Changes in the temperature-dependent specific volume of supported polystyrene films with film thickness.

PubMed

Huang, Xinru; Roth, Connie B

2016-06-21

Recent studies have measured or predicted thickness-dependent shifts in density or specific volume of polymer films as a possible means of understanding changes in the glass transition temperature Tg(h) with decreasing film thickness with some experimental works claiming unrealistically large (25%-30%) increases in film density with decreasing thickness. Here we use ellipsometry to measure the temperature-dependent index of refraction of polystyrene (PS) films supported on silicon and investigate the validity of the commonly used Lorentz-Lorenz equation for inferring changes in density or specific volume from very thin films. We find that the density (specific volume) of these supported PS films does not vary by more than ±0.4% of the bulk value for film thicknesses above 30 nm, and that the small variations we do observe are uncorrelated with any free volume explanation for the Tg(h) decrease exhibited by these films. We conclude that the derivation of the Lorentz-Lorenz equation becomes invalid for very thin films as the film thickness approaches ∼20 nm, and that reports of large density changes greater than ±1% of bulk for films thinner than this likely suffer from breakdown in the validity of this equation or in the difficulties associated with accurately measuring the index of refraction of such thin films. For larger film thicknesses, we do observed small variations in the effective specific volume of the films of 0.4 ± 0.2%, outside of our experimental error. These shifts occur simultaneously in both the liquid and glassy regimes uniformly together starting at film thicknesses less than ∼120 nm but appear to be uncorrelated with Tg(h) decreases; possible causes for these variations are discussed.

Correlations Between Magnetic Flux and Levitation Force of HTS Bulk Above a Permanent Magnet Guideway

NASA Astrophysics Data System (ADS)

Huang, Huan; Zheng, Jun; Zheng, Botian; Qian, Nan; Li, Haitao; Li, Jipeng; Deng, Zigang

2017-10-01

In order to clarify the correlations between magnetic flux and levitation force of the high-temperature superconducting (HTS) bulk, we measured the magnetic flux density on bottom and top surfaces of a bulk superconductor while vertically moving above a permanent magnet guideway (PMG). The levitation force of the bulk superconductor was measured simultaneously. In this study, the HTS bulk was moved down and up for three times between field-cooling position and working position above the PMG, followed by a relaxation measurement of 300 s at the minimum height position. During the whole processes, the magnetic flux density and levitation force of the bulk superconductor were recorded and collected by a multipoint magnetic field measurement platform and a self-developed maglev measurement system, respectively. The magnetic flux density on the bottom surface reflected the induced field in the superconductor bulk, while on the top, it reveals the penetrated magnetic flux. The results show that the magnetic flux density and levitation force of the bulk superconductor are in direct correlation from the viewpoint of inner supercurrent. In general, this work is instructive for understanding the connection of the magnetic flux density, the inner current density and the levitation behavior of HTS bulk employed in a maglev system. Meanwhile, this magnetic flux density measurement method has enriched present experimental evaluation methods of maglev system.

The particle size distribution, density, and specific surface area of welding fumes from SMAW and GMAW mild and stainless steel consumables.

PubMed

Hewett, P

1995-02-01

Particle size distributions were measured for fumes from mild steel (MS) and stainless steel (SS); shielded metal arc welding (SMAW) and gas metal arc welding (GMAW) consumables. Up to six samples of each type of fume were collected in a test chamber using a micro-orifice uniform deposit (cascade) impactor. Bulk samples were collected for bulk fume density and specific surface area analysis. Additional impactor samples were collected using polycarbonate substrates and analyzed for elemental content. The parameters of the underlying mass distributions were estimated using a nonlinear least squares analysis method that fits a smooth curve to the mass fraction distribution histograms of all samples for each type of fume. The mass distributions for all four consumables were unimodal and well described by a lognormal distribution; with the exception of the GMAW-MS and GMAW-SS comparison, they were statistically different. The estimated mass distribution geometric means for the SMAW-MS and SMAW-SS consumables were 0.59 and 0.46 micron aerodynamic equivalent diameter (AED), respectively, and 0.25 micron AED for both the GMAW-MS and GMAW-SS consumables. The bulk fume densities and specific surface areas were similar for the SMAW-MS and SMAW-SS consumables and for the GMAW-MS and GMAW-SS consumables, but differed between SMAW and GMAW. The distribution of metals was similar to the mass distributions. Particle size distributions and physical properties of the fumes were considerably different when categorized by welding method. Within each welding method there was little difference between MS and SS fumes.

EFFECTIVE POROSITY IMPLIES EFFECTIVE BULK DENSITY IN SORBING SOLUTE TRANSPORT

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

Flach, G.

2012-02-27

The concept of an effective porosity is widely used in solute transport modeling to account for the presence of a fraction of the medium that effectively does not influence solute migration, apart from taking up space. This non-participating volume or ineffective porosity plays the same role as the gas phase in single-phase liquid unsaturated transport: it increases pore velocity, which is useful towards reproducing observed solute travel times. The prevalent use of the effective porosity concept is reflected by its prominent inclusion in popular texts, e.g., de Marsily (1986), Fetter (1988, 1993) and Zheng and Bennett (2002). The purpose ofmore » this commentary is to point out that proper application of the concept for sorbing solutes requires more than simply reducing porosity while leaving other material properties unchanged. More specifically, effective porosity implies the corresponding need for an effective bulk density in a conventional single-porosity model. The reason is that the designated non-participating volume is composed of both solid and fluid phases, both of which must be neglected for consistency. Said another way, if solute does not enter the ineffective porosity then it also cannot contact the adjoining solid. Conceptually neglecting the fluid portion of the non-participating volume leads to a lower (effective) porosity. Likewise, discarding the solid portion of the non-participating volume inherently leads to a lower or effective bulk density. In the author's experience, practitioners virtually never adjust bulk density when adopting the effective porosity approach.« less

Impurity concentrations and surface charge densities on the heavily doped face of a silicon solar cell

NASA Technical Reports Server (NTRS)

Weinberg, I.; Hsu, L. C.

1977-01-01

Increased solar cell efficiencies are attained by reduction of surface recombination and variation of impurity concentration profiles at the n(+) surface of silicon solar cells. Diagnostic techniques are employed to evaluate the effects of specific materials preparation methodologies on surface and near surface concentrations. It is demonstrated that the MOS C-V method, when combined with a bulk measurement technique, yields more complete concentration data than are obtainable by either method alone. Specifically, new solar cell MOS C-V measurements are combined with bulk concentrations obtained by a successive layer removal technique utilizing measurements of sheet resistivity and Hall coefficient.

Temporal soil bulk density following tillage

USDA-ARS?s Scientific Manuscript database

Soil is the medium for air, energy, water, and chemical transport between the atmosphere and the solid earth. Soil bulk density is a key variable impacting the rate at which this transport occurs. Typically, soil bulk density is measured by the gravimetric method, where a sample of known volume is t...

[Spatial variation characteristics of surface soil water content, bulk density and saturated hydraulic conductivity on Karst slopes].

PubMed

Zhang, Chuan; Chen, Hong-Song; Zhang, Wei; Nie, Yun-Peng; Ye, Ying-Ying; Wang, Ke-Lin

2014-06-01

Surface soil water-physical properties play a decisive role in the dynamics of deep soil water. Knowledge of their spatial variation is helpful in understanding the processes of rainfall infiltration and runoff generation, which will contribute to the reasonable utilization of soil water resources in mountainous areas. Based on a grid sampling scheme (10 m x 10 m) and geostatistical methods, this paper aimed to study the spatial variability of surface (0-10 cm) soil water content, soil bulk density and saturated hydraulic conductivity on a typical shrub slope (90 m x 120 m, projected length) in Karst area of northwest Guangxi, southwest China. The results showed that the surface soil water content, bulk density and saturated hydraulic conductivity had different spatial dependence and spatial structure. Sample variogram of the soil water content was fitted well by Gaussian models with the nugget effect, while soil bulk density and saturated hydraulic conductivity were fitted well by exponential models with the nugget effect. Variability of soil water content showed strong spatial dependence, while the soil bulk density and saturated hydraulic conductivity showed moderate spatial dependence. The spatial ranges of the soil water content and saturated hydraulic conductivity were small, while that of the soil bulk density was much bigger. In general, the soil water content increased with the increase of altitude while it was opposite for the soil bulk densi- ty. However, the soil saturated hydraulic conductivity had a random distribution of large amounts of small patches, showing high spatial heterogeneity. Soil water content negatively (P < 0.01) correlated with the bulk density and saturated hydraulic conductivity, while there was no significant correlation between the soil bulk density and saturated hydraulic conductivity.

AB INITIO STUDY OF PHONON DISPERSION AND ELASTIC PROPERTIES OF L12 INTERMETALLICS Ti3Al AND Y3Al

NASA Astrophysics Data System (ADS)

Arikan, N.; Ersen, M.; Ocak, H. Y.; Iyigör, A.; Candan, A.; UǦUR, Ş.; UǦUR, G.; Khenata, R.; Varshney, D.

2013-12-01

In this paper, the structural, elastic and phonon properties of Ti3Al and Y3Al in L12(Cu3Al) phase are studied by performing first-principles calculations within the generalized gradient approximation. The calculated lattice constants, static bulk moduli, first-order pressure derivative of bulk moduli and elastic constants for both compounds are reported. The phonon dispersion curves along several high-symmetry lines at the Brillouin zone, together with the corresponding phonon density of states, are determined using the first-principles linear-response approach of the density functional perturbation theory. Temperature variations of specific heat in the range of 0-500 K are obtained using the quasi-harmonic model.

Evidence for a Low Bulk Crustal Density for Mars from Gravity and Topography.

PubMed

Goossens, Sander; Sabaka, Terence J; Genova, Antonio; Mazarico, Erwan; Nicholas, Joseph B; Neumann, Gregory A

2017-08-16

Knowledge of the average density of the crust of a planet is important in determining its interior structure. The combination of high-resolution gravity and topography data has yielded a low density for the Moon's crust, yet for other terrestrial planets the resolution of the gravity field models has hampered reasonable estimates. By using well-chosen constraints derived from topography during gravity field model determination using satellite tracking data, we show that we can robustly and independently determine the average bulk crustal density directly from the tracking data, using the admittance between topography and imperfect gravity. We find a low average bulk crustal density for Mars, 2582 ± 209 kg m -3 . This bulk crustal density is lower than that assumed until now. Densities for volcanic complexes are higher, consistent with earlier estimates, implying large lateral variations in crustal density. In addition, we find indications that the crustal density increases with depth.

Specific energy consumption and quality of wood pellets produced using high-moisture lodgepole pine grind in a flat die pellet mill

DOE PAGES

Tumuluru, Jaya Shankar

2016-04-16

In the present study a Box–Behnken experimental design was used to understand the effect of the moisture content of lodgepole pine grind (33–39%, w.b.), die speed (40–60 Hz) and preheating temperature (30–90 °C) on the pellet quality and specific energy consumption. The partially dried pellets produced had high-moisture content in the range of 19–28% (w.b.), and were further dried to <9% (w.b.) in a mechanical oven set at 70 °C for 3 h. Dried pellets were further evaluated for pellet moisture content, unit, bulk, tapped density, and durability. Response surface models developed for the product properties have adequately described themore » process based on coefficient of determination values. Surface plots developed indicated higher unit, bulk, and tapped density (1050, 520, 560 kg/m 3) are achievable at 33–35% (w.b.) moisture content of the lodgepole pine grind, die speed of 60 Hz and preheating temperature of 30–60 °C. Higher moisture content of 39% (w.b) reduced unit, bulk, and tapped density to <912, 396, and 452 kg/m 3. Higher durability values of >95% were obtained at 33–35% (w.b.) at lower preheating temperatures of 30–50 °C and higher die speed of >50 Hz. At 33% (w.b.) moisture content of the lodgepole pine grind, preheating temperature of 90 °C, and die speed of 60 Hz, the observed specific energy consumption was <116 kW h/ton. As a result, scanning electron microscope studies indicated that lignin crosslinking is the primary reason for binding of the lodgepole pine grind at high-moisture content.« less

Freeze drying vs microwave drying-methods for synthesis of sinteractive thoria powders

NASA Astrophysics Data System (ADS)

Annie, D.; Chandramouli, V.; Anthonysamy, S.; Ghosh, Chanchal; Divakar, R.

2017-02-01

Thoria powders were synthesized by oxalate precipitation from an aqueous solution of the nitrate. The filtered precipitates were freeze dried or microwave dried before being calcined at 1073 K. The thoria powders obtained were characterized for crystallite size, specific surface area, bulk density, particle size distribution and residual carbon. Microstructure of the product was studied using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Sinterability of the synthesized powders was studied by measuring the density of the sintered compacts. Powders that can be consolidated and sintered to densities ∼96% theoretical density (TD) at 1773 K were obtained.

Meteoroid Bulk Density and Ceplecha Types

NASA Technical Reports Server (NTRS)

Blaauw, R. C.; Moser, D. E.; Moorhead, A. V.

