; Beggs, John H.; Kunz, Karl S.

1991-01-01

A time domain transformation useful for extrapolating three dimensional near zone finite difference time domain (FDTD) results to the far zone was presented. Here, the corresponding two dimensional transform is outlined. While the three dimensional transformation produced a physically observable far zone time domain field, this is not convenient to do directly in two dimensions, since a convolution would be required. However, a representative two dimensional far zone time domain result can be obtained directly. This result can then be transformed to the frequency domain using a Fast Fourier Transform, corrected with a simple multiplicative factor, and used, for example, to calculate the complex wideband scattering width of a target. If an actual time domain far zone result is required, it can be obtained by inverse Fourier transform of the final frequency domain result.

40 CFR 80.1342 - What compliance options are available to small refiners under this subpart?

Code of Federal Regulations, 2014 CFR

2014-07-01

... Benzene Small Refiner Provisions § 80.1342 What compliance options are available to small refiners under... this section must comply with the applicable benzene standards at § 80.1230 beginning with the first...

40 CFR 80.1342 - What compliance options are available to small refiners under this subpart?

Code of Federal Regulations, 2011 CFR

2011-07-01

... Benzene Small Refiner Provisions § 80.1342 What compliance options are available to small refiners under... this section must comply with the applicable benzene standards at § 80.1230 beginning with the first...

40 CFR 80.1342 - What compliance options are available to small refiners under this subpart?

Code of Federal Regulations, 2013 CFR

2013-07-01

... Benzene Small Refiner Provisions § 80.1342 What compliance options are available to small refiners under... this section must comply with the applicable benzene standards at § 80.1230 beginning with the first...

Geophysical signature of hydration-dehydration processes in active subduction zones

NASA Astrophysics Data System (ADS)

Reynard, Bruno

2013-04-01

Seismological and magneto-telluric tomographies are potential tools for imaging fluid circulation when combined with petrophysical models. Recent measurements of the physical properties of serpentine allow refining hydration of the mantle and fluid circulation in the mantle wedge from geophysical data. In the slab lithospheric mantle, serpentinization caused by bending at the trench is limited to a few kilometers below the oceanic crust (<5 km). Double Wadati-Benioff zones, 20-30 km below the crust, are explained by deformation of dry peridotites, not by serpentine dehydration. It reduces the required amount of water stored in solid phases in the slab (Reynard et al., 2010). In the cold (<700°C) fore-arc mantle wedge above the subducting slab, serpentinization is caused by the release of large amounts of hydrous fluids in the cold mantle above the dehydrating subducted plate. Low seismic velocities in the wedge give a time-integrated estimate of hydration and serpentinization. Serpentinization reaches 50-100% in hot subduction, while it is below 10% in cold subduction (Bezacier et al., 2010; Reynard, 2012). Electromagnetic profiles of the mantle wedge reveal high electrical-conductivity bodies. In hot areas of the mantle wedge (> 700°C), water released by dehydration of the slab induces melting of the mantle under volcanic arcs, explaining the observed high conductivities. In the cold melt-free wedge (< 700°C), high conductivities in electromagnetic profiles provide "instantaneous" images of fluid circulation because the measured electrical conductivity of serpentine is below 0.1 mS/m (Reynard et al., 2011). A small fraction (ca. 1% in volume) of connective high-salinity fluids accounts for the highest observed conductivities. Low-salinity fluids (≤ 0.1 m) released by slab dehydration evolve towards high-salinity (≥ 1 m) fluids during progressive serpentinization in the wedge. These fluids can mix with arc magmas at depths and account for high-chlorine melt

Iterative model building, structure refinement and density modification with the PHENIX AutoBuild wizard.

PubMed

Terwilliger, Thomas C; Grosse-Kunstleve, Ralf W; Afonine, Pavel V; Moriarty, Nigel W; Zwart, Peter H; Hung, Li Wei; Read, Randy J; Adams, Paul D

2008-01-01

The PHENIX AutoBuild wizard is a highly automated tool for iterative model building, structure refinement and density modification using RESOLVE model building, RESOLVE statistical density modification and phenix.refine structure refinement. Recent advances in the AutoBuild wizard and phenix.refine include automated detection and application of NCS from models as they are built, extensive model-completion algorithms and automated solvent-molecule picking. Model-completion algorithms in the AutoBuild wizard include loop building, crossovers between chains in different models of a structure and side-chain optimization. The AutoBuild wizard has been applied to a set of 48 structures at resolutions ranging from 1.1 to 3.2 A, resulting in a mean R factor of 0.24 and a mean free R factor of 0.29. The R factor of the final model is dependent on the quality of the starting electron density and is relatively independent of resolution.

Iterative model building, structure refinement and density modification with the PHENIX AutoBuild wizard

PubMed Central

Terwilliger, Thomas C.; Grosse-Kunstleve, Ralf W.; Afonine, Pavel V.; Moriarty, Nigel W.; Zwart, Peter H.; Hung, Li-Wei; Read, Randy J.; Adams, Paul D.

2008-01-01

The PHENIX AutoBuild wizard is a highly automated tool for iterative model building, structure refinement and density modification using RESOLVE model building, RESOLVE statistical density modification and phenix.refine structure refinement. Recent advances in the AutoBuild wizard and phenix.refine include automated detection and application of NCS from models as they are built, extensive model-completion algorithms and automated solvent-molecule picking. Model-completion algorithms in the AutoBuild wizard include loop building, crossovers between chains in different models of a structure and side-chain optimization. The AutoBuild wizard has been applied to a set of 48 structures at resolutions ranging from 1.1 to 3.2 Å, resulting in a mean R factor of 0.24 and a mean free R factor of 0.29. The R factor of the final model is dependent on the quality of the starting electron density and is relatively independent of resolution. PMID:18094468

40 CFR 80.1165 - What are the additional requirements under this subpart for a foreign small refiner?

Code of Federal Regulations, 2010 CFR

2010-07-01

... audits may be by EPA employees or contractors to EPA. (iv) Any documents requested that are related to... interviewing employees. (vii) Any employee of the foreign refiner must be made available for interview by the... service on this agent constitutes service on the foreign refiner or any employee of the foreign refiner...

40 CFR 80.1165 - What are the additional requirements under this subpart for a foreign small refiner?

Code of Federal Regulations, 2011 CFR

2011-07-01

... audits may be by EPA employees or contractors to EPA. (iv) Any documents requested that are related to... interviewing employees. (vii) Any employee of the foreign refiner must be made available for interview by the... service on this agent constitutes service on the foreign refiner or any employee of the foreign refiner...

The Sorong Fault Zone, Indonesia: Mapping a Fault Zone Offshore

NASA Astrophysics Data System (ADS)

Melia, S.; Hall, R.

2017-12-01

The Sorong Fault Zone is a left-lateral strike-slip fault zone in eastern Indonesia, extending westwards from the Bird's Head peninsula of West Papua towards Sulawesi. It is the result of interactions between the Pacific, Caroline, Philippine Sea, and Australian Plates and much of it is offshore. Previous research on the fault zone has been limited by the low resolution of available data offshore, leading to debates over the extent, location, and timing of movements, and the tectonic evolution of eastern Indonesia. Different studies have shown it north of the Sula Islands, truncated south of Halmahera, continuing to Sulawesi, or splaying into a horsetail fan of smaller faults. Recently acquired high resolution multibeam bathymetry of the seafloor (with a resolution of 15-25 meters), and 2D seismic lines, provide the opportunity to trace the fault offshore. The position of different strands can be identified. On land, SRTM topography shows that in the northern Bird's Head the fault zone is characterised by closely spaced E-W trending faults. NW of the Bird's Head offshore there is a fold and thrust belt which terminates some strands. To the west of the Bird's Head offshore the fault zone diverges into multiple strands trending ENE-WSW. Regions of Riedel shearing are evident west of the Bird's Head, indicating sinistral strike-slip motion. Further west, the ENE-WSW trending faults turn to an E-W trend and there are at least three fault zones situated immediately south of Halmahera, north of the Sula Islands, and between the islands of Sanana and Mangole where the fault system terminates in horsetail strands. South of the Sula islands some former normal faults at the continent-ocean boundary with the North Banda Sea are being reactivated as strike-slip faults. The fault zone does not currently reach Sulawesi. The new fault map differs from previous interpretations concerning the location, age and significance of different parts of the Sorong Fault Zone. Kinematic

A two-dimensional time domain near zone to far zone transformation

NASA Technical Reports Server (NTRS)

Luebbers, Raymond J.; Ryan, Deirdre; Beggs, John H.; Kunz, Karl S.

1991-01-01

In a previous paper, a time domain transformation useful for extrapolating 3-D near zone finite difference time domain (FDTD) results to the far zone was presented. In this paper, the corresponding 2-D transform is outlined. While the 3-D transformation produced a physically observable far zone time domain field, this is not convenient to do directly in 2-D, since a convolution would be required. However, a representative 2-D far zone time domain result can be obtained directly. This result can then be transformed to the frequency domain using a Fast Fourier Transform, corrected with a simple multiplicative factor, and used, for example, to calculate the complex wideband scattering width of a target. If an actual time domain far zone result is required it can be obtained by inverse Fourier transform of the final frequency domain result.

High-Resolution Flow Logging for Hydraulic Characterization of Boreholes and Aquifer Flow Zones at Contaminated Bedrock Sites

NASA Astrophysics Data System (ADS)

Williams, J. H.; Johnson, C. D.; Paillet, F. L.