2017-01-01

Determination of asteroid bulk density is an important aspect of NEO characterization, yet difficult to measure. As a fraction of meteoroids originate from asteroids (including some NEOs), a study of meteoroid bulk densities can potentially provide useful insights into the densities of NEOs and PHOs in lieu of mutual perturbations, satellite, or expensive spacecraft missions. NASA's Meteoroid Environment Office characterizes the meteoroid environment for the purpose of spacecraft risk and operations. To accurately determine the risk, a distribution of meteoroid bulk densities are needed. This is not trivial to determine. If the particle survives to the ground the bulk density can be directly measured, however only the most dense particles land on the Earth. The next best approach is to model the meteor's ablation, which is not straightforward. Clear deceleration is necessary to do this and there are discrepancies in results between models. One approach to a distribution of bulk density is to use a measured proxy for the densities, then calibrate the proxy with known densities from meteorite falls, ablation modelling, and other sources. An obvious proxy choice is the Ceplecha type, K(sub B), thought to indicate the strength of a meteoroid. KB is frequented cited as a good proxy for meteoroid densities, but we find it is poorly correlated with density. However, a distinct split by dynamical type was seen with Jovian Tisserand parameter, T(sub J), with meteoroids from Halley Type comets (T(sub J less than 2 ) exhibiting much lower densities than those originating from Jupiter and asteroids (T(sub J greater than 2).

Short communication: Correlation between within-herd antibody-prevalence and bulk tank milk antibody levels to Mycobacterium avium ssp. paratuberculosis using 2 commercial immunoassays.

PubMed

Pesqueira, M N; Yus, E; Factor, C; Mato, I; Sanjuán, M L; Eiras, C; Arnaiz, I; Diéguez, F J

2017-09-01

The objective of this study was to determine the correlation between the results obtained with the ELISA technique for antibodies to Mycobacterium avium ssp. paratuberculosis in serum and bulk tank milk at the herd level. For this purpose, 203 samples of bulk tank milk were analyzed with 2 commercial ELISA from dairy herds with a prevalence of seropositive animals that was also determined. In regard to the reference test (results in blood serum), the sensitivity of the bulk tank milk test to detect high-positive herds (≥10% seroprevalence) ranged from 85.7 to 71.4%. The specificity to detect herds with no seropositive animals ranged from 70.5 to 53%. In a quantitative approach, Pearson correlation coefficients, reported as a measure of the linear association between herd seroprevalences and transformed optical density values recorded in bulk tank milk, were 0.39 and 0.54 for the studied ELISA. Although the test results were relatively fairly correlated with the within-herd prevalence, the practical utility of bulk tank milk testing for Mycobacterium avium ssp. paratuberculosis seems limited, especially regarding specificity. Copyright © 2017 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Bulk contribution to magnetotransport properties of low-defect-density Bi2Te3 topological insulator thin films

NASA Astrophysics Data System (ADS)

Ngabonziza, P.; Wang, Y.; Brinkman, A.

2018-04-01

An important challenge in the field of topological materials is to carefully disentangle the electronic transport contribution of the topological surface states from that of the bulk. For Bi2Te3 topological insulator samples, bulk single crystals and thin films exposed to air during fabrication processes are known to be bulk conducting, with the chemical potential in the bulk conduction band. For Bi2Te3 thin films grown by molecular beam epitaxy, we combine structural characterization (transmission electron microscopy), chemical surface analysis as function of time (x-ray photoelectron spectroscopy) and magnetotransport analysis to understand the low defect density and record high bulk electron mobility once charge is doped into the bulk by surface degradation. Carrier densities and electronic mobilities extracted from the Hall effect and the quantum oscillations are consistent and reveal a large bulk carrier mobility. Because of the cylindrical shape of the bulk Fermi surface, the angle dependence of the bulk magnetoresistance oscillations is two dimensional in nature.

Is the bulk mode conversion important in high density helicon plasma?

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

Isayama, Shogo; Hada, Tohru; Shinohara, Shunjiro

2016-06-15

In a high-density helicon plasma production process, a contribution of Trivelpiece-Gould (TG) wave for surface power deposition is widely accepted. The TG wave can be excited either due to an abrupt density gradient near the plasma edge (surface conversion) or due to linear mode conversion from the helicon wave in a density gradient in the bulk region (bulk mode conversion). By numerically solving the boundary value problem of linear coupling between the helicon and the TG waves in a background with density gradient, we show that the efficiency of the bulk mode conversion strongly depends on the dissipation included inmore » the plasma, and the bulk mode conversion is important when the dissipation is small. Also, by performing FDTD simulation, we show the time evolution of energy flux associated with the helicon and the TG waves.« less

Sample sizes to control error estimates in determining soil bulk density in California forest soils

Treesearch

Youzhi Han; Jianwei Zhang; Kim G. Mattson; Weidong Zhang; Thomas A. Weber

2016-01-01

Characterizing forest soil properties with high variability is challenging, sometimes requiring large numbers of soil samples. Soil bulk density is a standard variable needed along with element concentrations to calculate nutrient pools. This study aimed to determine the optimal sample size, the number of observation (n), for predicting the soil bulk density with a...

40 CFR 721.9675 - Titanate [Ti6O13 (2-)], di-po-tas-sium.

Code of Federal Regulations, 2012 CFR

2012-07-01

... bulk density measurements of the PMN substance in the pure form are less than 0.4 g/cm3 or greater than 0.6 g/cm3. The bulk density of each shipment must be verified, by lot, prior to clearing U.S... method of manufacture and bulk density measurements. (2) Limitations or revocation of certain...

40 CFR 721.9675 - Titanate [Ti6O13 (2-)], di-po-tas-sium.

Code of Federal Regulations, 2014 CFR

2014-07-01

... bulk density measurements of the PMN substance in the pure form are less than 0.4 g/cm3 or greater than 0.6 g/cm3. The bulk density of each shipment must be verified, by lot, prior to clearing U.S... method of manufacture and bulk density measurements. (2) Limitations or revocation of certain...

40 CFR 721.9675 - Titanate [Ti6O13 (2-)], di-po-tas-sium.

Code of Federal Regulations, 2011 CFR

2011-07-01

... bulk density measurements of the PMN substance in the pure form are less than 0.4 g/cm3 or greater than 0.6 g/cm3. The bulk density of each shipment must be verified, by lot, prior to clearing U.S... method of manufacture and bulk density measurements. (2) Limitations or revocation of certain...

Surface flux density distribution characteristics of bulk high- Tc superconductor in external magnetic field

NASA Astrophysics Data System (ADS)

Torii, S.; Yuasa, K.

2004-10-01

Various magnetic levitation systems using oxide superconductors are developed as strong pinning forces are obtained in melt-processed bulk. However, the trapped flux of superconductor is moved by flux creep and fluctuating magnetic field. Therefore, to examine the internal condition of superconductor, the authors measure the dynamic surface flux density distribution of YBCO bulk. Flux density measurement system has a structure with the air-core coil and the Hall sensors. Ten Hall sensors are arranged in series. The YBCO bulk, which has 25 mm diameter and 13 mm thickness, is field cooled by liquid nitrogen. After that, magnetic field is changed by the air-core coil. This paper describes about the measured results of flux density distribution of YBCO bulk in the various frequencies of air-core coils currents.

Saturated hydraulic conductivity of US soils grouped according to textural class and bulk density

USDA-ARS?s Scientific Manuscript database

Importance of the saturated hydraulic conductivity as soil hydraulic property led to the development of multiple pedotransfer functions for estimating it. One approach to estimating Ksat was using textural classes rather than specific textural fraction contents as pedotransfer inputs. The objective...

Saturated hydraulic conductivity of US soils grouped according textural class and bulk density

USDA-ARS?s Scientific Manuscript database

Importance of the saturated hydraulic conductivity as soil hydraulic property led to the development of multiple pedotransfer functions for estimating it. One approach to estimating Ksat was using textural classes rather than specific textural fraction contents as pedotransfer inputs. The objective...

High moisture corn stover pelleting in a flat die pellet mill fitted with a 6 mm die: physical properties and specific energy consumption

DOE PAGES

Tumuluru, Jaya Shankar

2015-06-15

The quality and specific energy consumption (SEC) of the biomass pellets produced depend upon pelleting process conditions. The present study includes understanding the effect of feedstock moisture in the range of 28–38% (wet basis [w.b.]) and preheating in the range of 30–110°C at two die speeds of 40 and 60 Hz on the physical properties and SEC. A flat die pellet mill fitted with a 6 mm die was used in the present study. The physical properties of pellets such as moisture content, unit, bulk and tapped density, durability, and expansion ratio and SEC of the pelleting process are measured.more » The results indicate that the pellets produced have durability values in the range of 87–98%, and unit bulk and tapped density in the range of 670–1100, 375–575, and 420–620 kg/m³. Increasing the feedstock moisture content from 33% to 38% (w.b) decreased the unit, bulk and tapped density by about 30–40%. Increasing feedstock moisture content increased the expansion ratio and decreased the density values. A higher feedstock moisture content of 38% (w.b.) and higher preheating temperature of 110°C resulted in lower density and a higher expansion ratio, which can be attributed to flash off of moisture as the material extrudes out of the die. The SEC was in the range of 75–275 kWh/ton. Higher feedstock moisture content of 38% (w.b.) and a lower die speed of 40 Hz increased the SEC, whereas lower to medium preheating temperature (30–70°C), medium feedstock moisture content of 33% (w.b.), and a higher die speed of 60 Hz minimized the SEC to <100 kWh/ton.« less

Determination of bulk and interface density of states in metal oxide semiconductor thin-film transistors by using capacitance-voltage characteristics

NASA Astrophysics Data System (ADS)

Wei, Xixiong; Deng, Wanling; Fang, Jielin; Ma, Xiaoyu; Huang, Junkai

2017-10-01

A physical-based straightforward extraction technique for interface and bulk density of states in metal oxide semiconductor thin film transistors (TFTs) is proposed by using the capacitance-voltage (C-V) characteristics. The interface trap density distribution with energy has been extracted from the analysis of capacitance-voltage characteristics. Using the obtained interface state distribution, the bulk trap density has been determined. With this method, for the interface trap density, it is found that deep state density nearing the mid-gap is approximately constant and tail states density increases exponentially with energy; for the bulk trap density, it is a superposition of exponential deep states and exponential tail states. The validity of the extraction is verified by comparisons with the measured current-voltage (I-V) characteristics and the simulation results by the technology computer-aided design (TCAD) model. This extraction method uses non-numerical iteration which is simple, fast and accurate. Therefore, it is very useful for TFT device characterization.

Changes in soil bulk density resulting from construction and conventional cable skidding using preplanned skid trails

Treesearch

Jingxin Wang; Chris B. LeDoux; Pam Edwards

2007-01-01

A harvesting system consisting of chainsaw felling and cable skidder extraction was studied to determine soil bulk density changes in a central Appalachian hardwood forest site. Soil bulk density was measured using a nuclear gauge preharvest and postharvest systematically across the harvest site, on transects across skid trails, and for a subset of skid trail transects...

Dynamics of bulk electron heating and ionization in solid density plasmas driven by ultra-short relativistic laser pulses

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

Huang, L. G., E-mail: lingen.huang@hzdr.de; Kluge, T.; Cowan, T. E.

The dynamics of bulk heating and ionization is investigated both in simulations and theory, which determines the crucial plasma parameters such as plasma temperature and density in ultra-short relativistic laser-solid target interactions. During laser-plasma interactions, the solid density plasma absorbs a fraction of laser energy and converts it into kinetic energy of electrons. A portion of the electrons with relativistic kinetic energy goes through the solid density plasma and transfers energy into the bulk electrons, which results in bulk electron heating. The bulk electron heating is finally translated into the processes of bulk collisional ionization inside the solid target. Amore » simple model based on the Ohmic heating mechanism indicates that the local and temporal profile of bulk return current is essential to determine the temporal evolution of bulk electron temperature. A series of particle-in-cell simulations showing the local heating model is robust in the cases of target with a preplasma and without a preplasma. Predicting the bulk electron heating is then benefit for understanding the collisional ionization dynamics inside the solid targets. The connection of the heating and ionization inside the solid target is further studied using Thomas-Fermi model.« less

Variability of bulk density of distillers dried grains with solubles (DDGS) during gravity-driven discharge.

PubMed

Clementson, C L; Ileleji, K E

2010-07-01

Loading railcars with consistent tonnage has immense cost implications for the shipping of distillers' dried grains with soluble (DDGS) product. Therefore, this study was designed to investigate the bulk density variability of DDGS during filling of railcar hoppers. An apparatus was developed similar to a spinning riffler sampler in order to simulate the filling of railcars at an ethanol plant. There was significant difference (P<0.05) between the initial and final measures of bulk density and particle size as the hoppers were emptied in both mass and funnel flow patterns. Particle segregation that takes place during filling of hoppers contributed to the bulk density variation and was explained by particle size variation. This phenomenon is most likely the same throughout the industry and an appropriate sampling procedure should be adopted for measuring the bulk density of DDGS stored silos or transported in railcar hoppers. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

Non-grazing and gophers lower bulk density and acidity in annual-plant soil

Treesearch

Raymond D. Ratliff; Stanley E. Westfall

1971-01-01

The effects of non-grazing on Ahwahnee coarse sandy loam were studied at the San Joaquin Experimental Range in central California. An exclosure, on which there had been no livestock grazing for 34 years, had a lower surface bulk density and lower acidity than an adjacent range that had been grazed. Bulk density averaged 1.08 gm./cc. on the ungrazed range, and 1.43 gm./...

Estimating carbon and nitrogen pools in a forest soil: Influence of soil bulk density methods and rock content

Treesearch

Martin F. Jurgensen; Deborah S. Page-Dumroese; Robert E. Brown; Joanne M. Tirocke; Chris A. Miller; James B. Pickens; Min Wang

2017-01-01

Soils with high rock content are common in many US forests, and contain large amounts of stored C. Accurate measurements of soil bulk density and rock content are critical for calculating and assessing changes in both C and nutrient pool size, but bulk density sampling methods have limitations and sources of variability. Therefore, we evaluated the use of small-...

Critical soil bulk density for soybean growth in Oxisols

NASA Astrophysics Data System (ADS)

Keisuke Sato, Michel; Veras de Lima, Herdjania; Oliveira, Pedro Daniel de; Rodrigues, Sueli

2015-10-01

The aim of this study was to evaluate the critical soil bulk density from the soil penetration resistance measurements for soybean root growth in Brazilian Amazon Oxisols. The experiment was carried out in a greenhouse using disturbed soil samples collected from the northwest of Para characterized by different texture. The treatments consisted of a range of soil bulk densities for each soil textural class. Three pots were used for soybean growth of and two for the soil penetration resistance curve. From the fitted model, the critical soil bulk density was determined considering the penetration resistance values of 2 and 3 MPa. After sixty days, plants were cut and root length, dry mass of root, and dry mass of shoots were determined. At higher bulk densities, the increase in soil water content decreased the penetration resistance, allowing unrestricted growth of soybean roots. Regardless of soil texture, the penetration resistance of 2 and 3 MPa had a slight effect on root growth in soil moisture at field capacity and a reduction of 50% in the soybean root growth was achieved at critical soil bulk density of 1.82, 1.75, 1.51, and 1.45 Mg m-3 for the sandy loam, sandy clay loam, clayey, and very clayey soil.

Compaction of AWBA fuel pellets without binders (AWBA Development Program)

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

Johnson, R.G.R.

1982-08-01

Highly active oxide fuel powders, composed of UO/sub 2/, UO/sub 2/-ThO/sub 2/, or ThO/sub 2/, were compacted into ultra-high density pellets without the use of binders. The objective of the study was to select the optimum die lubricant for compacting these powders into pellets in preparation for sintering to densities in excess of 97% Theoretical Density. The results showed that sintered density was a function of both the lubricant bulk density and concentration with the lowest bulk density lubricant giving the highest sintered densities with a lubricant concentration of 0.1 weight percent. Five calcium and zinc stearates were evaluated withmore » a calcium stearate with a 15 lb/ft/sup 3/ bulk density being the best lubricant.« less

Effects of varying bulk densities of steam-flaked corn and dietary roughage concentration on in vitro fermentation, performance, carcass quality, and acid-base balance measurements in finishing steers

USDA-ARS?s Scientific Manuscript database

Effects of varying bulk densities of steam-flaked corn (SFC) and level of inclusion of roughage in feedlot diets were evaluated in three experiments. In Experiment 1, 128 beef steers were used in a 2 x 2 factorial arrangement to evaluate effects of bulk density of SFC (335 or 386 g/L) and roughage...

Bacterial quorum sensing and nitrogen cycling in rhizosphere soil

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

DeAngelis, K.M.; Lindow, S.E.; Firestone, M.K.

2008-10-01

Plant photosynthate fuels carbon-limited microbial growth and activity, resulting in increased rhizosphere nitrogen (N)-mineralization. Most soil organic N is macromolecular (chitin, protein, nucleotides); enzymatic depolymerization is likely rate-limiting for plant N accumulation. Analyzing Avena (wild oat) planted in microcosms containing sieved field soil, we observed increased rhizosphere chitinase and protease specific activities, bacterial cell densities, and dissolved organic nitrogen (DON) compared to bulk soil. Low-molecular weight DON (<3000 Da) was undetectable in bulk soil but comprised 15% of rhizosphere DON. Extracellular enzyme production in many bacteria requires quorum sensing (QS), cell-density dependent group behavior. Because proteobacteria are considered major rhizospheremore » colonizers, we assayed the proteobacterial QS signals acyl-homoserine lactones (AHLs), which were significantly increased in the rhizosphere. To investigate the linkage between soil signaling and N cycling, we characterized 533 bacterial isolates from Avena rhizosphere: 24% had chitinase or protease activity and AHL production; disruption of QS in 7 of 8 eight isolates disrupted enzyme activity. Many {alpha}-Proteobacteria were newly found with QS-controlled extracellular enzyme activity. Enhanced specific activities of N-cycling enzymes accompanied by bacterial density-dependent behaviors in rhizosphere soil gives rise to the hypothesis that QS could be a control point in the complex process of rhizosphere N-mineralization.« less

Bulk density of small meteoroids

NASA Astrophysics Data System (ADS)

Kikwaya, J.-B.; Campbell-Brown, M.; Brown, P. G.

2011-06-01

Aims: Here we report on precise metric and photometric observations of 107 optical meteors, which were simultaneously recorded at multiple stations using three different intensified video camera systems. The purpose is to estimate bulk meteoroid density, link small meteoroids to their parent bodies based on dynamical and physical density values expected for different small body populations, to better understand and explain the dynamical evolution of meteoroids after release from their parent bodies. Methods: The video systems used had image sizes ranging from 640 × 480 to 1360 × 1036 pixels, with pixel scales from 0.01° per pixel to 0.05° per pixel, and limiting meteor magnitudes ranging from Mv = +2.5 to +6.0. We find that 78% of our sample show noticeable deceleration, allowing more robust constraints to be placed on density estimates. The density of each meteoroid is estimated by simultaneously fitting the observed deceleration and lightcurve using a model based on thermal fragmentation, conservation of energy and momentum. The entire phase space of the model free parameters is explored for each event to find ranges of parameters which fit the observations within the measurement uncertainty. Results: (a) We have analysed our data by first associating each of our events with one of the five meteoroid classes. The average density of meteoroids whose orbits are asteroidal and chondritic (AC) is 4200 kg m-3 suggesting an asteroidal parentage, possibly related to the high-iron content population. Meteoroids with orbits belonging to Jupiter family comets (JFCs) have an average density of 3100 ± 300 kg m-3. This high density is found for all meteoroids with JFC-like orbits and supports the notion that the refractory material reported from the Stardust measurements of 81P/Wild 2 dust is common among the broader JFC population. This high density is also the average bulk density for the 4 meteoroids with orbits belonging to the Ecliptic shower-type class (ES) also related to JFCs. Both categories we suggest are chondritic based on their high bulk density. Meteoroids of HT (Halley type) orbits have a minimum bulk density value of 360+400-100 kg m-3 and a maximum value of 1510+400-900 kg m-3. This is consistent with many previous works which suggest bulk cometary meteoroid density is low. SA (Sun-approaching)-type meteoroids show a density spread from 1000 kg m-3 to 4000 kg m-3, reflecting multiple origins. (b) We found two different meteor showers in our sample: Perseids (10 meteoroids, ~11% of our sample) with an average bulk density of 620 kg m-3 and Northern Iota Aquariids (4 meteoroids) with an average bulk density of 3200 kg m-3, consistent with the notion that the NIA derive from 2P/Encke.

Near surface bulk density estimates of NEAs from radar observations and permittivity measurements of powdered geologic material

NASA Astrophysics Data System (ADS)

Hickson, Dylan; Boivin, Alexandre; Daly, Michael G.; Ghent, Rebecca; Nolan, Michael C.; Tait, Kimberly; Cunje, Alister; Tsai, Chun An

2018-05-01

The variations in near-surface properties and regolith structure of asteroids are currently not well constrained by remote sensing techniques. Radar is a useful tool for such determinations of Near-Earth Asteroids (NEAs) as the power of the reflected signal from the surface is dependent on the bulk density, ρbd, and dielectric permittivity. In this study, high precision complex permittivity measurements of powdered aluminum oxide and dunite samples are used to characterize the change in the real part of the permittivity with the bulk density of the sample. In this work, we use silica aerogel for the first time to increase the void space in the samples (and decrease the bulk density) without significantly altering the electrical properties. We fit various mixing equations to the experimental results. The Looyenga-Landau-Lifshitz mixing formula has the best fit and the Lichtenecker mixing formula, which is typically used to approximate planetary regolith, does not model the results well. We find that the Looyenga-Landau-Lifshitz formula adequately matches Lunar regolith permittivity measurements, and we incorporate it into an existing model for obtaining asteroid regolith bulk density from radar returns which is then used to estimate the bulk density in the near surface of NEA's (101955) Bennu and (25143) Itokawa. Constraints on the material properties appropriate for either asteroid give average estimates of ρbd = 1.27 ± 0.33g/cm3 for Bennu and ρbd = 1.68 ± 0.53g/cm3 for Itokawa. We conclude that our data suggest that the Looyenga-Landau-Lifshitz mixing model, in tandem with an appropriate radar scattering model, is the best method for estimating bulk densities of regoliths from radar observations of airless bodies.

The temporal changes in saturated hydraulic conductivity of forest soils

NASA Astrophysics Data System (ADS)

Kornél Szegedi, Balázs

2015-04-01

I investigated the temporal variability of forest soils infiltration capacity through compaction. I performed the measurements of mine in The Botanical Garden of Sopron between 15.09.2014 - 15.10.2014. I performed the measurements in 50-50 cm areas those have been cleaned of vegetation, where I measured the bulk density and volume of soil hydraulic conductivity with Tension Disk Infiltrometer (TDI) in 3-3 repetitions. I took undisturbed 160 cm3 from the upper 5 cm layer of the cleaned soil surface for the bulk density measurements. Then I loosened the top 10-15 cm layer of the soil surface with spade. After the cultivation of the soil I measured the bulk density and volume of water conductivity also 3-3 repetitions. Later I performed the hydraulic conductivity (Ksat) using the TDI and bulk density measurements on undisturbed samples on a weekly basis in the study area. I illustrated the measured hydraulic conductivity and bulk density values as a function of cumulative rainfall by using simple graphical and statistical methods. The rate of the soil compaction pace was fast and smooth based on the change of the measured bulk density values. There was a steady downward trend in hydraulic conductivity parallel the compaction. The cultivation increased the hydraulic conductivity nearly fourfold compared to original, than decreased to half by 1 week. In the following the redeposition rate declined, but based on the literature data, almost 3-4 months enough to return the original state before cultivation of the soil hydraulic conductivity and bulk density values. This publication has been supported by AGRARKLIMA.2 VKSZ_12-1-2013-0034 project.

Physical Quality Indicators and Mechanical Behavior of Agricultural Soils of Argentina.

PubMed

Imhoff, Silvia; da Silva, Alvaro Pires; Ghiberto, Pablo J; Tormena, Cássio A; Pilatti, Miguel A; Libardi, Paulo L

2016-01-01

Mollisols of Santa Fe have different tilth and load support capacity. Despite the importance of these attributes to achieve a sustainable crop production, few information is available. The objectives of this study are i) to assess soil physical indicators related to plant growth and to soil mechanical behavior; and ii) to establish relationships to estimate the impact of soil loading on the soil quality to plant growth. The study was carried out on Argiudolls and Hapludolls of Santa Fe. Soil samples were collected to determine texture, organic matter content, bulk density, water retention curve, soil resistance to penetration, least limiting water range, critical bulk density for plant growth, compression index, pre-consolidation pressure and soil compressibility. Water retention curve and soil resistance to penetration were linearly and significantly related to clay and organic matter (R2 = 0.91 and R2 = 0.84). The pedotransfer functions of water retention curve and soil resistance to penetration allowed the estimation of the least limiting water range and critical bulk density for plant growth. A significant nonlinear relationship was found between critical bulk density for plant growth and clay content (R2 = 0.98). Compression index was significantly related to bulk density, water content, organic matter and clay plus silt content (R2 = 0.77). Pre-consolidation pressure was significantly related to organic matter, clay and water content (R2 = 0.77). Soil compressibility was significantly related to initial soil bulk density, clay and water content. A nonlinear and significantly pedotransfer function (R2 = 0.88) was developed to predict the maximum acceptable pressure to be applied during tillage operations by introducing critical bulk density for plant growth in the compression model. The developed pedotransfer function provides a useful tool to link the mechanical behavior and tilth of the soils studied.

Physical Quality Indicators and Mechanical Behavior of Agricultural Soils of Argentina

PubMed Central

Pires da Silva, Alvaro; Ghiberto, Pablo J.; Tormena, Cássio A.; Pilatti, Miguel A.; Libardi, Paulo L.

2016-01-01

Mollisols of Santa Fe have different tilth and load support capacity. Despite the importance of these attributes to achieve a sustainable crop production, few information is available. The objectives of this study are i) to assess soil physical indicators related to plant growth and to soil mechanical behavior; and ii) to establish relationships to estimate the impact of soil loading on the soil quality to plant growth. The study was carried out on Argiudolls and Hapludolls of Santa Fe. Soil samples were collected to determine texture, organic matter content, bulk density, water retention curve, soil resistance to penetration, least limiting water range, critical bulk density for plant growth, compression index, pre-consolidation pressure and soil compressibility. Water retention curve and soil resistance to penetration were linearly and significantly related to clay and organic matter (R2 = 0.91 and R2 = 0.84). The pedotransfer functions of water retention curve and soil resistance to penetration allowed the estimation of the least limiting water range and critical bulk density for plant growth. A significant nonlinear relationship was found between critical bulk density for plant growth and clay content (R2 = 0.98). Compression index was significantly related to bulk density, water content, organic matter and clay plus silt content (R2 = 0.77). Pre-consolidation pressure was significantly related to organic matter, clay and water content (R2 = 0.77). Soil compressibility was significantly related to initial soil bulk density, clay and water content. A nonlinear and significantly pedotransfer function (R2 = 0.88) was developed to predict the maximum acceptable pressure to be applied during tillage operations by introducing critical bulk density for plant growth in the compression model. The developed pedotransfer function provides a useful tool to link the mechanical behavior and tilth of the soils studied. PMID:27099925

Localization of the interband transitions in the bulk of the Brillouin zone of III–V compound crystals

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

Sobolev, V. V., E-mail: sobolev@uni.udm.ru; Perevoshchikov, D. A.