2004-05-01

In the past, flow logging was largely restricted to the application of spinner flowmeters to determine flow-zone contributions in large-diameter production wells screened in highly transmissive aquifers. Development and refinement of tool-measurement technology, field methods, and analysis techniques has greatly extended and enhanced flow logging to include the hydraulic characterization of boreholes and aquifer flow zones at contaminated bedrock sites. State-of-the-art in flow logging will be reviewed, and its application to bedrock-contamination investigations will be presented. In open bedrock boreholes, vertical flows are measured with high-resolution flowmeters equipped with flexible rubber-disk diverters fitted to the nominal borehole diameters to concentrate flow through the measurement throat of the tools. Heat-pulse flowmeters measure flows in the range of 0.05 to 5 liters per minute, and electromagnetic flowmeters measure flows in the range of 0.3 to 30 liters per minute. Under ambient and low-rate stressed (either extraction or injection) conditions, stationary flowmeter measurements are collected in competent sections of the borehole between fracture zones identified on borehole-wall images. Continuous flow, fluid-resistivity, and temperature logs are collected under both sets of conditions while trolling with a combination electromagnetic flowmeter and fluid tool. Electromagnetic flowmeters are used with underfit diverters to measure flow rates greater than 30 liters per minute and suppress effects of diameter variations while trolling. A series of corrections are applied to the flow-log data to account for the zero-flow response, bypass, trolling, and borehole-diameter biases and effects. The flow logs are quantitatively analyzed by matching simulated flows computed with a numerical model to measured flows by varying the hydraulic properties (transmissivity and hydraulic head) of the flow zones. Several case studies will be presented that demonstrate

MAIN software for density averaging, model building, structure refinement and validation

PubMed Central

Turk, Dušan

2013-01-01

MAIN is software that has been designed to interactively perform the complex tasks of macromolecular crystal structure determination and validation. Using MAIN, it is possible to perform density modification, manual and semi-automated or automated model building and rebuilding, real- and reciprocal-space structure optimization and refinement, map calculations and various types of molecular structure validation. The prompt availability of various analytical tools and the immediate visualization of molecular and map objects allow a user to efficiently progress towards the completed refined structure. The extraordinary depth perception of molecular objects in three dimensions that is provided by MAIN is achieved by the clarity and contrast of colours and the smooth rotation of the displayed objects. MAIN allows simultaneous work on several molecular models and various crystal forms. The strength of MAIN lies in its manipulation of averaged density maps and molecular models when noncrystallographic symmetry (NCS) is present. Using MAIN, it is possible to optimize NCS parameters and envelopes and to refine the structure in single or multiple crystal forms. PMID:23897458

Sulfide-associated mineral assemblages in the Bushveld Complex, South Africa: platinum-group element enrichment by vapor refining by chloride-carbonate fluids

NASA Astrophysics Data System (ADS)

Kanitpanyacharoen, W.; Boudreau, A. E.

2013-02-01

The petrology of base metal sulfides and associated accessory minerals in rocks away from economically significant ore zones such as the Merensky Reef of the Bushveld Complex has previously received only scant attention, yet this information is critical in the evaluation of models for the formation of Bushveld-type platinum-group element (PGE) deposits. Trace sulfide minerals, primarily pyrite, pyrrhotite, pentlandite, and chalcopyrite are generally less than 100 microns in size, and occur as disseminated interstitial individual grains, as polyphase assemblages, and less commonly as inclusions in pyroxene, plagioclase, and olivine. Pyrite after pyrrhotite is commonly associated with low temperature greenschist alteration haloes around sulfide grains. Pyrrhotite hosted by Cr- and Ti-poor magnetite (Fe3O4) occurs in several samples from the Marginal to Lower Critical Zones below the platiniferous Merensky Reef. These grains occur with calcite that is in textural equilibrium with the igneous silicate minerals, occur with Cl-rich apatite, and are interpreted as resulting from high temperature sulfur loss during degassing of interstitial liquid. A quantitative model demonstrates how many of the first-order features of the Bushveld ore metal distribution could have developed by vapor refining of the crystal pile by chloride-carbonate-rich fluids during which sulfur and sulfide are continuously recycled, with sulfur moving from the interior of the crystal pile to the top during vapor degassing.

40 CFR 80.250 - How is the small refiner sulfur baseline and volume determined?

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 17 2012-07-01 2012-07-01 false How is the small refiner sulfur... AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.250 How is the small refiner sulfur baseline and volume determined? (a)(1) The...

40 CFR 80.250 - How is the small refiner sulfur baseline and volume determined?

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 16 2011-07-01 2011-07-01 false How is the small refiner sulfur... AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.250 How is the small refiner sulfur baseline and volume determined? (a)(1) The...

40 CFR 80.250 - How is the small refiner sulfur baseline and volume determined?

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 17 2014-07-01 2014-07-01 false How is the small refiner sulfur... AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.250 How is the small refiner sulfur baseline and volume determined? (a)(1) The...

40 CFR 80.250 - How is the small refiner sulfur baseline and volume determined?

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 17 2013-07-01 2013-07-01 false How is the small refiner sulfur... AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.250 How is the small refiner sulfur baseline and volume determined? (a)(1) The...

40 CFR 80.250 - How is the small refiner sulfur baseline and volume determined?

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 16 2010-07-01 2010-07-01 false How is the small refiner sulfur... AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur Hardship Provisions § 80.250 How is the small refiner sulfur baseline and volume determined? (a)(1) The...

77 FR 6007 - Quarterly Listings; Safety Zones, Security Zones, Special Local Regulations, Drawbridge Operation...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-02-07

...] Quarterly Listings; Safety Zones, Security Zones, Special Local Regulations, Drawbridge Operation... they could be published in the Federal Register. This notice lists temporary safety zones, security zones, special local regulations, drawbridge operation regulations and regulated navigation areas, all...

The refined Swampland Distance Conjecture in Calabi-Yau moduli spaces

NASA Astrophysics Data System (ADS)

Blumenhagen, Ralph; Klaewer, Daniel; Schlechter, Lorenz; Wolf, Florian

2018-06-01

The Swampland Distance Conjecture claims that effective theories derived from a consistent theory of quantum gravity only have a finite range of validity. This will imply drastic consequences for string theory model building. The refined version of this conjecture says that this range is of the order of the naturally built in scale, namely the Planck scale. It is investigated whether the Refined Swampland Distance Conjecture is consistent with proper field distances arising in the well understood moduli spaces of Calabi-Yau compactification. Investigating in particular the non-geometric phases of Kähler moduli spaces of dimension h 11 ∈ {1 , 2 , 101}, we always find proper field distances that are smaller than the Planck-length.

Free kick instead of cross-validation in maximum-likelihood refinement of macromolecular crystal structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pražnikar, Jure; University of Primorska,; Turk, Dušan, E-mail: dusan.turk@ijs.si

2014-12-01

The maximum-likelihood free-kick target, which calculates model error estimates from the work set and a randomly displaced model, proved superior in the accuracy and consistency of refinement of crystal structures compared with the maximum-likelihood cross-validation target, which calculates error estimates from the test set and the unperturbed model. The refinement of a molecular model is a computational procedure by which the atomic model is fitted to the diffraction data. The commonly used target in the refinement of macromolecular structures is the maximum-likelihood (ML) function, which relies on the assessment of model errors. The current ML functions rely on cross-validation. Theymore » utilize phase-error estimates that are calculated from a small fraction of diffraction data, called the test set, that are not used to fit the model. An approach has been developed that uses the work set to calculate the phase-error estimates in the ML refinement from simulating the model errors via the random displacement of atomic coordinates. It is called ML free-kick refinement as it uses the ML formulation of the target function and is based on the idea of freeing the model from the model bias imposed by the chemical energy restraints used in refinement. This approach for the calculation of error estimates is superior to the cross-validation approach: it reduces the phase error and increases the accuracy of molecular models, is more robust, provides clearer maps and may use a smaller portion of data for the test set for the calculation of R{sub free} or may leave it out completely.« less

Radiant zone heated particulate filter

DOEpatents

Gonze, Eugene V [Pinckney, MI

2011-12-27

A system includes a particulate matter (PM) filter including an upstream end for receiving exhaust gas and a downstream end. A radiant zoned heater includes N zones, where N is an integer greater than one, wherein each of the N zones includes M sub-zones, where M is an integer greater than or equal to one. A control module selectively activates at least a selected one of the N zones to initiate regeneration in downstream portions of the PM filter from the one of the N zones, restricts exhaust gas flow in a portion of the PM filter that corresponds to the selected one of the N zones, and deactivates non-selected ones of the N zones.

FUN3D Grid Refinement and Adaptation Studies for the Ares Launch Vehicle

NASA Technical Reports Server (NTRS)

Bartels, Robert E.; Vasta, Veer; Carlson, Jan-Renee; Park, Mike; Mineck, Raymond E.

2010-01-01

This paper presents grid refinement and adaptation studies performed in conjunction with computational aeroelastic analyses of the Ares crew launch vehicle (CLV). The unstructured grids used in this analysis were created with GridTool and VGRID while the adaptation was performed using the Computational Fluid Dynamic (CFD) code FUN3D with a feature based adaptation software tool. GridTool was developed by ViGYAN, Inc. while the last three software suites were developed by NASA Langley Research Center. The feature based adaptation software used here operates by aligning control volumes with shock and Mach line structures and by refining/de-refining where necessary. It does not redistribute node points on the surface. This paper assesses the sensitivity of the complex flow field about a launch vehicle to grid refinement. It also assesses the potential of feature based grid adaptation to improve the accuracy of CFD analysis for a complex launch vehicle configuration. The feature based adaptation shows the potential to improve the resolution of shocks and shear layers. Further development of the capability to adapt the boundary layer and surface grids of a tetrahedral grid is required for significant improvements in modeling the flow field.

Habitable Zone Evolution

NASA Astrophysics Data System (ADS)

Waltham, D.; Lota, J.