2016-05-15

The localization of the transitions in the bulk of the Brillouin zone that form the main structures in the spectra of the imaginary part of the permittivity in the range up to ~7 eV for III–V semiconductors (AlSb, GaSb, InSb, and InAs) is determined using electron density functional theory. It is established that intense transitions occur not only in the vicinity of the high-symmetry axes of the Brillouin zone, but also in some specific large volumes of the irreducible part of the Brillouin zone.

Laser ultrasonics for bulk-density distribution measurement on green ceramic tiles

NASA Astrophysics Data System (ADS)

Revel, G. M.; Cavuto, A.; Pandarese, G.

2016-10-01

In this paper a Laser Ultrasonics (LUT) system is developed and applied to measure bulk density distribution of green ceramic tiles, which are porous materials with low heat conductivity. Bulk density of green ceramic bodies is a fundamental parameter to be kept under control in the industrial production of ceramic tiles. The LUT system proposed is based on a Nd:YAG pulsed laser for excitation and an air-coupled electro-capacitive transducer for detection. The paper reports experimental apparent bulk-density measurements on white ceramic bodies after a calibration procedures. The performances observed are better than those previously achieved by authors using air-coupled ultrasonic probes for both emission and detection, allowing to reduce average uncertainty down to about ±6 kg/m3 (±0.3%), thanks to the increase in excitation efficiency and lateral resolution, while maintaining potential flexibility for on-line application. The laser ultrasonic procedure proposed is available for both on-line and off-line application. In this last case it is possible to obtain bulk density maps with high spatial resolution by a 2D scan without interrupting the production process.

Sorption Phase of Supercritical CO2 in Silica Aerogel: Experiments and Mesoscale Computer Simulations

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

Rother, Gernot; Vlcek, Lukas; Gruszkiewicz, Miroslaw

2014-01-01

Adsorption of supercritical CO2 in nanoporous silica aerogel was investigated by a combination of experiments and molecular-level computer modeling. High-pressure gravimetric and vibrating tube densimetry techniques were used to measure the mean pore fluid density and excess sorption at 35 C and 50 C and pressures of 0-200 bar. Densification of the pore fluid was observed at bulk fluid densities below 0.7 g/cm3. Far above the bulk fluid density, near-zero sorption or weak depletion effects were measured, while broad excess sorption maxima form in the vicinity of the bulk critical density region. The CO2 sorption properties are very similar formore » two aerogels with different bulk densities of 0.1 g/cm3 and 0.2 g/cm3, respectively. The spatial distribution of the confined supercritical fluid was analyzed in terms of sorption- and bulk-phase densities by means of the Adsorbed Phase Model (APM), which used data from gravimetric sorption and small-angle neutron scattering experiments. To gain more detailed insight into supercritical fluid sorption, large-scale lattice gas GCMC simulations were utilized and tuned to resemble the experimental excess sorption data. The computed three-dimensional pore fluid density distributions show that the observed maximum of the excess sorption near the critical density originates from large density fluctuations pinned to the pore walls. At this maximum, the size of these fluctuations is comparable to the prevailing pore sizes.« less

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

Tumuluru, Jaya Shankar

In the present study a Box–Behnken experimental design was used to understand the effect of the moisture content of lodgepole pine grind (33–39%, w.b.), die speed (40–60 Hz) and preheating temperature (30–90 °C) on the pellet quality and specific energy consumption. The partially dried pellets produced had high-moisture content in the range of 19–28% (w.b.), and were further dried to <9% (w.b.) in a mechanical oven set at 70 °C for 3 h. Dried pellets were further evaluated for pellet moisture content, unit, bulk, tapped density, and durability. Response surface models developed for the product properties have adequately described themore » process based on coefficient of determination values. Surface plots developed indicated higher unit, bulk, and tapped density (1050, 520, 560 kg/m 3) are achievable at 33–35% (w.b.) moisture content of the lodgepole pine grind, die speed of 60 Hz and preheating temperature of 30–60 °C. Higher moisture content of 39% (w.b) reduced unit, bulk, and tapped density to <912, 396, and 452 kg/m 3. Higher durability values of >95% were obtained at 33–35% (w.b.) at lower preheating temperatures of 30–50 °C and higher die speed of >50 Hz. At 33% (w.b.) moisture content of the lodgepole pine grind, preheating temperature of 90 °C, and die speed of 60 Hz, the observed specific energy consumption was <116 kW h/ton. As a result, scanning electron microscope studies indicated that lignin crosslinking is the primary reason for binding of the lodgepole pine grind at high-moisture content.« less

Estimating canopy bulk density and canopy base height for conifer stands in the interior Western United States using the Forest Vegetation Simulator Fire and Fuels Extension.

Treesearch

Seth Ex; Frederick Smith; Tara Keyser; Stephanie Rebain

2017-01-01

The Forest Vegetation Simulator Fire and Fuels Extension (FFE-FVS) is often used to estimate canopy bulk density (CBD) and canopy base height (CBH), which are key indicators of crown fire hazard for conifer stands in the Western United States. Estimated CBD from FFE-FVS is calculated as the maximum 4 m running mean bulk density of predefined 0.3 m thick canopy layers (...

Volumes and bulk densities of forty asteroids from ADAM shape modeling

NASA Astrophysics Data System (ADS)

Hanuš, J.; Viikinkoski, M.; Marchis, F.; Ďurech, J.; Kaasalainen, M.; Delbo', M.; Herald, D.; Frappa, E.; Hayamizu, T.; Kerr, S.; Preston, S.; Timerson, B.; Dunham, D.; Talbot, J.

2017-05-01

Context. Disk-integrated photometric data of asteroids do not contain accurate information on shape details or size scale. Additional data such as disk-resolved images or stellar occultation measurements further constrain asteroid shapes and allow size estimates. Aims: We aim to use all the available disk-resolved images of approximately forty asteroids obtained by the Near-InfraRed Camera (Nirc2) mounted on the W.M. Keck II telescope together with the disk-integrated photometry and stellar occultation measurements to determine their volumes. We can then use the volume, in combination with the known mass, to derive the bulk density. Methods: We downloaded and processed all the asteroid disk-resolved images obtained by the Nirc2 that are available in the Keck Observatory Archive (KOA). We combined optical disk-integrated data and stellar occultation profiles with the disk-resolved images and use the All-Data Asteroid Modeling (ADAM) algorithm for the shape and size modeling. Our approach provides constraints on the expected uncertainty in the volume and size as well. Results: We present shape models and volume for 41 asteroids. For 35 of these asteroids, the knowledge of their mass estimates from the literature allowed us to derive their bulk densities. We see a clear trend of lower bulk densities for primitive objects (C-complex) and higher bulk densities for S-complex asteroids. The range of densities in the X-complex is large, suggesting various compositions. We also identified a few objects with rather peculiar bulk densities, which is likely a hint of their poor mass estimates. Asteroid masses determined from the Gaia astrometric observations should further refine most of the density estimates.

46 CFR 151.03-21 - Filling density.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 5 2010-10-01 2010-10-01 false Filling density. 151.03-21 Section 151.03-21 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Definitions § 151.03-21 Filling density. The ratio, expressed as...

46 CFR 151.03-21 - Filling density.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 5 2014-10-01 2014-10-01 false Filling density. 151.03-21 Section 151.03-21 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Definitions § 151.03-21 Filling density. The ratio, expressed as...

46 CFR 151.03-21 - Filling density.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 5 2012-10-01 2012-10-01 false Filling density. 151.03-21 Section 151.03-21 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Definitions § 151.03-21 Filling density. The ratio, expressed as...

46 CFR 151.03-21 - Filling density.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 5 2013-10-01 2013-10-01 false Filling density. 151.03-21 Section 151.03-21 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Definitions § 151.03-21 Filling density. The ratio, expressed as...

46 CFR 151.03-21 - Filling density.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 5 2011-10-01 2011-10-01 false Filling density. 151.03-21 Section 151.03-21 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Definitions § 151.03-21 Filling density. The ratio, expressed as...

Gas storage using fullerene based adsorbents

NASA Technical Reports Server (NTRS)

Mikhael, Michael G. (Inventor); Loutfy, Raouf O. (Inventor); Lu, Xiao-Chun (Inventor); Li, Weijiong (Inventor)

2000-01-01

This invention is directed to the synthesis of high bulk density high gas absorption capacity adsorbents for gas storage applications. Specifically, this invention is concerned with novel gas absorbents with high gravimetric and volumetric gas adsorption capacities which are made from fullerene-based materials. By pressing fullerene powder into pellet form using a conventional press, then polymerizing it by subjecting the fullerene to high temperature and high inert gas pressure, the resulting fullerene-based materials have high bulk densities and high gas adsorption capacities. By pre-chemical modification or post-polymerization activation processes, the gas adsorption capacities of the fullerene-based adsorbents can be further enhanced. These materials are suitable for low pressure gas storage applications, such as oxygen storage for home oxygen therapy uses or on-board vehicle natural gas storage. They are also suitable for storing gases and vapors such as hydrogen, nitrogen, carbon dioxide, and water vapor.

Fluid property measurements study

NASA Technical Reports Server (NTRS)

Devaney, W. E.

1976-01-01

Fluid properties of refrigerant-21 were investigated at temperatures from the freezing point to 423 Kelvin and at pressures to 1.38 x 10 to the 8th power N/sq m (20,000 psia). The fluid properties included were: density, vapor pressure, viscosity, specific heat, thermal conductivity, thermal expansion coefficient, freezing point and bulk modulus. Tables of smooth values are reported.

Method of operating an oil shale kiln

DOEpatents

Reeves, Adam A.

1978-05-23

Continuously determining the bulk density of raw and retorted oil shale, the specific gravity of the raw oil shale and the richness of the raw oil shale provides accurate means to control process variables of the retorting of oil shale, predicting oil production, determining mining strategy, and aids in controlling shale placement in the kiln for the retorting.

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

Tumuluru, Jaya Shankar

The quality and specific energy consumption (SEC) of the biomass pellets produced depend upon pelleting process conditions. The present study includes understanding the effect of feedstock moisture in the range of 28–38% (wet basis [w.b.]) and preheating in the range of 30–110°C at two die speeds of 40 and 60 Hz on the physical properties and SEC. A flat die pellet mill fitted with a 6 mm die was used in the present study. The physical properties of pellets such as moisture content, unit, bulk and tapped density, durability, and expansion ratio and SEC of the pelleting process are measured.more » The results indicate that the pellets produced have durability values in the range of 87–98%, and unit bulk and tapped density in the range of 670–1100, 375–575, and 420–620 kg/m³. Increasing the feedstock moisture content from 33% to 38% (w.b) decreased the unit, bulk and tapped density by about 30–40%. Increasing feedstock moisture content increased the expansion ratio and decreased the density values. A higher feedstock moisture content of 38% (w.b.) and higher preheating temperature of 110°C resulted in lower density and a higher expansion ratio, which can be attributed to flash off of moisture as the material extrudes out of the die. The SEC was in the range of 75–275 kWh/ton. Higher feedstock moisture content of 38% (w.b.) and a lower die speed of 40 Hz increased the SEC, whereas lower to medium preheating temperature (30–70°C), medium feedstock moisture content of 33% (w.b.), and a higher die speed of 60 Hz minimized the SEC to <100 kWh/ton.« less

Mean-field density functional theory of a nanoconfined classical, three-dimensional Heisenberg fluid. I. The role of molecular anchoring

NASA Astrophysics Data System (ADS)

Cattes, Stefanie M.; Gubbins, Keith E.; Schoen, Martin

2016-05-01

In this work, we employ classical density functional theory (DFT) to investigate for the first time equilibrium properties of a Heisenberg fluid confined to nanoscopic slit pores of variable width. Within DFT pair correlations are treated at modified mean-field level. We consider three types of walls: hard ones, where the fluid-wall potential becomes infinite upon molecular contact but vanishes otherwise, and hard walls with superimposed short-range attraction with and without explicit orientation dependence. To model the distance dependence of the attractions, we employ a Yukawa potential. The orientation dependence is realized through anchoring of molecules at the substrates, i.e., an energetic discrimination of specific molecular orientations. If the walls are hard or attractive without specific anchoring, the results are "quasi-bulk"-like in that they can be linked to a confinement-induced reduction of the bulk mean field. In these cases, the precise nature of the walls is completely irrelevant at coexistence. Only for specific anchoring nontrivial features arise, because then the fluid-wall interaction potential affects the orientation distribution function in a nontrivial way and thus appears explicitly in the Euler-Lagrange equations to be solved for minima of the grand potential of coexisting phases.

A Permeable Active Amendment Concrete (PAAC) for Contaminant Remediation and Erosion Control

DTIC Science & Technology

2012-06-01

124: 131 -143. SRNL-STI-2012-00356 70 Tessier, A., Campbell, P.G.C., and Bisson, M. 1979. Sequential extraction procedure for the speciation of...Bulk Density, Dry, (AI( C-D)]* p, pcf 134.85 Bulk Dens ity after Immersion, [BI(C-D)]* p, pcf 146.65 Bulk Density after Immersion & Boiling1 jCI (C

The impact of compaction, moisture content, particle size and type of bulking agent on initial physical properties of sludge-bulking agent mixtures before composting.

PubMed

Huet, J; Druilhe, C; Trémier, A; Benoist, J C; Debenest, G

2012-06-01

This study aimed to experimentally acquire evolution profiles between depth, bulk density, Free Air Space (FAS), air permeability and thermal conductivity in initial composting materials. The impact of two different moisture content, two particle size and two types of bulking agent on these four parameters was also evaluated. Bulk density and thermal conductivity both increased with depth while FAS and air permeability both decreased with it. Moreover, depth and moisture content had a significant impact on almost all the four physical parameters contrary to particle size and the type of bulking agent. Copyright © 2012 Elsevier Ltd. All rights reserved.

Three-dimensional carbon nanotubes for high capacity lithium-ion batteries

NASA Astrophysics Data System (ADS)

Kang, Chiwon; Patel, Mumukshu; Rangasamy, Baskaran; Jung, Kyu-Nam; Xia, Changlei; Shi, Sheldon; Choi, Wonbong

2015-12-01

Carbon nanotubes (CNTs) have been considered as a potential anode material for next generation Lithium-ion batteries (LIBs) due to their high conductivity, flexibility, surface area, and lithium-ion insertion ability. However, the low mass loading and bulk density of carbon nanomaterials hinder their use in large-scale energy storage because their high specific capacity may not scale up linearly with the thickness of the electrode. To address this issue, a novel three-dimensional (3D) architecture is rationally designed by stacking layers of free-standing CNTs with the increased areal density to 34.9 mg cm-2, which is around three-times higher than that of the state-of-the-art graphitic anodes. Furthermore, a thermal compression process renders the bulk density of the multi-stacked 3D CNTs to be increased by 1.85 g cm-3, which yields an excellent volumetric capacity of 465 mAh cm-3 at 0.5C. Our proposed strategy involving the stacking of 3D CNT based layers and post-thermal compression provides a powerful platform for the utilization of carbon nanomaterials in the advanced LIB technology.

Bulk densities of materials from selected pine-site hardwoods

Treesearch

Clyde Vidrine; George E. Woodson

1982-01-01

Bulk densities of hardwood materials from low and high density species were determined for green and air-dry conditions. Materials consisted of whole-tree chips, bark-free chips, bark as collected from three types of debarkers (ring, rosser head, and drum debarkers) sawdust, planer shavings, flakes, logging residues, baled branchwood, steel-strapped firewood, and...

Soil water retention of a bare soil with changing bulk densities

USDA-ARS?s Scientific Manuscript database

Tillage changes the bulk density of the soil, lowering the density initially after which it increases as the soil settles. Implications of this for soil water content and soil water potential are obvious, but limited efforts have been made to monitor these changes continuously. We present in-situ me...

Spray-dried chitosan as a direct compression tableting excipient.

PubMed

Chinta, Dakshinamurthy Devanga; Graves, Richard A; Pamujula, Sarala; Praetorius, Natalie; Bostanian, Levon A; Mandal, Tarun K

2009-01-01

The objective of this study was to prepare and evaluate a novel spray-dried tableting excipient using a mixture of chitosan and lactose. Three different grades of chitosan (low-, medium-, and high-molecular-weight) were used for this study. Propranolol hydrochloride was used as a model drug. A specific amount of chitosan (1, 1.9, and 2.5 g, respectively) was dissolved in 50 mL of an aqueous solution of citric acid (1%) and later mixed with 50 mL of an aqueous solution containing lactose (20, 19.1, and 18.5 g, respectively) and propanolol (2.2 g). The resultant solution was sprayed through a laboratory spray drier at 1.4 mL/min. The granules were evaluated for bulk density, tap density, Carr index, particle size distribution, surface morphology, thermal properties, and tableting properties. Bulk density of the granules decreased from 0.16 to 0.13 g/mL when the granules were prepared using medium- or high-molecular-weight chitosan compared with the low-molecular-weight chitosan. The relative proportion of chitosan also showed a significant effect on the bulk density. The granules prepared with 1 g of low-molecular-weight chitosan showed the minimum Carr index (11.1%) indicating the best flow properties among all five formulations. All three granules prepared with 1 g chitosan, irrespective of their molecular weight, showed excellent flow properties. Floating tablets prepared by direct compression of these granules with sodium bicarbonate showed 50% drug release between 30 and 35 min. In conclusion, the spray-dried granules prepared with chitosan and lactose showed excellent flow properties and were suitable for tableting.

Method to produce durable pellets at lower energy consumption using high moisture corn stover and a corn starch binder in a flat die pellet mill

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

Tumuluru, Jaya Shankar; Conner, Craig C.; Hoover, Amber N.

Biomass from plants can serve as an alternative renewable energy resources for energy production. Low densities of 40–60 kg/m3 for ground lignocellulosic biomass like corn stover limit its operation for energy purposes. The common drawbacks are inefficient transportation, a bigger storage foot print, and handling problems. Densification of biomass using pellet mill helps to overcome these limitations. This study helps to understand the effect of binder on high moisture biomass with a focus on the quality (density and durability), the pelleting efficiency and the specific energy consumption of its pelleting process. Raw corn stover was pelleted at high moisture ofmore » 33% (w.b.) at both varying preheating temperatures and binder percentage. The die speed of the pellet mill was set at 60Hz. The pellets produced were analyzed and showed higher moisture content. They were further dried in a laboratory oven at 70°C for 3-4 hr bringing the pellet moisture to <9%. The dried pellets were evaluated for their physical properties like unit, bulk and tapped density, and durability. Furthermore, the results indicated increasing the binder percentage to 4% improved the physical properties of the pellets and reduced the specific energy consumption. Higher binder addition of 4% reduced the feedstock moisture loss during pelleting to <4%, which can be due reduced residence time of the material in the die. On the other hand the physical properties like density and durability improved significantly with binder addition. At 4% binder and 33% feedstock moisture content, the bulk density and durability values observed were >510 kg/m3 and >98% and the percent fines generation has reduced to <3%. Also at these conditions the specific energy consumption was reduced by about 30-40% compared no binder pelleting test.« less

Method to produce durable pellets at lower energy consumption using high moisture corn stover and a corn starch binder in a flat die pellet mill

DOE PAGES

Tumuluru, Jaya Shankar; Conner, Craig C.; Hoover, Amber N.

2016-06-15

Biomass from plants can serve as an alternative renewable energy resources for energy production. Low densities of 40–60 kg/m3 for ground lignocellulosic biomass like corn stover limit its operation for energy purposes. The common drawbacks are inefficient transportation, a bigger storage foot print, and handling problems. Densification of biomass using pellet mill helps to overcome these limitations. This study helps to understand the effect of binder on high moisture biomass with a focus on the quality (density and durability), the pelleting efficiency and the specific energy consumption of its pelleting process. Raw corn stover was pelleted at high moisture ofmore » 33% (w.b.) at both varying preheating temperatures and binder percentage. The die speed of the pellet mill was set at 60Hz. The pellets produced were analyzed and showed higher moisture content. They were further dried in a laboratory oven at 70°C for 3-4 hr bringing the pellet moisture to <9%. The dried pellets were evaluated for their physical properties like unit, bulk and tapped density, and durability. Furthermore, the results indicated increasing the binder percentage to 4% improved the physical properties of the pellets and reduced the specific energy consumption. Higher binder addition of 4% reduced the feedstock moisture loss during pelleting to <4%, which can be due reduced residence time of the material in the die. On the other hand the physical properties like density and durability improved significantly with binder addition. At 4% binder and 33% feedstock moisture content, the bulk density and durability values observed were >510 kg/m3 and >98% and the percent fines generation has reduced to <3%. Also at these conditions the specific energy consumption was reduced by about 30-40% compared no binder pelleting test.« less

Effect of soil properties on Hydraulic characteristics under subsurface drip irrigation

NASA Astrophysics Data System (ADS)

Fan, Wangtao; Li, Gang

2018-02-01

Subsurface drip irrigation (SDI) is a technique that has a high potential in application because of its high efficiency in water-saving. The hydraulic characteristics of SDI sub-unit pipe network can be affected by soil physical properties as the emitters are buried in soils. The related research, however, is not fully explored. The laboratory tests were carried out in the present study to determine the effects of hydraulic factors including operating pressure, initial soil water content, and bulk density on flow rate and its sensitivity to each hydraulic factor for two types of SDI emitters (PLASSIM emitter and Heping emitter). For this purpose, three soils with contrasting textures (i.e., light sand, silt loam, and light clay) were repacked with two soil bulk density (1.25 and1.40 g cm-3) with two initial soil water content (12% and 18%) in plexiglass columns with 40 cm in diameter and 40 cm in height. Drip emitters were buried at depth of 20 cm to measure the flow rates under seven operating pressures (60, 100, 150, 200, 250, 300, and 370 kPa). We found that the operating pressure was the dominating factor of flow rate of the SDI emitter, and flow rate increased with the increase of operating pressure. The initial soil water content and bulk density also affected the flow rate, and their effects were the most notable in the light sand soil. The sensitivity of flow rate to each hydraulic factor was dependent on soil texture, and followed a descending order of light sand>silt loam>light clay for both types of emitters. Further, the sensitivity of flow rate to each hydraulic factor decreased with the increase of operating pressure, initial soil water content, and bulk density. This study may be used to guide the soil specific-design of SDI emitters for optimal water use and management.

Revised Thickness of the Lunar Crust from GRAIL Data: Implications for Lunar Bulk Composition

NASA Technical Reports Server (NTRS)

Taylor, G. Jeffrey; Wieczorek, Mark A.; Neumann, Gregory A.; Nimmo, Francis; Kiefer, Walter S.; Melosh, H. Jay; Phillips, Roger J.; Solomon, Sean C.; Andrews-Hanna, Jeffrey C.; Asmar, Sami W.;

Calculated in situ rock density from gravity observations, UA-1 (Cannikin) emplacement hole, Amchitka Island, Alaska

USGS Publications Warehouse

Healey, D.L.

1971-01-01

Gravity observations were made on the ground surface and at a depth of 5,854 feet in drill hole UA-1. Two attempts to measure the free-air gradient utilizing the headframe over the drill hole were unsuccessful owing to mechanical vibrations in the structure. Because of the uncertainty in the measured free-air gradients these values were discarded and the average value (0.09406 mgal/ft) was used in the calculations. The calculated in situ bulk density is 2.36 g/cc. The weighted average bulk density determined from 47 core samples taken in the adjacent UAE-1 drill hole is also 2.36 g/cc. An analysis of selected portions of density logs provides an in situ bulk density of 2.37 g/cc.

High/variable mixture ratio O2/H2 engine

NASA Technical Reports Server (NTRS)

Adams, A.; Parsley, R. C.

1988-01-01

Vehicle/engine analysis studies have identified the High/Dual Mixture Ratio O2/H2 Engine cycle as a leading candidate for an advanced Single Stage to Orbit (SSTO) propulsion system. This cycle is designed to allow operation at a higher than normal O/F ratio of 12 during liftoff and then transition to a more optimum O/F ratio of 6 at altitude. While operation at high mixture ratios lowers specific impulse, the resultant high propellant bulk density and high power density combine to minimize the influence of atmospheric drag and low altitude gravitational forces. Transition to a lower mixture ratio at altitude then provides improved specific impulse relative to a single mixture ratio engine that must select a mixture ratio that is balanced for both low and high altitude operation. This combination of increased altitude specific impulse and high propellant bulk density more than offsets the compromised low altitude performance and results in an overall mission benefit. Two areas of technical concern relative to the execution of this dual mixture ratio cycle concept are addressed. First, actions required to transition from high to low mixture ratio are examined, including an assessment of the main chamber environment as the main chamber mixture ratio passes through stoichiometric. Secondly, two approaches to meet a requirement for high turbine power at high mixture ratio condition are examined. One approach uses high turbine temperature to produce the power and requires cooled turbines. The other approach incorporates an oxidizer-rich preburner to increase turbine work capability via increased turbine mass flow.

75 FR 40843 - International Conference on Harmonisation; Draft Guidance on Q4B Evaluation and Recommendation of...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-07-14

... Texts for Use in the International Conference on Harmonisation Regions; Annex 13 on Bulk Density and... guidance entitled ``Q4B Evaluation and Recommendation of Pharmacopoeial Texts for Use in the ICH Regions... evaluation of the Bulk Density and Tapped Density of Powders General Chapter harmonized text from each of the...