2012-12-01

The location of the habitable zone around a star depends upon stellar luminosity and upon the properties of a potentially habitable planet such as its mass and near-surface volatile inventory. Stellar luminosity generally increases as a star ages whilst planetary properties change through time as a consequence of biological and geological evolution. Hence, the location of the habitable zone changes through time as a result of both stellar evolution and planetary evolution. Using the Earth's Phanerozoic temperature history as a constraint, it is shown that changes in our own habitable zone over the last 540 My have been dominated by planetary evolution rather than solar evolution. Furthermore, sparse data from earlier times suggests that planetary evolution may have dominated habitable zone development throughout our biosphere's history. Hence, the existence of a continuously habitable zone depends upon accidents of complex bio-geochemical evolution more than it does upon relatively simple stellar-evolution. Evolution of the inner margin of the habitable zone through time using three different estimates for climate sensitivity. The dashed line shows a typical predicted evolution assuming this was driven simply by a steady increase in solar luminosity. Solar evolution does not account for the observations. Evolution of the outer margin of the habitable zone through time using three different estimates for climate sensitivity. The dashed line shows a typical predicted evolution assuming this was driven simply by a steady increase in solar luminosity. Solar evolution does not account for the observations.

Refined structure of dimeric diphtheria toxin at 2.0 A resolution.

PubMed Central

Bennett, M. J.; Choe, S.; Eisenberg, D.

1994-01-01

The refined structure of dimeric diphtheria toxin (DT) at 2.0 A resolution, based on 37,727 unique reflections (F > 1 sigma (F)), yields a final R factor of 19.5% with a model obeying standard geometry. The refined model consists of 523 amino acid residues, 1 molecule of the bound dinucleotide inhibitor adenylyl 3'-5' uridine 3' monophosphate (ApUp), and 405 well-ordered water molecules. The 2.0-A refined model reveals that the binding motif for ApUp includes residues in the catalytic and receptor-binding domains and is different from the Rossmann dinucleotide-binding fold. ApUp is bound in part by a long loop (residues 34-52) that crosses the active site. Several residues in the active site were previously identified as NAD-binding residues. Glu 148, previously identified as playing a catalytic role in ADP-ribosylation of elongation factor 2 by DT, is about 5 A from uracil in ApUp. The trigger for insertion of the transmembrane domain of DT into the endosomal membrane at low pH may involve 3 intradomain and 4 interdomain salt bridges that will be weakened at low pH by protonation of their acidic residues. The refined model also reveals that each molecule in dimeric DT has an "open" structure unlike most globular proteins, which we call an open monomer. Two open monomers interact by "domain swapping" to form a compact, globular dimeric DT structure. The possibility that the open monomer resembles a membrane insertion intermediate is discussed. PMID:7833807

Refined BCF-type boundary conditions for mesoscale surface step dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Renjie; Ackerman, David M.; Evans, James W.

Deposition on a vicinal surface with alternating rough and smooth steps is described by a solid-on-solid model with anisotropic interactions. Kinetic Monte Carlo (KMC) simulations of the model reveal step pairing in the absence of any additional step attachment barriers. We explore the description of this behavior within an analytic Burton-Cabrera-Frank (BCF)-type step dynamics treatment. Without attachment barriers, conventional kinetic coefficients for the rough and smooth steps are identical, as are the predicted step velocities for a vicinal surface with equal terrace widths. However, we determine refined kinetic coefficients from a two-dimensional discrete deposition-diffusion equation formalism which accounts for stepmore » structure. These coefficients are generally higher for rough steps than for smooth steps, reflecting a higher propensity for capture of diffusing terrace adatoms due to a higher kink density. Such refined coefficients also depend on the local environment of the step and can even become negative (corresponding to net detachment despite an excess adatom density) for a smooth step in close proximity to a rough step. Incorporation of these refined kinetic coefficients into a BCF-type step dynamics treatment recovers quantitatively the mesoscale step-pairing behavior observed in the KMC simulations.« less

The state of animal welfare in the context of refinement.

PubMed

Zurlo, Joanne; Hutchinson, Eric

2014-01-01

The ultimate goal of the Three Rs is the full replacement of animals used in biomedical research and testing. However, replacement is unlikely to occur in the near future; therefore the scientific community as a whole must continue to devote considerable effort to ensure optimal animal welfare for the benefit of the science and the animals, i.e., the R of refinement. Laws governing the care and use of laboratory animals have recently been revised in Europe and the US and these place greater emphasis on promoting the well-being of the animals in addition to minimizing pain and distress. Social housing for social species is now the default condition, which can present a challenge in certain experimental settings and for certain species. The practice of positive reinforcement training of laboratory animals, particularly non-human primates, is gathering momentum but is not yet universally employed. Enhanced consideration of refinement extends to rodents, particularly mice, whose use is still increasing as more genetically modified models are generated. The wastage of extraneous mice and the method of their euthanasia are refinement issues that still need to be addressed. An international, concerted effort into defining the needs of laboratory animals is still necessary to improve the quality of the animal models used as well as their welfare.

Refined BCF-type boundary conditions for mesoscale surface step dynamics

DOE PAGES

Zhao, Renjie; Ackerman, David M.; Evans, James W.

2015-06-24

Deposition on a vicinal surface with alternating rough and smooth steps is described by a solid-on-solid model with anisotropic interactions. Kinetic Monte Carlo (KMC) simulations of the model reveal step pairing in the absence of any additional step attachment barriers. We explore the description of this behavior within an analytic Burton-Cabrera-Frank (BCF)-type step dynamics treatment. Without attachment barriers, conventional kinetic coefficients for the rough and smooth steps are identical, as are the predicted step velocities for a vicinal surface with equal terrace widths. However, we determine refined kinetic coefficients from a two-dimensional discrete deposition-diffusion equation formalism which accounts for stepmore » structure. These coefficients are generally higher for rough steps than for smooth steps, reflecting a higher propensity for capture of diffusing terrace adatoms due to a higher kink density. Such refined coefficients also depend on the local environment of the step and can even become negative (corresponding to net detachment despite an excess adatom density) for a smooth step in close proximity to a rough step. Incorporation of these refined kinetic coefficients into a BCF-type step dynamics treatment recovers quantitatively the mesoscale step-pairing behavior observed in the KMC simulations.« less

Fibonacci-like zone plate

NASA Astrophysics Data System (ADS)

Cheng, Shubo; Liu, Mengsi; Xia, Tian; Tao, Shaohua

2018-06-01

We present a new family of diffractive lenses, Fibonacci-like zone plates, generated with a modified Fibonacci sequence. The focusing properties and the evolution of transverse diffraction pattern for the Fibonacci-like zone plates have been analytically investigated both theoretically and experimentally and compared with the corresponding Fresnel zone plates of the same resolution. The results demonstrate that the Fibonacci-like zone plates possess the self-similar property and the multifocal behavior. Furthermore, the Fibonacci-like zone plate beams are found to possess the self-reconstruction property, and would be promising for 3D optical tweezers, laser machining, and optical imaging.

76 FR 70342 - Quarterly Listings; Safety Zones, Security Zones, Special Local Regulations, Drawbridge Operation...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-14

...] Quarterly Listings; Safety Zones, Security Zones, Special Local Regulations, Drawbridge Operation... published in the Federal Register. This notice lists temporary safety zones, security zones, special local..., telephone (202) 372-3862. For questions on viewing, or on submitting material to the docket, contact Ms...

75 FR 18015 - Credit for Renewable Electricity Production, Refined Coal Production, and Indian Coal Production...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-04-08

... DEPARTMENT OF THE TREASURY Internal Revenue Service Credit for Renewable Electricity Production, Refined Coal Production, and Indian Coal Production, and Publication of Inflation Adjustment Factors and... FR 16576 determining the availability of the credit for renewable electricity production, refined...

Gyre and gimble: a maximum-likelihood replacement for Patterson correlation refinement.

PubMed

McCoy, Airlie J; Oeffner, Robert D; Millán, Claudia; Sammito, Massimo; Usón, Isabel; Read, Randy J

2018-04-01

Descriptions are given of the maximum-likelihood gyre method implemented in Phaser for optimizing the orientation and relative position of rigid-body fragments of a model after the orientation of the model has been identified, but before the model has been positioned in the unit cell, and also the related gimble method for the refinement of rigid-body fragments of the model after positioning. Gyre refinement helps to lower the root-mean-square atomic displacements between model and target molecular-replacement solutions for the test case of antibody Fab(26-10) and improves structure solution with ARCIMBOLDO_SHREDDER.

Structure refinement of Zn and Pr-doped Y-Ba-Cu-oxides

NASA Astrophysics Data System (ADS)

Naik, M. S.; Sarode, P. R.; Priolkar, K. R.; Prabhu, R. B.

2018-05-01

Superconducting compounds of composition Y0.9 Pr0.1Ba2 [Cu1-yZny]3O7-δ (0 ≤ y ≤ 0.10) have been synthesized. The structure of these materials has been studied using powder X-ray diffraction technique and refinement has been carried out by using Rietveld refinement procedure. It has been shown that all these compounds crystallize in orthorhombic structure with slight change in c parameter. Increase of parameter O(2) and decrease of parameter O(3)suggest the changes in the Cu-O2 plane of these orthorhombic materials on Zn substitution.

Cascadia Subduction Zone

USGS Publications Warehouse

Frankel, Arthur D.; Petersen, Mark D.

2008-01-01

The geometry and recurrence times of large earthquakes associated with the Cascadia Subduction Zone (CSZ) were discussed and debated at a March 28-29, 2006 Pacific Northwest workshop for the USGS National Seismic Hazard Maps. The CSZ is modeled from Cape Mendocino in California to Vancouver Island in British Columbia. We include the same geometry and weighting scheme as was used in the 2002 model (Frankel and others, 2002) based on thermal constraints (Fig. 1; Fluck and others, 1997 and a reexamination by Wang et al., 2003, Fig. 11, eastern edge of intermediate shading). This scheme includes four possibilities for the lower (eastern) limit of seismic rupture: the base of elastic zone (weight 0.1), the base of transition zone (weight 0.2), the midpoint of the transition zone (weight 0.2), and a model with a long north-south segment at 123.8? W in the southern and central portions of the CSZ, with a dogleg to the northwest in the northern portion of the zone (weight 0.5). The latter model was derived from the approximate average longitude of the contour of the 30 km depth of the CSZ as modeled by Fluck et al. (1997). A global study of the maximum depth of thrust earthquakes on subduction zones by Tichelaar and Ruff (1993) indicated maximum depths of about 40 km for most of the subduction zones studied, although the Mexican subduction zone had a maximum depth of about 25 km (R. LaForge, pers. comm., 2006). The recent inversion of GPS data by McCaffrey et al. (2007) shows a significant amount of coupling (a coupling factor of 0.2-0.3) as far east as 123.8? West in some portions of the CSZ. Both of these lines of evidence lend support to the model with a north-south segment at 123.8? W.

CITGO Petroleum Corporation and PDV Midwest Refining, LLC Settlement

EPA Pesticide Factsheets

CITGO Petroleum Corporation and PDV Midwest Refining, LLC (collectively, CITGO) have agreed to pay a $1,955,000 civil penalty, perform environmental projects totaling more than $2 million, and spend an estimated $42 million in injunctive relief to resolve.

a Novel Approach to Veterinary Spatial Epidemiology: Dasymetric Refinement of the Swiss Dog Tumor Registry Data

NASA Astrophysics Data System (ADS)

Boo, G.; Fabrikant, S. I.; Leyk, S.

2015-08-01

In spatial epidemiology, disease incidence and demographic data are commonly summarized within larger regions such as administrative units because of privacy concerns. As a consequence, analyses using these aggregated data are subject to the Modifiable Areal Unit Problem (MAUP) as the geographical manifestation of ecological fallacy. In this study, we create small area disease estimates through dasymetric refinement, and investigate the effects on predictive epidemiological models. We perform a binary dasymetric refinement of municipality-aggregated dog tumor incidence counts in Switzerland for the year 2008 using residential land as a limiting ancillary variable. This refinement is expected to improve the quality of spatial data originally aggregated within arbitrary administrative units by deconstructing them into discontinuous subregions that better reflect the underlying population distribution. To shed light on effects of this refinement, we compare a predictive statistical model that uses unrefined administrative units with one that uses dasymetrically refined spatial units. Model diagnostics and spatial distributions of model residuals are assessed to evaluate the model performances in different regions. In particular, we explore changes in the spatial autocorrelation of the model residuals due to spatial refinement of the enumeration units in a selected mountainous region, where the rugged topography induces great shifts of the analytical units i.e., residential land. Such spatial data quality refinement results in a more realistic estimation of the population distribution within administrative units, and thus, in a more accurate modeling of dog tumor incidence patterns. Our results emphasize the benefits of implementing a dasymetric modeling framework in veterinary spatial epidemiology.

Improved cryoEM-Guided Iterative Molecular Dynamics–Rosetta Protein Structure Refinement Protocol for High Precision Protein Structure Prediction

PubMed Central

2016-01-01

Many excellent methods exist that incorporate cryo-electron microscopy (cryoEM) data to constrain computational protein structure prediction and refinement. Previously, it was shown that iteration of two such orthogonal sampling and scoring methods – Rosetta and molecular dynamics (MD) simulations – facilitated exploration of conformational space in principle. Here, we go beyond a proof-of-concept study and address significant remaining limitations of the iterative MD–Rosetta protein structure refinement protocol. Specifically, all parts of the iterative refinement protocol are now guided by medium-resolution cryoEM density maps, and previous knowledge about the native structure of the protein is no longer necessary. Models are identified solely based on score or simulation time. All four benchmark proteins showed substantial improvement through three rounds of the iterative refinement protocol. The best-scoring final models of two proteins had sub-Ångstrom RMSD to the native structure over residues in secondary structure elements. Molecular dynamics was most efficient in refining secondary structure elements and was thus highly complementary to the Rosetta refinement which is most powerful in refining side chains and loop regions. PMID:25883538

Fiberboards from loblolly pine refiner groundwood: effects of gross wood characteristics and board density

Treesearch

Charles W. McMillin

1968-01-01

Boards for insulation and and structural uses are being manufactured in increasing quantities. The coarse fiber required for these products can be disk-refined from untreated wood chips. Since such fiber is produced in essentially one mechanical operation, continuous control is required of the raw material as well as the refining process.

Grain Refining and Microstructural Modification during Solidification.

DTIC Science & Technology

1983-10-01

was found to be insensitive to the iron concentration in the samples solidified in the levitated state but not in samples quenched from the liquid . The... liquid . The preliminary * results with niobium additions indicate that no appreciable grain refinement * is achieved when the samples are levitated in an...to the critical examination of the Cr-Ni phase diagram, by using high purity starting materials, and a containerless electromagnetic levitation

76 FR 38297 - Safety Zone; Marine Events Requiring Safety Zones in the Captain of the Port Sault Sainte Marie Zone

Federal Register 2010, 2011, 2012, 2013, 2014

2011-06-30

...'' W [DATUM: NAD 83]. (ii) Enforcement Period. This safety zone will be enforced on July 4, 2011 from 9...'' N, 086[deg]39'08.52'' W [DATUM: NAD 83]. (ii) Enforcement Period. This safety zone will be enforced...: NAD 83], with the West Bay shoreline forming the South and West boundaries of the zone. (ii...

Study on the Control of Cleanliness for X90 Pipeline in the Secondary Refining Process

NASA Astrophysics Data System (ADS)

Chu, Ren Sheng; Liu, Jin Gang; Li, Zhan Jun

X90 pipeline steel requires ultra low for sulfur content and gas content in the smelting process. The secondary refining process is very important for X90 pipeline in smelting process and the control of cleanliness is the key for the secondary refining process in the steelmaking process for Pretreatment of hot metal → LD → LF refining → RH refining → Calcium treatment → CC. In the current paper, the cleanliness control method of secondary refining was analyzed for the evolution of non-metallic inclusions in the secondary refining prcess and related changes for composition in steel. The size, composition and the type of the non-metallic inclusions were analyzed by aspex explorer automated scanning electron microscope in X90 pipeline samples for 20mm * 25mm * 25mm by the line cutting. The results show that the number of non-metallic inclusions in steel decrease from the beginning of the LF refining to the RH refining. In the composition of the Non-metallic inclusions, the initial non-metallic inclusions of alumina is converted to two comple-type non-metallic inclusions. Most of them, the non-metallic inclusions were composed by the calcium aluminate and CaS. The others are that the spinel is the core, peripheral parcels calcium aluminate nonmetallic inclusions for complex-type non-metallic inclusions. For the size of the non-metallic inclusions, the non-metallic inclusions for size larger than 100µm is converted to 5 20µm based small size non-metallic inclusions. While the S content of the steel decreased from 0.012% to 0.0012% or less, Al content is kept at between 0.025% to 0.035% and the quality for the casting slab satisfies the requirement of the steel. The ratings for various types of the non-metallic inclusions are 1.5 or less. The control strategy for the inclusions in 90 pipeline is small size, diffuse distribution and little amount of the deformation after rolling. On the contrary, the specific chemical composition of the inclusions is not

Using Adaptive Mesh Refinment to Simulate Storm Surge

NASA Astrophysics Data System (ADS)

Mandli, K. T.; Dawson, C.

2012-12-01

Coastal hazards related to strong storms such as hurricanes and typhoons are one of the most frequently recurring and wide spread hazards to coastal communities. Storm surges are among the most devastating effects of these storms, and their prediction and mitigation through numerical simulations is of great interest to coastal communities that need to plan for the subsequent rise in sea level during these storms. Unfortunately these simulations require a large amount of resolution in regions of interest to capture relevant effects resulting in a computational cost that may be intractable. This problem is exacerbated in situations where a large number of similar runs is needed such as in design of infrastructure or forecasting with ensembles of probable storms. One solution to address the problem of computational cost is to employ adaptive mesh refinement (AMR) algorithms. AMR functions by decomposing the computational domain into regions which may vary in resolution as time proceeds. Decomposing the domain as the flow evolves makes this class of methods effective at ensuring that computational effort is spent only where it is needed. AMR also allows for placement of computational resolution independent of user interaction and expectation of the dynamics of the flow as well as particular regions of interest such as harbors. The simulation of many different applications have only been made possible by using AMR-type algorithms, which have allowed otherwise impractical simulations to be performed for much less computational expense. Our work involves studying how storm surge simulations can be improved with AMR algorithms. We have implemented relevant storm surge physics in the GeoClaw package and tested how Hurricane Ike's surge into Galveston Bay and up the Houston Ship Channel compares to available tide gauge data. We will also discuss issues dealing with refinement criteria, optimal resolution and refinement ratios, and inundation.

76 FR 80333 - Seamless Refined Copper Pipe and Tube From Mexico: Extension of Time Limits for the Preliminary...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-12-23

... DEPARTMENT OF COMMERCE International Trade Administration [A-428-840] Seamless Refined Copper Pipe... antidumping duty order on seamless refined copper pipe and tube from Mexico, covering the period November 22, 2010, to April 30, 2011. See Seamless Refined Copper Pipe and Tube From Mexico: Notice of Initiation of...

Maturation of Cerebellar Purkinje Cell Population Activity during Postnatal Refinement of Climbing Fiber Network.

PubMed

Good, Jean-Marc; Mahoney, Michael; Miyazaki, Taisuke; Tanaka, Kenji F; Sakimura, Kenji; Watanabe, Masahiko; Kitamura, Kazuo; Kano, Masanobu

2017-11-21

Neural circuits undergo massive refinements during postnatal development. In the developing cerebellum, the climbing fiber (CF) to Purkinje cell (PC) network is drastically reshaped by eliminating early-formed redundant CF to PC synapses. To investigate the impact of CF network refinement on PC population activity during postnatal development, we monitored spontaneous CF responses in neighboring PCs and the activity of populations of nearby CF terminals using in vivo two-photon calcium imaging. Population activity is highly synchronized in newborn mice, and the degree of synchrony gradually declines during the first postnatal week in PCs and, to a lesser extent, in CF terminals. Knockout mice lacking P/Q-type voltage-gated calcium channel or glutamate receptor δ2, in which CF network refinement is severely impaired, exhibit an abnormally high level of synchrony in PC population activity. These results suggest that CF network refinement is a structural basis for developmental desynchronization and maturation of PC population activity. Copyright © 2017 The Author(s). Published by Elsevier Inc. All rights reserved.