Ab-initio Density Functional Theory (DFT) Studies of Electronic, Transport, and Bulk Properties of Sodium Oxide (Na2O)

NASA Astrophysics Data System (ADS)

Polin, Daniel; Ziegler, Joshua; Malozovsky, Yuriy; Bagayoko, Diola

We present the findings of ab-initio calculations of electronic, transport, and structural properties of cubic sodium oxide (Na2O). These results were obtained using density functional theory (DFT), specifically a local density approximation (LDA) potential, and the linear combination of Gaussian orbitals (LCGO). Our implementation of LCGO followed the Bagayoko, Zhao, and Williams method as enhanced by the work of Ekuma and Franklin (BZW-EF). We describe the electronic band structure of Na2O with a direct band gap of 2.22 eV. Our results include predicted values for the electronic band structure and associated energy eigenvalues, the total and partial density of states (DOS and pDOS), the equilibrium lattice constant of Na2O, and the bulk modulus. We have also calculated the electron and holes effective masses in the Γ to L, Γ to X, and Γ to K directions. Acknowledgments: This work was funded in part by the National Science Foundation (NSF) and the Louisiana Board of Regents, through LASiGMA [Award Nos. EPS- 1003897, NSF (2010-15)-RII-SUBR] and NSF HRD-1002541, the US Department of Energy - National, Nuclear Security Administration (NNSA) (Award No. DE- NA0002630), LaSPACE, and LONI-SUBR.

An International Round-Robin Study, Part II: Thermal Diffusivity, Specific Heat and Thermal Conductivity

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

Wang, Hsin; Porter, Wallace D; Bottner, Harold

2013-01-01

For bulk thermoelectrics, figure-of-merit, ZT, still needs to improve from the current value of 1.0 - 1.5 to above 2 to be competitive to other alternative technologies. In recent years, the most significant improvements in ZT were mainly due to successful reduction of thermal conductivity. However, thermal conductivity cannot be measured directly at high temperatures. The combined measurements of thermal diffusivity and specific heat and density are required. It has been shown that thermal conductivity is the property with the greatest uncertainty and has a direct influence on the accuracy of the figure of merit. The International Energy Agency (IEA)more » group under the implementing agreement for Advanced Materials for Transportation (AMT) has conducted two international round-robins since 2009. This paper is Part II of the international round-robin testing of transport properties of bulk bismuth telluride. The main focuses in Part II are on thermal diffusivity, specific heat and thermal conductivity.« less

Bovine herpesvirus 1: within-herd seroprevalence and antibody levels in bulk-tank milk.

PubMed

Martínez, S; Yus, E; Sanjuán, M L; Camino, F; Eiras, M C; Arnaiz, I; Diéguez, F J

2016-12-01

The aim of the present study was to establish a relationship between the results obtained with the enzyme-linked immunosorbent assay (ELISA) technique for antibodies (against bovine herpesvirus 1) in serum and those in milk at the herd level. For this purpose, 275 samples of bulk-tank milk were analysed with glycoprotein E (gE) antibody ELISA and 207 more were analysed with glycoprotein B (gB) antibody ELISA (482 in total). All of these samples came from dairy herds whose seroprevalence was also evaluated. The results of this study were then used to analyse the sensitivity of the bulk-tankmilk test in detecting herds with a high risk of active infection (>60% seroprevalence) and its specificity in detecting those with few (<20%) or no seropositive animals. In regard to the reference test (results in blood serum), the sensitivity of the bulk-tankmilk test in detecting herds with >60% seropositive animals was 100% for both gE and gB ELISAs. The specificity figures, for gE and gB ELISAs, respectively, were 88.4% and 99.1% for infection-free herds and 72.6% and 96% for herds with <20% seroprevalence. In a quantitative approach, Pearson's correlation coefficients, reported as a measure of linear association between herd seroprevalences and transformed optical density values recorded in bulk-tank milk, were -0.63 for gE ELISA and 0.67 for gB ELISA. © OIE (World Organisation for Animal Health), 2016.

Intrinsic qualities of primate bones as predictors of skeletal element representation in modern and fossil carnivore feeding assemblages.

PubMed

Carlson, Kristian J; Pickering, Travis Rayne

2003-04-01

Plio-Pleistocene faunal assemblages from Swartkrans Cave (South Africa) preserve large numbers of primate remains. Brain, C.K., 1981. The Hunters or the Hunted? An Introduction to African Cave Taphonomy. University of Chicago Press, Chicago suggested that these primate subassemblages might have resulted from a focus by carnivores on primate predation and bone accumulation. Brain's hypothesis prompted us to investigate, in a previous study, this taphonomic issue as it relates to density-mediated destruction of primate bones (J. Archaeol. Sci. 29, 2002, 883). Here we extend our investigation of Brain's hypothesis by examining additional intrinsic qualities of baboon bones and their role as mediators of skeletal element representation in carnivore-created assemblages. Using three modern adult baboon skeletons, we collected data on four intrinsic bone qualities (bulk bone mineral density, maximum length, volume, and cross-sectional area) for approximately 81 bones per baboon skeleton. We investigated the relationship between these intrinsic bone qualities and a measure of skeletal part representation (the percentage minimum animal unit) for baboon bones in carnivore refuse and scat assemblages. Refuse assemblages consist of baboon bones not ingested during ten separate experimental feeding episodes in which individual baboon carcasses were fed to individual captive leopards and a spotted hyena. Scat assemblages consist of those baboon bones recovered in carnivore regurgitations and feces resulting from the feeding episodes. In refuse assemblages, volume (i.e., size) was consistently the best predictor of element representation, while cross-sectional area was the poorest predictor in the leopard refuse assemblage and bulk bone mineral density (i.e., a measure of the proportion of cortical to trabecular bone) was the poorest predictor in the hyena refuse assemblage. In light of previous documentation of carnivore-induced density-mediated destruction to bone assemblages, we interpret the current findings as suggestive of the secondary importance of bulk bone mineral density to other intrinsic qualities of skeletal elements (e.g., size, maximum dimension, and average cross-sectional area). It is only when skeletal elements are too large for consumption (e.g., many long bones) that they are fragmented following intra-element patterns of density-mediated carnivore destruction. There appears to be a size threshold beneath which bulk bone mineral density contributes little to mediating carnivore destruction of carcasses. Thus, depending on body size of the predator, body size of the prey, and specific size of the element, bulk bone mineral density may play little or no role of primary importance in mediating the destruction of skeletal elements. We compare patterns in modern comparative assemblages to patterns in primate fossil assemblages from Swartkrans. One of the fossil assemblages, Swartkrans Member 1, Hanging Remnant, most closely approximates a hyena (possibly refuse) assemblage pattern, while the Swartkrans Member 2 assemblage most closely approximates a leopard (possibly scat) assemblage pattern. The Swartkrans Member 1, Lower Bank, assemblage does not closely approximate any of our modern comparative assemblage patterns.

Effect of the conditions of sintering of sodium-reduced tantalum powders on their characteristics

NASA Astrophysics Data System (ADS)

Prokhorova, T. Yu.; Orlov, V. M.; Miroshnichenko, M. N.; Kolosov, V. N.

2014-07-01

The effect of the granulation and heat treatment of sodium-reduced tantalum powders with a specific surface area of 2.5-3.6 m2/g on the bulk density, the powder flow time, and the specific surface area of the powders and the specific capacitance of the anodes made of them is studied. It is shown that heat treatment of a granulated powder in vacuum at 1100°C or in a mixture with magnesium at 800°C makes it possible to achieve the required powder flow time.

Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects

DOE PAGES

Yuk, Simuck F.; Pitike, Krishna Chaitanya; Nakhmanson, Serge M.; ...

2017-03-03

Using the van der Waals density functional with C09 exchange (vdW-DF-C09), which has been applied to describing a wide range of dispersion-bound systems, we explore the physical properties of prototypical ABO 3 bulk ferroelectric oxides. Surprisingly, vdW-DF-C09 provides a superior description of experimental values for lattice constants, polarization and bulk moduli, exhibiting similar accuracy to the modified Perdew-Burke-Erzenhoff functional which was designed specifically for bulk solids (PBEsol). The relative performance of vdW-DF-C09 is strongly linked to the form of the exchange enhancement factor which, like PBEsol, tends to behave like the gradient expansion approximation for small reduced gradients. These resultsmore » suggest the general-purpose nature of the class of vdW-DF functionals, with particular consequences for predicting material functionality across dense and sparse matter regimes.« less

Ions, metabolites, and cells: Water as a reporter of surface conditions during bacterial growth.

PubMed

Jarisz, Tasha A; Lane, Sarah; Gozdzialski, Lea; Hore, Dennis K

2018-06-14

Surface-specific nonlinear vibrational spectroscopy, combined with bulk solution measurements and imaging, is used to study the surface conditions during the growth of E. coli. As a result of the silica high surface charge density, the water structure at the silica-aqueous interface is known to be especially sensitive to pH and ionic strength, and surface concentration profiles develop that can be appreciably different from the bulk solution conditions. We illustrate that, in the presence of growing cells, a unique surface micro-environment is established as a result of metabolites accumulating on the silica surface. Even in the subsequent absence of the cells, this surface layer works to reduce the interfacial ionic strength as revealed by the enhanced signal from surface water molecules. In the presence of growing cells, an additional boost in surface water signal is attributed to a local pH that is higher than that of the bulk solution.

Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects

PubMed Central

Yuk, Simuck F.; Pitike, Krishna Chaitanya; Nakhmanson, Serge M.; Eisenbach, Markus; Li, Ying Wai; Cooper, Valentino R.

2017-01-01

Using the van der Waals density functional with C09 exchange (vdW-DF-C09), which has been applied to describing a wide range of dispersion-bound systems, we explore the physical properties of prototypical ABO3 bulk ferroelectric oxides. Surprisingly, vdW-DF-C09 provides a superior description of experimental values for lattice constants, polarization and bulk moduli, exhibiting similar accuracy to the modified Perdew-Burke-Erzenhoff functional which was designed specifically for bulk solids (PBEsol). The relative performance of vdW-DF-C09 is strongly linked to the form of the exchange enhancement factor which, like PBEsol, tends to behave like the gradient expansion approximation for small reduced gradients. These results suggest the general-purpose nature of the class of vdW-DF functionals, with particular consequences for predicting material functionality across dense and sparse matter regimes. PMID:28256544

Ions, metabolites, and cells: Water as a reporter of surface conditions during bacterial growth

NASA Astrophysics Data System (ADS)

Jarisz, Tasha A.; Lane, Sarah; Gozdzialski, Lea; Hore, Dennis K.

2018-06-01

Surface-specific nonlinear vibrational spectroscopy, combined with bulk solution measurements and imaging, is used to study the surface conditions during the growth of E. coli. As a result of the silica high surface charge density, the water structure at the silica-aqueous interface is known to be especially sensitive to pH and ionic strength, and surface concentration profiles develop that can be appreciably different from the bulk solution conditions. We illustrate that, in the presence of growing cells, a unique surface micro-environment is established as a result of metabolites accumulating on the silica surface. Even in the subsequent absence of the cells, this surface layer works to reduce the interfacial ionic strength as revealed by the enhanced signal from surface water molecules. In the presence of growing cells, an additional boost in surface water signal is attributed to a local pH that is higher than that of the bulk solution.

On soil textural classifications and soil-texture-based estimations

NASA Astrophysics Data System (ADS)

Ángel Martín, Miguel; Pachepsky, Yakov A.; García-Gutiérrez, Carlos; Reyes, Miguel

2018-02-01

The soil texture representation with the standard textural fraction triplet sand-silt-clay is commonly used to estimate soil properties. The objective of this work was to test the hypothesis that other fraction sizes in the triplets may provide a better representation of soil texture for estimating some soil parameters. We estimated the cumulative particle size distribution and bulk density from an entropy-based representation of the textural triplet with experimental data for 6240 soil samples. The results supported the hypothesis. For example, simulated distributions were not significantly different from the original ones in 25 and 85 % of cases when the sand-silt-clay and very coarse+coarse + medium sand - fine + very fine sand - silt+clay were used, respectively. When the same standard and modified triplets were used to estimate the average bulk density, the coefficients of determination were 0.001 and 0.967, respectively. Overall, the textural triplet selection appears to be application and data specific.

Multiple charge density wave states at the surface of TbT e 3

DOE PAGES

Fu, Ling; Kraft, Aaron M.; Sharma, Bishnu; ...

2016-11-01

We studied TbTe 3 using scanning tunneling microscopy (STM) in the temperature range of 298–355 K. Our measurements detect a unidirectional charge density wave (CDW) state in the surface Te layer with a wave vector consistent with that of the bulk q CDW = 0.30 ± 0.01c*. However, unlike previous STM measurements, and differing from measurements probing the bulk, we detect two perpendicular orientations for the unidirectional CDW with no directional preference for the in-plane crystal axes (a or c axis) and no noticeable difference in wave vector magnitude. In addition, we find regions in which the bidirectional CDW statesmore » coexist. We propose that observation of two unidirectional CDW states indicates a decoupling of the surface Te layer from the rare-earth block layer below, and that strain variations in the Te surface layer drive the local CDW direction to the specific unidirectional or, in rare occurrences, bidirectional CDW orders observed. This indicates that similar driving mechanisms for CDW formation in the bulk, where anisotropic lattice strain energy is important, are at play at the surface. Furthermore, the wave vectors for the bidirectional order we observe differ from those theoretically predicted for checkerboard order competing with stripe order in a Fermi-surface nesting scenario, suggesting that factors beyond Fermi-surface nesting drive CDW order in TbTe 3. As a result, our temperature-dependent measurements provide evidence for localized CDW formation above the bulk transition temperature T CDW.« less

A two-population sporadic meteoroid bulk density distribution and its implications for environment models

NASA Astrophysics Data System (ADS)

Moorhead, Althea V.; Blaauw, Rhiannon C.; Moser, Danielle E.; Campbell-Brown, Margaret D.; Brown, Peter G.; Cooke, William J.