Concrete Model Checking with Abstract Matching and Refinement

NASA Technical Reports Server (NTRS)

Pasareanu Corina S.; Peianek Radek; Visser, Willem

2005-01-01

We propose an abstraction-based model checking method which relies on refinement of an under-approximation of the feasible behaviors of the system under analysis. The method preserves errors to safety properties, since all analyzed behaviors are feasible by definition. The method does not require an abstract transition relation to he generated, but instead executes the concrete transitions while storing abstract versions of the concrete states, as specified by a set of abstraction predicates. For each explored transition. the method checks, with the help of a theorem prover, whether there is any loss of precision introduced by abstraction. The results of these checks are used to decide termination or to refine the abstraction, by generating new abstraction predicates. If the (possibly infinite) concrete system under analysis has a finite bisimulation quotient, then the method is guaranteed to eventually explore an equivalent finite bisimilar structure. We illustrate the application of the approach for checking concurrent programs. We also show how a lightweight variant can be used for efficient software testing.

Interpolation methods and the accuracy of lattice-Boltzmann mesh refinement

DOE PAGES

Guzik, Stephen M.; Weisgraber, Todd H.; Colella, Phillip; ...

2013-12-10

A lattice-Boltzmann model to solve the equivalent of the Navier-Stokes equations on adap- tively refined grids is presented. A method for transferring information across interfaces between different grid resolutions was developed following established techniques for finite- volume representations. This new approach relies on a space-time interpolation and solving constrained least-squares problems to ensure conservation. The effectiveness of this method at maintaining the second order accuracy of lattice-Boltzmann is demonstrated through a series of benchmark simulations and detailed mesh refinement studies. These results exhibit smaller solution errors and improved convergence when compared with similar approaches relying only on spatial interpolation. Examplesmore » highlighting the mesh adaptivity of this method are also provided.« less

Refining the structural framework of the Khimti Khola region, east-central Nepal Himalaya, using quartz textures and c-axis fabrics

NASA Astrophysics Data System (ADS)

Larson, Kyle P.

2018-02-01

New quartz texture and c-axis fabric data from across the Paleoproterozoic Ulleri-Phaplu-Melung orthogneiss in the Khimti Khola region of east central Nepal provide new constraints on the internal structural framework of the Himalaya that help shed light on the convergence accommodation processes active in the upper portion of the crust during orogenesis. These data outline a strain history that varies across the unit. Deformation near the base of the unit occurred at ∼605 (±50) °C with evidence of significant static recrystallization and recovery preserved in quartz, whereas deformation near the top of the unit occurred at ∼540 (±50) ˚C with quartz characterized by dynamic recrystallization mechanisms. The strength of the quartz c-axis fabrics follows a similar spatial pattern, with those from near the top of the unit recording stronger fabrics than those measured from lower in the unit. Together, these data are interpreted to indicate strain localization, possibly at progressively lower temperature, near the top of the Ulleri-Phaplu-Melung orthogneiss. This interpretation is consistent with cooling ages that indicate the upper boundary of the unit coincides with an out-of-sequence shear zone. This study not only provides a structural characterization of the shear zone, helping to refine the kinematic framework of this portion of the Himalaya, but also confirms the utility of fabric strength analysis in deciphering strain localization within pervasively deformed rocks.

Columbia Smelting & Refining Works Red Hook, Brooklyn, New York

EPA Pesticide Factsheets

The site is the former location of a secondary lead smelter called Columbia Smelting and Refining Works (Columbia), and the extent of lead-contaminated soil from the smelter, in the mixed-use neighborhood of Red Hook in Brooklyn, New York. The footprint of

76 FR 44803 - Quarterly Listings; Safety Zones, Security Zones, Special Local Regulations, Drawbridge Operation...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-27

... USCG-2009-1081 New Orleans, LA Safety Zone (Part 165)..... 12/23/2009 USCG-2009-1084 Rio Vista, CA...-1096 Port Portland Zone......... Safety Zone (Part 165)..... 7/3/2010 USCG-2009-0040 La Push, WA Safety...-0950 Madisonville, LA Safety Zone (Part 165)..... 12/31/2009 USCG-2009-0951 Lower Mississippi River...

76 FR 50285 - Fiscal Year 2012 Tariff-Rate Quota Allocations for Raw Cane Sugar, Refined and Specialty Sugar...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-12

... for Raw Cane Sugar, Refined and Specialty Sugar and Sugar-Containing Products AGENCY: Office of the... quantity of the tariff-rate quotas for imported raw cane sugar, refined and specialty sugar and sugar...), the United States maintains tariff-rate quotas (TRQs) for imports of raw cane sugar and refined sugar...

Merging Hydrologic, Geochemical, and Geophysical Approaches to Understand the Regolith Architecture of a Deeply Weathered Piedmont Critical Zone

NASA Astrophysics Data System (ADS)

Cosans, C.; Moore, J.; Harman, C. J.

2017-12-01

along tectonically-induced fractures and weathering front advance have been proposed, but additional data are needed to test them. Developing a thorough, nuanced understanding of the geochemical and hydrological behavior of Pond Branch may help test and refine hypotheses for Piedmont critical zone evolution.

40 CFR 80.230 - Who is not eligible for the hardship provisions for small refiners?

Code of Federal Regulations, 2011 CFR

2011-07-01

... AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur... reorganization; (3) Importers; and (4) Refiners who produce gasoline other than by processing crude oil through... refineries for which the Administrator has approved an extension of the small refiner gasoline sulfur...

40 CFR 80.230 - Who is not eligible for the hardship provisions for small refiners?

Code of Federal Regulations, 2010 CFR

2010-07-01

... AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Sulfur... reorganization; (3) Importers; and (4) Refiners who produce gasoline other than by processing crude oil through... refineries for which the Administrator has approved an extension of the small refiner gasoline sulfur...

The slip-and-slide algorithm: a refinement protocol for detector geometry

PubMed Central

Ginn, Helen Mary; Stuart, David Ian

2017-01-01

Geometry correction is traditionally plagued by mis-fitting of correlated parameters, leading to local minima which prevent further improvements. Segmented detectors pose an enhanced risk of mis-fitting: even a minor confusion of detector distance and panel separation can prevent improvement in data quality. The slip-and-slide algorithm breaks down effects of the correlated parameters and their associated target functions in a fundamental shift in the approach to the problem. Parameters are never refined against the components of the data to which they are insensitive, providing a dramatic boost in the exploitation of information from a very small number of diffraction patterns. This algorithm can be applied to exploit the adherence of the spot-finding results prior to indexing to a given lattice using unit-cell dimensions as a restraint. Alternatively, it can be applied to the predicted spot locations and the observed reflection positions after indexing from a smaller number of images. Thus, the indexing rate can be boosted by 5.8% using geometry refinement from only 125 indexed patterns or 500 unindexed patterns. In one example of cypovirus type 17 polyhedrin diffraction at the Linac Coherent Light Source, this geometry refinement reveals a detector tilt of 0.3° (resulting in a maximal Z-axis error of ∼0.5 mm from an average detector distance of ∼90 mm) whilst treating all panels independently. Re-indexing and integrating with updated detector geometry reduces systematic errors providing a boost in anomalous signal of sulfur atoms by 20%. Due to the refinement of decoupled parameters, this geometry method also reaches convergence. PMID:29091058

Applying an Empirical Hydropathic Forcefield in Refinement May Improve Low-Resolution Protein X-Ray Crystal Structures

PubMed Central

Koparde, Vishal N.; Scarsdale, J. Neel; Kellogg, Glen E.

2011-01-01

Background The quality of X-ray crystallographic models for biomacromolecules refined from data obtained at high-resolution is assured by the data itself. However, at low-resolution, >3.0 Å, additional information is supplied by a forcefield coupled with an associated refinement protocol. These resulting structures are often of lower quality and thus unsuitable for downstream activities like structure-based drug discovery. Methodology An X-ray crystallography refinement protocol that enhances standard methodology by incorporating energy terms from the HINT (Hydropathic INTeractions) empirical forcefield is described. This protocol was tested by refining synthetic low-resolution structural data derived from 25 diverse high-resolution structures, and referencing the resulting models to these structures. The models were also evaluated with global structural quality metrics, e.g., Ramachandran score and MolProbity clashscore. Three additional structures, for which only low-resolution data are available, were also re-refined with this methodology. Results The enhanced refinement protocol is most beneficial for reflection data at resolutions of 3.0 Å or worse. At the low-resolution limit, ≥4.0 Å, the new protocol generated models with Cα positions that have RMSDs that are 0.18 Å more similar to the reference high-resolution structure, Ramachandran scores improved by 13%, and clashscores improved by 51%, all in comparison to models generated with the standard refinement protocol. The hydropathic forcefield terms are at least as effective as Coulombic electrostatic terms in maintaining polar interaction networks, and significantly more effective in maintaining hydrophobic networks, as synthetic resolution is decremented. Even at resolutions ≥4.0 Å, these latter networks are generally native-like, as measured with a hydropathic interactions scoring tool. PMID:21246043

Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smart, Oliver S., E-mail: osmart@globalphasing.com; Womack, Thomas O.; Flensburg, Claus

2012-04-01

Local structural similarity restraints (LSSR) provide a novel method for exploiting NCS or structural similarity to an external target structure. Two examples are given where BUSTER re-refinement of PDB entries with LSSR produces marked improvements, enabling further structural features to be modelled. Maximum-likelihood X-ray macromolecular structure refinement in BUSTER has been extended with restraints facilitating the exploitation of structural similarity. The similarity can be between two or more chains within the structure being refined, thus favouring NCS, or to a distinct ‘target’ structure that remains fixed during refinement. The local structural similarity restraints (LSSR) approach considers all distances less thanmore » 5.5 Å between pairs of atoms in the chain to be restrained. For each, the difference from the distance between the corresponding atoms in the related chain is found. LSSR applies a restraint penalty on each difference. A functional form that reaches a plateau for large differences is used to avoid the restraints distorting parts of the structure that are not similar. Because LSSR are local, there is no need to separate out domains. Some restraint pruning is still necessary, but this has been automated. LSSR have been available to academic users of BUSTER since 2009 with the easy-to-use -autoncs and @@target target.pdb options. The use of LSSR is illustrated in the re-refinement of PDB entries http://scripts.iucr.org/cgi-bin/cr.cgi?rm, where -target enables the correct ligand-binding structure to be found, and http://scripts.iucr.org/cgi-bin/cr.cgi?rm, where -autoncs contributes to the location of an additional copy of the cyclic peptide ligand.« less

Effect of Al on Grain Refinement and Mechanical Properties of Mg-3Nd Casting Alloy

NASA Astrophysics Data System (ADS)

Wang, Lei; Feng, Yicheng; Wang, Liping; Chen, Yanhong; Guo, Erjun

2018-05-01

The effect of Al on the grain refinement and mechanical properties of as-cast Mg-3Nd alloy was investigated systematically by a series of microstructural analysis, solidification analysis and tensile tests. The results show that Al has an obvious refining effect on the as-cast Mg-3Nd alloy. With increasing Al content, the grain size of the as-cast Mg-3Nd alloy decreases firstly, then increases slightly after the Al content reaching 3 wt.%, and the minimum grain size of the Mg-3Nd alloy is 48 ± 4.0 μm. The refining mechanism can be attributed to the formation of Al2Nd particles, which play an important role in the heterogeneous nucleation. The strength and elongation of the Mg-3Nd alloy refined by Al also increase with increasing Al content and slightly decrease when the Al content is more than 3 wt.%, and the strengthening mechanism is attributed to the grain refinement as well as dispersed intermetallic particles. Furthermore, the microstructural thermal stability of the Mg-3Nd-3Al alloy is higher than that of the Mg-3Nd-0.5Zr alloy. Overall, the Mg-3Nd alloy with Al addition is a novel alloy with wide and potential application prospects.

Time evolution as refining, coarse graining and entangling

NASA Astrophysics Data System (ADS)

Dittrich, Bianca; Steinhaus, Sebastian

2014-12-01

We argue that refining, coarse graining and entangling operators can be obtained from time evolution operators. This applies in particular to geometric theories, such as spin foams. We point out that this provides a construction principle for the physical vacuum in quantum gravity theories and more generally allows construction of a (cylindrically) consistent continuum limit of the theory.

Adaptively Refined Euler and Navier-Stokes Solutions with a Cartesian-Cell Based Scheme

NASA Technical Reports Server (NTRS)

Coirier, William J.; Powell, Kenneth G.

1995-01-01

A Cartesian-cell based scheme with adaptive mesh refinement for solving the Euler and Navier-Stokes equations in two dimensions has been developed and tested. Grids about geometrically complicated bodies were generated automatically, by recursive subdivision of a single Cartesian cell encompassing the entire flow domain. Where the resulting cells intersect bodies, N-sided 'cut' cells were created using polygon-clipping algorithms. The grid was stored in a binary-tree data structure which provided a natural means of obtaining cell-to-cell connectivity and of carrying out solution-adaptive mesh refinement. The Euler and Navier-Stokes equations were solved on the resulting grids using an upwind, finite-volume formulation. The inviscid fluxes were found in an upwinded manner using a linear reconstruction of the cell primitives, providing the input states to an approximate Riemann solver. The viscous fluxes were formed using a Green-Gauss type of reconstruction upon a co-volume surrounding the cell interface. Data at the vertices of this co-volume were found in a linearly K-exact manner, which ensured linear K-exactness of the gradients. Adaptively-refined solutions for the inviscid flow about a four-element airfoil (test case 3) were compared to theory. Laminar, adaptively-refined solutions were compared to accepted computational, experimental and theoretical results.

Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER.

PubMed

Smart, Oliver S; Womack, Thomas O; Flensburg, Claus; Keller, Peter; Paciorek, Włodek; Sharff, Andrew; Vonrhein, Clemens; Bricogne, Gérard

2012-04-01

Maximum-likelihood X-ray macromolecular structure refinement in BUSTER has been extended with restraints facilitating the exploitation of structural similarity. The similarity can be between two or more chains within the structure being refined, thus favouring NCS, or to a distinct 'target' structure that remains fixed during refinement. The local structural similarity restraints (LSSR) approach considers all distances less than 5.5 Å between pairs of atoms in the chain to be restrained. For each, the difference from the distance between the corresponding atoms in the related chain is found. LSSR applies a restraint penalty on each difference. A functional form that reaches a plateau for large differences is used to avoid the restraints distorting parts of the structure that are not similar. Because LSSR are local, there is no need to separate out domains. Some restraint pruning is still necessary, but this has been automated. LSSR have been available to academic users of BUSTER since 2009 with the easy-to-use -autoncs and -target target.pdb options. The use of LSSR is illustrated in the re-refinement of PDB entries 5rnt, where -target enables the correct ligand-binding structure to be found, and 1osg, where -autoncs contributes to the location of an additional copy of the cyclic peptide ligand.

Materials refining on the Moon

NASA Astrophysics Data System (ADS)

Landis, Geoffrey A.

2007-05-01

Oxygen, metals, silicon, and glass are raw materials that will be required for long-term habitation and production of structural materials and solar arrays on the Moon. A process sequence is proposed for refining these materials from lunar regolith, consisting of separating the required materials from lunar rock with fluorine. The fluorine is brought to the Moon in the form of potassium fluoride, and is liberated from the salt by electrolysis in a eutectic salt melt. Tetrafluorosilane produced by this process is reduced to silicon by a plasma reduction stage; the fluorine salts are reduced to metals by reaction with metallic potassium. Fluorine is recovered from residual MgF and CaF2 by reaction with K2O.

A Robust and Scalable Software Library for Parallel Adaptive Refinement on Unstructured Meshes

NASA Technical Reports Server (NTRS)

Lou, John Z.; Norton, Charles D.; Cwik, Thomas A.

1999-01-01

The design and implementation of Pyramid, a software library for performing parallel adaptive mesh refinement (PAMR) on unstructured meshes, is described. This software library can be easily used in a variety of unstructured parallel computational applications, including parallel finite element, parallel finite volume, and parallel visualization applications using triangular or tetrahedral meshes. The library contains a suite of well-designed and efficiently implemented modules that perform operations in a typical PAMR process. Among these are mesh quality control during successive parallel adaptive refinement (typically guided by a local-error estimator), parallel load-balancing, and parallel mesh partitioning using the ParMeTiS partitioner. The Pyramid library is implemented in Fortran 90 with an interface to the Message-Passing Interface (MPI) library, supporting code efficiency, modularity, and portability. An EM waveguide filter application, adaptively refined using the Pyramid library, is illustrated.

Parallel Adaptive Mesh Refinement for High-Order Finite-Volume Schemes in Computational Fluid Dynamics

NASA Astrophysics Data System (ADS)

Schwing, Alan Michael

For computational fluid dynamics, the governing equations are solved on a discretized domain of nodes, faces, and cells. The quality of the grid or mesh can be a driving source for error in the results. While refinement studies can help guide the creation of a mesh, grid quality is largely determined by user expertise and understanding of the flow physics. Adaptive mesh refinement is a technique for enriching the mesh during a simulation based on metrics for error, impact on important parameters, or location of important flow features. This can offload from the user some of the difficult and ambiguous decisions necessary when discretizing the domain. This work explores the implementation of adaptive mesh refinement in an implicit, unstructured, finite-volume solver. Consideration is made for applying modern computational techniques in the presence of hanging nodes and refined cells. The approach is developed to be independent of the flow solver in order to provide a path for augmenting existing codes. It is designed to be applicable for unsteady simulations and refinement and coarsening of the grid does not impact the conservatism of the underlying numerics. The effect on high-order numerical fluxes of fourth- and sixth-order are explored. Provided the criteria for refinement is appropriately selected, solutions obtained using adapted meshes have no additional error when compared to results obtained on traditional, unadapted meshes. In order to leverage large-scale computational resources common today, the methods are parallelized using MPI. Parallel performance is considered for several test problems in order to assess scalability of both adapted and unadapted grids. Dynamic repartitioning of the mesh during refinement is crucial for load balancing an evolving grid. Development of the methods outlined here depend on a dual-memory approach that is described in detail. Validation of the solver developed here against a number of motivating problems shows favorable

Shear zones bounding the central zone of the Limpopo Mobile Belt, southern Africa

NASA Astrophysics Data System (ADS)

McCouri, Stephen; Vearncombe, Julian R.

Contrary to previously suggested north-directed thrust emplacement of the central zone of the Limpopo mobile belt, we present evidence indicating west-directed emplacement. The central zone differs from the marginal zones in rock types, structural style and isotopic signature and is an allochthonous thrust sheet. It is bounded in the north by the dextral Tuli-Sabi shear zone and in the south by the sinistral Palala shear zone which are crustal-scale lateral ramps. Published gravity data suggest that the lateral ramps are linked at depth and they probably link at the surface, in a convex westward frontal ramp, in the vicinity of longitude 26°30'E in eastern Botswana. Two phases of movement, the first between 2.7 and 2.6 Ga and the second between 2.0 and 1.8 Ga. occurred on both the Tuli-Sabi and the Palala shear zones.

Freeway work zone lane capacity.

DOT National Transportation Integrated Search

2009-01-01

The focus of this report is a capacity analysis of two long-term urban freeway Work Zones. Work Zone #1 : tapered four mainline lanes to two, using two separate tapers; Work Zone #2 tapered two mainline lanes to one. : Work Zone throughput was analyz...