2017-12-01

The bulk density of a meteoroid affects its dynamics in space, its ablation in the atmosphere, and the damage it does to spacecraft and lunar or planetary surfaces. Meteoroid bulk densities are also notoriously difficult to measure, and we are typically forced to assume a density or attempt to measure it via a proxy. In this paper, we construct a density distribution for sporadic meteoroids based on existing density measurements. We considered two possible proxies for density: the KB parameter introduced by Ceplecha and Tisserand parameter, TJ. Although KB is frequently cited as a proxy for meteoroid material properties, we find that it is poorly correlated with ablation-model-derived densities. We therefore follow the example of Kikwaya et al. in associating density with the Tisserand parameter. We fit two density distributions to meteoroids originating from Halley-type comets (TJ < 2) and those originating from all other parent bodies (TJ > 2); the resulting two-population density distribution is the most detailed sporadic meteoroid density distribution justified by the available data. Finally, we discuss the implications for meteoroid environment models and spacecraft risk assessments. We find that correcting for density increases the fraction of meteoroid-induced spacecraft damage produced by the helion/antihelion source.

Thermal transport properties of bulk and monolayer MoS2: an ab-initio approach

NASA Astrophysics Data System (ADS)

Bano, Amreen; Khare, Preeti; Gaur, N. K.

2017-05-01

The transport properties of semiconductors are key to the performance of many solid-state devices (transistors, data storage, thermoelectric cooling and power generation devices, etc). In recent years simulation tools based on first-principles calculations have been greatly improved, being able to obtain the fundamental ground-state properties of materials accurately. The quasi harmonic thermal properties of bulk and monolayer of MoS2 has been computed with ab initio periodic simulations based of density functional theory (DFT). The temperature dependence of bulk modulus, specific heat, thermal expansion and gruneisen parameter have been calculated in our work within the temperature range of 0K to 900K with projected augmented wave (PAW) method using generalized gradient approximation (GGA). Our results show that the optimized lattice parameters are in good agreement with the earlier reported works and also for thermoelastic parameter, i.e. isothermal bulk modulus (B) at 0K indicates that monolayer MoS2 (48.5 GPa)is more compressible than the bulk structure (159.23 GPa). The thermal expansion of monolayer structure is slightly less than the bulk. Similarly, other parameters like heat capacity and gruneisen parameter shows different nature which is due to the confinement of 3 dimensional structure to 2 dimension (2D) for improving its transport characteristics.

46 CFR 98.25-65 - Filling density.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 4 2011-10-01 2011-10-01 false Filling density. 98.25-65 Section 98.25-65 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CARGO AND MISCELLANEOUS VESSELS SPECIAL CONSTRUCTION, ARRANGEMENT, AND OTHER PROVISIONS FOR CERTAIN DANGEROUS CARGOES IN BULK Anhydrous Ammonia in Bulk...

46 CFR 98.25-65 - Filling density.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 4 2010-10-01 2010-10-01 false Filling density. 98.25-65 Section 98.25-65 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CARGO AND MISCELLANEOUS VESSELS SPECIAL CONSTRUCTION, ARRANGEMENT, AND OTHER PROVISIONS FOR CERTAIN DANGEROUS CARGOES IN BULK Anhydrous Ammonia in Bulk...

46 CFR 98.25-65 - Filling density.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 4 2014-10-01 2014-10-01 false Filling density. 98.25-65 Section 98.25-65 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CARGO AND MISCELLANEOUS VESSELS SPECIAL CONSTRUCTION, ARRANGEMENT, AND OTHER PROVISIONS FOR CERTAIN DANGEROUS CARGOES IN BULK Anhydrous Ammonia in Bulk...

46 CFR 98.25-65 - Filling density.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 4 2013-10-01 2013-10-01 false Filling density. 98.25-65 Section 98.25-65 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CARGO AND MISCELLANEOUS VESSELS SPECIAL CONSTRUCTION, ARRANGEMENT, AND OTHER PROVISIONS FOR CERTAIN DANGEROUS CARGOES IN BULK Anhydrous Ammonia in Bulk...

46 CFR 98.25-65 - Filling density.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 4 2012-10-01 2012-10-01 false Filling density. 98.25-65 Section 98.25-65 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CARGO AND MISCELLANEOUS VESSELS SPECIAL CONSTRUCTION, ARRANGEMENT, AND OTHER PROVISIONS FOR CERTAIN DANGEROUS CARGOES IN BULK Anhydrous Ammonia in Bulk...

Pressure-Dependent Electronic and Transport Properties of Bulk Platinum Oxide by Density Functional Theory

NASA Astrophysics Data System (ADS)

Kansara, Shivam; Gupta, Sanjeev K.; Sonvane, Yogesh; Nekrasov, Kirill A.; Kichigina, Natalia V.

2018-02-01

The structural, electronic, and vibrational properties of bulk platinum oxide (PtO) at compressive pressures in the interval from 0 GPa to 35 GPa are investigated using the density functional theory. The calculated electronic band structure of PtO shows poor metallicity at very low density of states on the Fermi level. However, the hybrid pseudopotential calculation yielded 0.78 eV and 1.30 eV direct band and indirect gap, respectively. Importantly, our results predict that PtO has a direct band gap within the framework of HSE06, and it prefers equally zero magnetic order at different pressures. In the Raman spectra, peaks are slightly shifted towards higher frequency with the decrease in pressure. We have also calculated the thermoelectric properties, namely the electronic thermal conductivity and electrical conductivity, with respect to temperature and thermodynamic properties such as entropy, specific heat at constant volume, enthalpy and Gibbs free energy with respect to pressure. The result shows that PtO is a promising candidate for use as a catalyst, in sensors, as a photo-cathode in water electrolysis, for thermal decomposition of inorganic salt and fuel cells.

Radical re-appraisal of water structure in hydrophilic confinement.

PubMed

Soper, Alan K

2013-12-18

The structure of water confined in MCM41 silica cylindrical pores is studied to determine whether confined water is simply a version of the bulk liquid which can be substantially supercooled without crystallisation. A combination of total neutron scattering from the porous silica, both wet and dry, and computer simulation using a realistic model of the scattering substrate is used. The water in the pore is divided into three regions: core, interfacial and overlap. The average local densities of water in these simulations are found to be about 20% lower than bulk water density, while the density in the core region is below, but closer to, the bulk density. There is a decrease in both local and core densities when the temperature is lowered from 298 K to 210 K. The radical proposal is made here that water in hydrophilic confinement is under significant tension, around -100 MPa, inside the pore.

The crust of the Moon as seen by GRAIL.

PubMed

Wieczorek, Mark A; Neumann, Gregory A; Nimmo, Francis; Kiefer, Walter S; Taylor, G Jeffrey; Melosh, H Jay; Phillips, Roger J; Solomon, Sean C; Andrews-Hanna, Jeffrey C; Asmar, Sami W; Konopliv, Alexander S; Lemoine, Frank G; Smith, David E; Watkins, Michael M; Williams, James G; Zuber, Maria T

2013-02-08

High-resolution gravity data obtained from the dual Gravity Recovery and Interior Laboratory (GRAIL) spacecraft show that the bulk density of the Moon's highlands crust is 2550 kilograms per cubic meter, substantially lower than generally assumed. When combined with remote sensing and sample data, this density implies an average crustal porosity of 12% to depths of at least a few kilometers. Lateral variations in crustal porosity correlate with the largest impact basins, whereas lateral variations in crustal density correlate with crustal composition. The low-bulk crustal density allows construction of a global crustal thickness model that satisfies the Apollo seismic constraints, and with an average crustal thickness between 34 and 43 kilometers, the bulk refractory element composition of the Moon is not required to be enriched with respect to that of Earth.

Hydrogen bonded structure, polarity, molecular motion and frequency fluctuations at liquid-vapor interface of a water-methanol mixture: an ab initio molecular dynamics study.

PubMed

Choudhuri, Jyoti Roy; Chandra, Amalendu

2014-10-07

We have performed ab initio molecular dynamics simulations of a liquid-vapor interfacial system consisting of a mixture of water and methanol molecules. Detailed results are obtained for the structural and dynamical properties of the bulk and interfacial regions of the mixture. Among structural properties, we have looked at the inhomogeneous density profiles of water and methanol molecules, hydrogen bond distributions and also the orientational profiles of bulk and interfacial molecules. The methanol molecules are found to have a higher propensity to be at the interface than water molecules. It is found that the interfacial molecules show preference for specific orientations so as to form water-methanol hydrogen bonds at the interface with the hydrophobic methyl group pointing towards the vapor side. It is also found that for both types of molecules, the dipole moment decreases at the interface. It is also found that the local electric field of water influences the dipole moment of methanol molecules. Among the dynamical properties, we have calculated the diffusion, orientational relaxation, hydrogen bond dynamics, and vibrational frequency fluctuations in bulk and interfacial regions. It is found that the diffusion and orientation relaxation of the interfacial molecules are faster than those of the bulk. However, the hydrogen bond lifetimes are longer at the interface which can be correlated with the time scales found from the decay of frequency time correlations. The slower hydrogen bond dynamics for the interfacial molecules with respect to bulk can be attributed to diminished cooperative effects at the interface due to reduced density and number of hydrogen bonds.

Geoacoustic provinces and physical properties of surface sediments in the southern part of the East Sea, Korea

NASA Astrophysics Data System (ADS)

Kim, Sora; Bahk, Jang-Jun; Kim, Daechoul; Lee, Gwang Soo; Kim, Seong-Pil

2017-04-01

A total of 288 piston and box core samples were collected and analyzed to characterize the physical properties and geoacoustic provinces of surficial sediments in the southern part of the East Sea. Based on in-situ condition sound velocity (converted laboratory sound velocity to in-situ condition sound velocity) and sediment properties (sediment textures and physical properties), the study area was divided into eight provinces (Province IA, IB, IC, II, III, IV, VA, and VB) : (1) Province IA : hemi-pelagic mud partially mixed with intermittent sandy sediments originating from the outer shelf due to slide/slump or mass flows (in-situ condition sound velocity: 1439 m/s, mean grain size: 8.5Φ, bulk density: 1.24 g/cm3,and porosity: 84%); (2) Province IB : Holocene muddy sediments are dominant, but in some area that is influenced by the surrounding land and coast (in-situ condition sound velocity: 1448 m/s, mean grain size: 8.3Φ, bulk density: 1.32 g/cm3, and porosity: 79%); (3) Province IC : muddy sediments that were deposited during the Holocene (in-situ condition sound velocity: 1457 m/s, mean grain size: 7.8Φ, bulk density: 1.36 g/cm3, and porosity: 78%); (4) Province II : mixed recent and relict sediments (in-situ condition sound velocity: 1493 m/s, mean grain size: 5.9Φ, bulk density: 1.53 g/cm3, and porosity: 68%); (5) Province III (Pohang) : there is a mixture of muddy sediments and sandy sediments and sediments from Hyeongsan River are mostly deposited (in-situ condition sound velocity: 1586 m/s, mean grain size: 4.1Φ, bulk density: 1.74 g/cm3, and porosity: 57%); (6) Province IV : coarse-grained relict sediments formed during the Pleistocene (in-situ condition sound velocity: 1572 m/s, mean grain size: 4.1Φ, bulk density: 1.76 g/cm3, and porosity: 55%); (7) Province VA : relict sand with some gravel, show marked differences from the area in which muddy sediments are deposited (in-situ condition sound velocity: 1662 m/s, mean grain size: 3.3Φ, bulk density: 1.82 g/cm3, and porosity: 51%), and (8) Province VB : similar to but coarser sediments than Province IV (in-situ condition sound velocity: 1667 m/s, mean grain size: 3.2Φ, bulk density: 1.87 g/cm3, and porosity: 46%). The in-situ condition sound velocity, mean grain size, and bulk density increased from Province IA to Province VB, whereas the porosity and water content decrease. Variability of the physical and acoustic properties tended to follow the general of the mean grain size. The classification of each province using the in-situ condition sound velocity corrected with the temperature and sediment type provides a better reflection of the sediment properties and sedimentary environment.

Laboratory-Measured and Property-Transfer Modeled Saturated Hydraulic Conductivity of Snake River Plain Aquifer Sediments at the Idaho National Laboratory, Idaho

USGS Publications Warehouse

Perkins, Kim S.

2008-01-01

Sediments are believed to comprise as much as 50 percent of the Snake River Plain aquifer thickness in some locations within the Idaho National Laboratory. However, the hydraulic properties of these deep sediments have not been well characterized and they are not represented explicitly in the current conceptual model of subregional scale ground-water flow. The purpose of this study is to evaluate the nature of the sedimentary material within the aquifer and to test the applicability of a site-specific property-transfer model developed for the sedimentary interbeds of the unsaturated zone. Saturated hydraulic conductivity (Ksat) was measured for 10 core samples from sedimentary interbeds within the Snake River Plain aquifer and also estimated using the property-transfer model. The property-transfer model for predicting Ksat was previously developed using a multiple linear-regression technique with bulk physical-property measurements (bulk density [pbulk], the median particle diameter, and the uniformity coefficient) as the explanatory variables. The model systematically underestimates Ksat,typically by about a factor of 10, which likely is due to higher bulk-density values for the aquifer samples compared to the samples from the unsaturated zone upon which the model was developed. Linear relations between the logarithm of Ksat and pbulk also were explored for comparison.