78 FR 49508 - Tesoro Refining & Marketing Company LLC; Supplemental Notice That Initial Market-Based Rate...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-14

... Refining & Marketing Company LLC; Supplemental Notice That Initial Market-Based Rate Filing Includes... proceeding of Tesoro Refining & Marketing Company LLC's application for market-based rate authority, with an... of protests and interventions in lieu of paper, using the FERC Online links at http://www.ferc.gov...

78 FR 16262 - Tesoro Refining & Marketing Company LLC; Supplemental Notice That Initial Market-Based Rate...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-14

... Refining & Marketing Company LLC; Supplemental Notice That Initial Market-Based Rate Filing Includes... proceeding, of Tesoro Refining & Marketing Company LLC's application for market- based rate authority, with... submission of protests and interventions in lieu of paper, using the FERC Online links at http://www.ferc.gov...

Refining King and Baxter Magolda's Model of Intercultural Maturity

ERIC Educational Resources Information Center

Perez, Rosemary J.; Shim, Woojeong; King, Patricia M.; Baxter Magolda, Marcia B.

2015-01-01

This study examined 110 intercultural experiences from 82 students attending six colleges and universities to explore how students' interpretations of their intercultural experiences reflected their developmental capacities for intercultural maturity. Our analysis of students' experiences confirmed as well as refined and expanded King and Baxter…

Use of mechanical refining to improve the production of low-cost sugars from lignocellulosic biomass.

PubMed

Park, Junyeong; Jones, Brandon; Koo, Bonwook; Chen, Xiaowen; Tucker, Melvin; Yu, Ju-Hyun; Pschorn, Thomas; Venditti, Richard; Park, Sunkyu

2016-01-01

Mechanical refining is widely used in the pulp and paper industry to enhance the end-use properties of products by creating external fibrillation and internal delamination. This technology can be directly applied to biochemical conversion processes. By implementing mechanical refining technology, biomass recalcitrance to enzyme hydrolysis can be overcome and carbohydrate conversion can be enhanced with commercially attractive levels of enzymes. In addition, chemical and thermal pretreatment severity can be reduced to achieve the same level of carbohydrate conversion, which reduces pretreatment cost and results in lower concentrations of inhibitors. Refining is versatile and a commercially proven technology that can be operated at process flows of ∼ 1500 dry tons per day of biomass. This paper reviews the utilization of mechanical refining in the pulp and paper industry and summarizes the recent development in applications for biochemical conversion, which potentially make an overall biorefinery process more economically viable. Copyright © 2015 Elsevier Ltd. All rights reserved.

Risk Assessment: Perchloroethylene Dry Cleaners Refined Human Health Risk Characterization

EPA Pesticide Factsheets

This November 2005 memo and appendices describe the methods by which EPA conducted its refined risk assessment of the Major Source and Area Source facilities within the perchloroethylene (perc) dry cleaners source category.

75 FR 50796 - Fiscal Year 2011 Tariff-Rate Quota Allocations for Raw Cane Sugar, Refined and Specialty Sugar...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-17

... for Raw Cane Sugar, Refined and Specialty Sugar, and Sugar-Containing Products AGENCY: Office of the... quantity of the tariff-rate quotas for imported raw cane sugar, refined and specialty sugar, and sugar... imports of raw cane sugar and refined sugar. Pursuant to Additional U.S. Note 8 to Chapter 17 of the HTS...

Flow zone characterisation in a fractured aquifer using spring and open-well T and EC monitoring.

NASA Astrophysics Data System (ADS)

Agbotui, Prodeo; West, Landis; Bottrell, Simon

2017-04-01

The Cretaceous Chalk is a very important aquifer in England, and its relatively high transmissivity derives essentially from a well-developed network of solutionally-enhanced fractures and conduits. Like other fractured aquifers, characterisation and delineation of flow pathways and hence catchment boundaries is important. Determination of flow pathways for source catchment delineation (e.g. identification of safeguarding zones around wells) is critical for the effective management and protection of the groundwater resource. It also determines the areal extent of contamination from known sources, and enables the targeted sampling of flow zones e.g. for monitored natural attenuation (MNA). A rather simplistic conceptualisation of the unconfined chalk aquifer of East Yorkshire is currently used as a basis for numerical simulations: linearly reducing hydraulic conductivity (K) with depth below the maximum groundwater elevation, reducing to a minimum value below the zone of groundwater table fluctuation. This study represents an attempt to improve this conceptualisation via improved characterisation of permeable zones within the aquifer. The methods used are: pumping test drawdown analyses for transmissivity, ambient open-well dilution testing; rainfall, groundwater head, and spring / open-well specific electrical conductance (SEC) and temperature monitoring. Pumping test analyses yield overall well transmissivity; the open-well dilution/monitoring approach identifies inflow, outflow, crossflow zones and direction and rate of flow in wells; seasonal changes in flows in wells and springs reflect the annual recharge and recession cycle and the impact of seasonal hydraulic head variation on the activation/deactivation of permeable pathways. Variations in spring and well-water electrical conductivity / temperature provide insight into groundwater residence times and the degree of isolation of groundwater from atmospheric and soil zone sources of CO2. The results of the

76 FR 45246 - Tesoro Refining and Marketing Company v. SFPP, L.P.; Notice of Complaint

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-28

... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission [Docket No. OR11-19-000] Tesoro Refining and Marketing Company v. SFPP, L.P.; Notice of Complaint Take notice that on July 20, 2011, pursuant...), Tesoro Refining and Marketing Company (Tesoro) filed a formal complaint against SFPP, L.P. (SFPP). Tesoro...

33 CFR 165.503 - Security Zone; Captain of the Port Hampton Roads Zone.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Port Hampton Roads Zone. 165.503 Section 165.503 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) PORTS AND WATERWAYS SAFETY REGULATED NAVIGATION AREAS AND LIMITED... § 165.503 Security Zone; Captain of the Port Hampton Roads Zone. (a) Definitions. As used in this...

Refined views of multi-protein complexes in the erythrocyte membrane

PubMed Central

Mankelow, TJ; Satchwell, TJ; Burton, NM

2015-01-01

The erythrocyte membrane has been extensively studied, both as a model membrane system and to investigate its role in gas exchange and transport. Much is now known about the protein components of the membrane, how they are organised into large multi-protein complexes and how they interact with each other within these complexes. Many links between the membrane and the cytoskeleton have also been delineated and have been demonstrated to be crucial for maintaining the deformability and integrity of the erythrocyte. In this study we have refined previous, highly speculative molecular models of these complexes by including the available data pertaining to known protein-protein interactions. While the refined models remain highly speculative, they provide an evolving framework for visualisation of these important cellular structures at the atomic level. PMID:22465511

The effect of melt refining upon inclusions in aluminum

NASA Astrophysics Data System (ADS)

Simensen, C. J.

1982-03-01

A series of aluminum melts has been refined with respect to inclusions by use of ALCOA 469, FILD, or SNIF. The content and size distribution of inclusions in the original-and the refined melts-have been measured by use of neutron activation (oxygen content), gas chromatography (carbide content), sedimentation analysis, and dissolution of metal in hydrochloric acid and subsequent analysis of oxides by means of a Coulter Counter. All the units tested have a beneficial effect and decrease the inclusion content, but the number of analyses are too few to make general conclusions. However, for melts cleaned by use of SNIF, it was found that oxides larger than 50 μm in cross section and borides larger than 20 μm in diameter were removed, while the smaller borides were agglomerated only. The effect of FILD and ALCOA 469 upon the melt tested was removal of borides larger than 5-10 μ m and oxides larger than 15μm in diameter, respectively.

Refined Simulation of Satellite Laser Altimeter Full Echo Waveform

NASA Astrophysics Data System (ADS)

Men, H.; Xing, Y.; Li, G.; Gao, X.; Zhao, Y.; Gao, X.

2018-04-01

The return waveform of satellite laser altimeter plays vital role in the satellite parameters designation, data processing and application. In this paper, a method of refined full waveform simulation is proposed based on the reflectivity of the ground target, the true emission waveform and the Laser Profile Array (LPA). The ICESat/GLAS data is used as the validation data. Finally, we evaluated the simulation accuracy with the correlation coefficient. It was found that the accuracy of echo simulation could be significantly improved by considering the reflectivity of the ground target and the emission waveform. However, the laser intensity distribution recorded by the LPA has little effect on the echo simulation accuracy when compared with the distribution of the simulated laser energy. At last, we proposed a refinement idea by analyzing the experimental results, in the hope of providing references for the waveform data simulation and processing of GF-7 satellite in the future.

One technique for refining the global Earth gravity models

NASA Astrophysics Data System (ADS)

Koneshov, V. N.; Nepoklonov, V. B.; Polovnev, O. V.

2017-01-01

The results of the theoretical and experimental research on the technique for refining the global Earth geopotential models such as EGM2008 in the continental regions are presented. The discussed technique is based on the high-resolution satellite data for the Earth's surface topography which enables the allowance for the fine structure of the Earth's gravitational field without the additional gravimetry data. The experimental studies are conducted by the example of the new GGMplus global gravity model of the Earth with a resolution about 0.5 km, which is obtained by expanding the EGM2008 model to degree 2190 with the corrections for the topograohy calculated from the SRTM data. The GGMplus and EGM2008 models are compared with the regional geoid models in 21 regions of North America, Australia, Africa, and Europe. The obtained estimates largely support the possibility of refining the global geopotential models such as EGM2008 by the procedure implemented in GGMplus, particularly in the regions with relatively high elevation difference.

Iterative feature refinement for accurate undersampled MR image reconstruction

NASA Astrophysics Data System (ADS)

Wang, Shanshan; Liu, Jianbo; Liu, Qiegen; Ying, Leslie; Liu, Xin; Zheng, Hairong; Liang, Dong

2016-05-01

Accelerating MR scan is of great significance for clinical, research and advanced applications, and one main effort to achieve this is the utilization of compressed sensing (CS) theory. Nevertheless, the existing CSMRI approaches still have limitations such as fine structure loss or high computational complexity. This paper proposes a novel iterative feature refinement (IFR) module for accurate MR image reconstruction from undersampled K-space data. Integrating IFR with CSMRI which is equipped with fixed transforms, we develop an IFR-CS method to restore meaningful structures and details that are originally discarded without introducing too much additional complexity. Specifically, the proposed IFR-CS is realized with three iterative steps, namely sparsity-promoting denoising, feature refinement and Tikhonov regularization. Experimental results on both simulated and in vivo MR datasets have shown that the proposed module has a strong capability to capture image details, and that IFR-CS is comparable and even superior to other state-of-the-art reconstruction approaches.

33 CFR 3.35-10 - Sector Miami Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2014 CFR

2014-07-01

... Zone and Captain of the Port Zone. 3.35-10 Section 3.35-10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY GENERAL COAST GUARD AREAS, DISTRICTS, SECTORS, MARINE INSPECTION ZONES, AND CAPTAIN OF THE PORT ZONES Seventh Coast Guard District § 3.35-10 Sector Miami Marine Inspection Zone and...

33 CFR 3.40-10 - Sector Mobile Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Zone and Captain of the Port Zone. 3.40-10 Section 3.40-10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY GENERAL COAST GUARD AREAS, DISTRICTS, SECTORS, MARINE INSPECTION ZONES, AND CAPTAIN OF THE PORT ZONES Eighth Coast Guard District § 3.40-10 Sector Mobile Marine Inspection Zone and...

33 CFR 3.40-10 - Sector Mobile Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Zone and Captain of the Port Zone. 3.40-10 Section 3.40-10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY GENERAL COAST GUARD AREAS, DISTRICTS, SECTORS, MARINE INSPECTION ZONES, AND CAPTAIN OF THE PORT ZONES Eighth Coast Guard District § 3.40-10 Sector Mobile Marine Inspection Zone and...

33 CFR 3.40-10 - Sector Mobile Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Zone and Captain of the Port Zone. 3.40-10 Section 3.40-10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY GENERAL COAST GUARD AREAS, DISTRICTS, SECTORS, MARINE INSPECTION ZONES, AND CAPTAIN OF THE PORT ZONES Eighth Coast Guard District § 3.40-10 Sector Mobile Marine Inspection Zone and...

33 CFR 3.35-10 - Sector Miami Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Zone and Captain of the Port Zone. 3.35-10 Section 3.35-10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY GENERAL COAST GUARD AREAS, DISTRICTS, SECTORS, MARINE INSPECTION ZONES, AND CAPTAIN OF THE PORT ZONES Seventh Coast Guard District § 3.35-10 Sector Miami Marine Inspection Zone and...

33 CFR 3.35-10 - Sector Miami Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Zone and Captain of the Port Zone. 3.35-10 Section 3.35-10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY GENERAL COAST GUARD AREAS, DISTRICTS, SECTORS, MARINE INSPECTION ZONES, AND CAPTAIN OF THE PORT ZONES Seventh Coast Guard District § 3.35-10 Sector Miami Marine Inspection Zone and...

33 CFR 3.40-10 - Sector Mobile Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2014 CFR

2014-07-01

... Zone and Captain of the Port Zone. 3.40-10 Section 3.40-10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY GENERAL COAST GUARD AREAS, DISTRICTS, SECTORS, MARINE INSPECTION ZONES, AND CAPTAIN OF THE PORT ZONES Eighth Coast Guard District § 3.40-10 Sector Mobile Marine Inspection Zone and...

33 CFR 3.35-10 - Sector Miami Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Zone and Captain of the Port Zone. 3.35-10 Section 3.35-10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY GENERAL COAST GUARD AREAS, DISTRICTS, SECTORS, MARINE INSPECTION ZONES, AND CAPTAIN OF THE PORT ZONES Seventh Coast Guard District § 3.35-10 Sector Miami Marine Inspection Zone and...

33 CFR 3.65-15 - Sector Portland Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Zone and Captain of the Port Zone. 3.65-15 Section 3.65-15 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY GENERAL COAST GUARD AREAS, DISTRICTS, SECTORS, MARINE INSPECTION ZONES, AND CAPTAIN OF THE PORT ZONES Thirteenth Coast Guard District § 3.65-15 Sector Portland Marine Inspection Zone...

33 CFR 3.35-10 - Sector Miami Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Zone and Captain of the Port Zone. 3.35-10 Section 3.35-10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY GENERAL COAST GUARD AREAS, DISTRICTS, SECTORS, MARINE INSPECTION ZONES, AND CAPTAIN OF THE PORT ZONES Seventh Coast Guard District § 3.35-10 Sector Miami Marine Inspection Zone and...

33 CFR 3.40-10 - Sector Mobile Marine Inspection Zone and Captain of the Port Zone.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Zone and Captain of the Port Zone. 3.40-10 Section 3.40-10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY GENERAL COAST GUARD AREAS, DISTRICTS, SECTORS, MARINE INSPECTION ZONES, AND CAPTAIN OF THE PORT ZONES Eighth Coast Guard District § 3.40-10 Sector Mobile Marine Inspection Zone and...

Boundaries of intergrowths between mineral individuals: A zone of secondary mineral formation in aggregates

NASA Astrophysics Data System (ADS)

Brodskaya, R. L.; Bil'Skaya, I. V.; Lyakhnitskaya, V. D.; Markovsky, B. A.; Sidorov, E. G.

2007-12-01

Intergrowth boundaries between mineral individuals in dunite of the Gal’moenan massif in Koryakia was studied in terms of crystal morphology, crystal optics, and ontogenesis. The results obtained allowed us to trace the staged formation of olivine and chromite and four generations of these minerals. Micro-and nanotopography of boundary surfaces between intergrown mineral individuals of different generations was examined with optic, electron, and atomic force microscopes. The boundaries between mineral individuals of different generations are distinguished by their microsculpture for both olivine and chromite grains. Both minerals demonstrate a compositional trend toward refinement from older to younger generations. The decrease in the iron mole fraction in olivine and chromite is accompanied by the crystallization of magnetite along weakened zones in olivine of the first generation and as outer rims around the chromite grains of the second generation observable under optic and electronic microscopes. The subsequent refinement of chromite results in the release of PGE from its lattice, as established by atomic power microscopy. The newly formed PGM are localized at the boundaries between mineral individuals and, thus, mark a special stage in the ontogenetic evolution of mineral aggregates. Further recrystallization is expressed in the spatial redistribution of grain boundaries and the formation of monomineralic intergrowth boundaries, i.e., the glomerogranular structure of rock and substructures of PGM, chromite, and olivine grains as intermediate types of organization of the granular assemblies in the form of reticulate, chain, and cellular structures and substructures of aggregates.

Mushy zone modeling

NASA Astrophysics Data System (ADS)

Glicksman, Martin E.; Smith, Richard N.; Marsh, Steven P.; Kuklinski, Robert

A key element of mushy zone modeling is the description of the microscopic evolution of the lengthscales within the mushy zone and the influence of macroscopic transport processes. This paper describes some recent progress in developing a mean-field statistical theory of phase coarsening in adiabatic mushy zones. The main theoretical predictions are temporal scaling laws that indicate that average lengthscale increases as time 1/3, a self-similar distribution of mushy zone lengthscales based on spherical solid particle shapes, and kinetic rate constants which provide the dependences of the coarsening process on material parameters and the volume fraction of the solid phase. High precision thermal decay experiments are described which verify aspects of the theory in pure material mushy zones held under adiabatic conditions. The microscopic coarsening theory is then integrated within a macroscopic heat transfer model of one-dimensional alloy solidification, using the Double Integral Method. The method demonstrates an ability to predict the influence of macroscopic heat transfer on the evolution of primary and secondary dendrite arm spacings in Al-Cu alloys. Finally, some suggestions are made for future experimental and theoretical studies required in developing comprehensive solidification processing models.

47 CFR 73.609 - Zones.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 47 Telecommunication 4 2014-10-01 2014-10-01 false Zones. 73.609 Section 73.609 Telecommunication... Broadcast Stations § 73.609 Zones. (a) For the purpose of allotment and assignment, the United States is divided into three zones as follows: (1) Zone I consists of that portion of the United States located...

47 CFR 73.609 - Zones.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 47 Telecommunication 4 2010-10-01 2010-10-01 false Zones. 73.609 Section 73.609 Telecommunication... Broadcast Stations § 73.609 Zones. (a) For the purpose of allotment and assignment, the United States is divided into three zones as follows: (1) Zone I consists of that portion of the United States located...

47 CFR 73.609 - Zones.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 47 Telecommunication 4 2013-10-01 2013-10-01 false Zones. 73.609 Section 73.609 Telecommunication... Broadcast Stations § 73.609 Zones. (a) For the purpose of allotment and assignment, the United States is divided into three zones as follows: (1) Zone I consists of that portion of the United States located...

47 CFR 73.609 - Zones.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 47 Telecommunication 4 2012-10-01 2012-10-01 false Zones. 73.609 Section 73.609 Telecommunication... Broadcast Stations § 73.609 Zones. (a) For the purpose of allotment and assignment, the United States is divided into three zones as follows: (1) Zone I consists of that portion of the United States located...

47 CFR 73.609 - Zones.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 47 Telecommunication 4 2011-10-01 2011-10-01 false Zones. 73.609 Section 73.609 Telecommunication... Broadcast Stations § 73.609 Zones. (a) For the purpose of allotment and assignment, the United States is divided into three zones as follows: (1) Zone I consists of that portion of the United States located...

Production and characterization of refined oils obtained from Indian oil sardine (Sardinella longiceps).

PubMed

Chakraborty, Kajal; Joseph, Deepu