Microwave sensing of moisture content and bulk density in flowing grain

USDA-ARS?s Scientific Manuscript database

Moisture content and bulk density were determined from measurement of the dielectric properties of flowing wheat kernels at a single microwave frequency (5.8 GHz). The measuring system consisted of two high-gain microwave patch antennas mounted on opposite sides of rectangular chute and connected to...

Thermal properties of soils: effect of biochar application

NASA Astrophysics Data System (ADS)

Usowicz, Boguslaw; Lukowski, Mateusz; Lipiec, Jerzy

2014-05-01

Thermal properties (thermal conductivity, heat capacity and thermal diffusivity) have a significant effect on the soil surface energy partitioning and resulting in the temperature distribution. Thermal properties of soil depend on water content, bulk density and organic matter content. An important source of organic matter is biochar. Biochar as a material is defined as: "charcoal for application as a soil conditioner". Biochar is generally associated with co-produced end products of pyrolysis. Many different materials are used as biomass feedstock for biochar, including wood, crop residues and manures. Additional predictions were done for terra preta soil (also known as "Amazonian dark earth"), high in charcoal content, due to adding a mixture of charcoal, bone, and manure for thousands of years i.e. approximately 10-1,000 times longer than residence times of most soil organic matter. The effect of biochar obtained from the wood biomass and other organic amendments (peat, compost) on soil thermal properties is presented in this paper. The results were compared with wetland soils of different organic matter content. The measurements of the thermal properties at various water contents were performed after incubation, under laboratory conditions using KD2Pro, Decagon Devices. The measured data were compared with predictions made using Usowicz statistical-physical model (Usowicz et al., 2006) for biochar, mineral soil and soil with addition of biochar at various water contents and bulk densities. The model operates statistically by probability of occurrence of contacts between particular fractional compounds. It combines physical properties, specific to particular compounds, into one apparent conductance specific to the mixture. The results revealed that addition of the biochar and other organic amendments into the soil caused considerable reduction of the thermal conductivity and diffusivity. The mineral soil showed the highest thermal conductivity and diffusivity that decreased in soil with addition of biochar and pure biochar. The reduction of both properties was mostly due to decrease in both particle density and bulk density. Both biochar and the organic amendments addition resulted in a decrease of the heat capacity of the mixtures in dry state and considerable increase in wet state. The lowest and highest reduction in the thermal conductivity with decreasing water content was obtained for pure biochar and mineral soil, respectively. The thermal diffusivity had a characteristic maximum at higher bulk densities and lower water contents. The wetland soil higher in organic matter content exhibit smaller temporal variation of the thermal properties compared to soils lower in organic matter content in response to changes of water content. The statistical-physical model was found to be useful for satisfactory predicting thermal properties of the soil with addition of biochar and organic amendments. Usowicz B. et al., 2006. Thermal conductivity modelling of terrestrial soil media - A comparative study. Planetary and Space Science 54, 1086-1095.

Real time monitoring of powder blend bulk density for coupled feed-forward/feed-back control of a continuous direct compaction tablet manufacturing process.

PubMed

Singh, Ravendra; Román-Ospino, Andrés D; Romañach, Rodolfo J; Ierapetritou, Marianthi; Ramachandran, Rohit

2015-11-10

The pharmaceutical industry is strictly regulated, where precise and accurate control of the end product quality is necessary to ensure the effectiveness of the drug products. For such control, the process and raw materials variability ideally need to be fed-forward in real time into an automatic control system so that a proactive action can be taken before it can affect the end product quality. Variations in raw material properties (e.g., particle size), feeder hopper level, amount of lubrication, milling and blending action, applied shear in different processing stages can affect the blend density significantly and thereby tablet weight, hardness and dissolution. Therefore, real time monitoring of powder bulk density variability and its incorporation into the automatic control system so that its effect can be mitigated proactively and efficiently is highly desired. However, real time monitoring of powder bulk density is still a challenging task because of different level of complexities. In this work, powder bulk density which has a significant effect on the critical quality attributes (CQA's) has been monitored in real time in a pilot-plant facility, using a NIR sensor. The sensitivity of the powder bulk density on critical process parameters (CPP's) and CQA's has been analyzed and thereby feed-forward controller has been designed. The measured signal can be used for feed-forward control so that the corrective actions on the density variations can be taken before they can influence the product quality. The coupled feed-forward/feed-back control system demonstrates improved control performance and improvements in the final product quality in the presence of process and raw material variations. Copyright © 2015 Elsevier B.V. All rights reserved.

The Fall and Recovery of the Tagish Lake Meteorite

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

Hildebrand, Alan R.; McCausland, Phil J.; Brown, Peter G.

2006-03-01

The Tagish Lake C2 (ungrouped) carbonaceous chondrite fall of January 18, 2000 delivered >10 kg of one of the most primitive and physically weak meteorites yet studied. In this paper we report the detailed circumstances of the fall and the recovery of all documented Tagish Lake fragments. We also provide measurements of bulk physical properties (mass, grain and bulk density), bulk triple oxygen-isotope ratios, and short-lived cosmogenic radionuclides counts for several fragments. Ground eyewitnesses and recorded observations of the Tagish Lake fireball event provide a refined estimate of the fireball trajectory, and hence, its pre-atmospheric orbit. From its calculated orbitmore » and its similarity to the remotely-sensed properties of the D and P-class asteroids, the Tagish Lake carbonaceous chondrite represents these outer belt asteroids, and is not of cometary origin. The bulk oxygen-isotope compositions reported here are among the highest known for meteorites. These data plot just below the Terrestrial Fractionation Line, following a trend similar to the CM meteorite mixing line. The bulk density of the Tagish Lake material (1.66 ±0.02 g/cm3) is the same, within error, as the total bulk densities of many C-class and especially D- and P-class asteroids. The high microporosity of Tagish Lake samples (~40%) provides an obvious candidate material for the composition of low bulk density primitive asteroids such as Phobos, Deimos and the P-class binary 87 Sylvia, without requiring a substantial contribution from macroporosity in the form of ice, thick regolith or “rubble pile” assemblages with large interior voids.« less

Statistical and Multifractal Evaluation of Soil Compaction in a Vineyard

NASA Astrophysics Data System (ADS)

Marinho, M.; Raposo, J. R.; Mirás Avalos, J. M.; Paz González, A.

2012-04-01

One of the detrimental effects caused by agricultural machines is soil compaction, which can be defined by an increase in soil bulk density. Soil compaction often has a negative impact on plant growth, since it reduces the macroporosity and soil permeability and increases resistance to penetration. Our research explored the effect of the agricultural machinery on soil when trafficking through a vineyard at a small spatial scale, based on the evaluation of the soil compaction status. The objectives of this study were: i) to quantify soil bulk density along transects following wine row, wheel track and outside track, and, ii) to characterize the variability of the bulk density along these transects using multifractal analysis. The field work was conducted at the experimental farm of EVEGA (Viticulture and Enology Centre of Galicia) located in Ponte San Clodio, Leiro, Orense, Spain. Three parallel transects were marked on positions with contrasting machine traffic effects, i.e. vine row, wheel-track and outside-track. Undisturbed samples were collected in 16 points of each transect, spaced 0.50 m apart, for bulk density determination using the cylinder method. Samples were taken in autumn 2011, after grape harvest. Since soil between vine rows was tilled and homogenized beginning spring 2011, cumulative effects of traffic during the vine growth period could be evaluated. The distribution patterns of soil bulk density were characterized by multifractal analysis carried out by the method of moments. Multifractality was assessed by several indexes derived from the mass exponent, τq, the generalized dimension, Dq, and the singularity spectrum, f(α), curves. Mean soil bulk density values determined for vine row, outside-track and wheel-track transects were 1.212 kg dm-3, 1.259 kg dm-3and 1.582 kg dm-3, respectively. The respective coefficients of variation (CV) for these three transects were 7.76%, 4.82% and 2.03%. Therefore mean bulk density under wheel-track was 30.5% higher than along the vine row. Vine row and outside-track positions showed not significant differences between means. The bulk density of the wheel-track transect also showed the lowest CV. The multifractal spectra of the three transects were asymmetric curves, rather short toward the left and much longer toward the right. The width of the right deviating shaped multifractal spectra was ranked as: wine row > outside-track ≈ wheel-track. Entropy dimension, D1, was 0.998, 0.992 and 0.992 for vine row, outside-track and track transects, respectively. These results show different patterns of variability of bulk density for parallel transects. They also suggest that multifractal parameters may be useful in assessing the variability of other soil properties such as soil particle density, soil porosity or soil water content, at different spatial scales as well. Acknowledgments. This work was funded in part by Spanish Ministry of Science and Innovation (MICINN) in the frame of project CGL2009-13700-C02. Financial support from CAPES/GOV., Brazil, is also acknowledged by Prof. M. Marinho.

Insights into soil carbon dynamics across climatic gradients from carbon-pool specific radiocarbon analyses

NASA Astrophysics Data System (ADS)

van der Voort, Tessa Sophia; Hagedorn, Frank; McIntyre, Cameron; Zell, Claudia; Eglinton, Timothy Ian

2017-04-01

Soil carbon constitutes the largest terrestrial reservoir of organic carbon, and therefore understanding the mechanisms and drivers of carbon stabilization is crucial, especially in the framework of climate change. The understanding of the dependence of soil organic turnover in specific carbon pools as related to e.g. climate, soil texture and mineralogy is limited. In this framework, radiocarbon constitutes a uniquely powerful tool that help to unravel carbon dynamics from decadal to millennial timescales. This project combines bulk and pool-specific radiocarbon analyses in the top and deep soil on a wide range of forested soils that span a large climatic gradient (MAT 1.3-9.2°C, MAP 600 to 2100 mm m-2y-1). These well-studies sites are part of the Long-Term Forest Ecosystem Research (LWF) program of the Swiss Federal Institute for Forest, Snow and Landscape research (WSL). This study aims to combine the insights gained from bulk and pool-specific turnover to environmental conditions and molecular composition of soil carbon. The pools investigated span the mineral-associated (occluded and heavy fractions from density fractionation) and potentially water-soluble (free light fractions from density fractionation and water extractable organic carbon) organic carbon fractions. Pool-specific radiocarbon work is augmented by the measurement of abundance of compounds such as alkanes, fatty acids and lignin phenols on a subset of samples. Initial results show disparate patterns depending on soil type and in particular soil texture, which could be indicative of various stabilization mechanisms in different soils. Overall, this study provides new insights into the controls of soil organic matter dynamics as related to environmental conditions, in particular in specific sub-pools of carbon.

A review on biomass classification and composition, cofiring issues and pretreatment methods

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

Jaya Shankar Tumuluru; Shahab Sokhansanj; Christopher T. Wright

Presently around the globe there is a significant interest in using biomass for power generation as power generation from coal continues to raise environmental concerns. Biomass alone can be used for generation of power which can bring lot of environmental benefits. However the constraints of using biomass alone can include high investments costs for biomass feed systems and also uncertainty in the security of the feedstock supply due to seasonal variations and in most of the countries biomass is dispersed and the infrastructure for biomass supply is not well established. Alternatively cofiring biomass along with coal offer advantages like (a)more » reducing the issues related to biomass quality and buffers the system when there is insufficient feedstock quantity and (b) costs of adapting the existing coal power plants will be lower than building new systems dedicated only to biomass. However with the above said advantages there exists some technical constrains including low heating and energy density values, low bulk density, lower grindability index, higher moisture and ash content to successfully cofire biomass with coal. In order to successfully cofire biomass with coal, biomass feedstock specifications need to be established to direct pretreatment options that may include increasing the energy density, bulk density, stability during storage and grindability. Impacts on particle transport systems, flame stability, pollutant formation and boiler tube fouling/corrosion must also be minimized by setting feedstock specifications including composition and blend ratios if necessary. Some of these limitations can be overcome by using pretreatment methods. This paper discusses the impact of feedstock pretreatment methods like sizing, baling, pelletizing, briquetting, washing/leaching, torrefaction, torrefaction and pelletization and steam explosion in attainment of optimum feedstock characteristics to successfully cofire biomass with coal.« less

Temperature dependence of the structural relaxation time in equilibrium below the nominal T(g): results from freestanding polymer films.

PubMed

Ngai, K L; Capaccioli, Simone; Paluch, Marian; Prevosto, Daniele

2014-05-22

When the thickness is reduced to nanometer scale, freestanding high molecular weight polymer thin films undergo large reduction of degree of cooperativity and coupling parameter n in the Coupling Model (CM). The finite-size effect together with the surfaces with high mobility make the α-relaxation time of the polymer in nanoconfinement, τ(α)(nano)(T), much shorter than τ(α)(bulk)(T) in the bulk. The consequence is avoidance of vitrification at and below the bulk glass transition temperature, T(g)(bulk), on cooling, and the freestanding polymer thin film remains at thermodynamic equilibrium at temperatures below T(g)(bulk). Molecular dynamics simulations have shown that the specific volume of the freestanding film is the same as the bulk glass-former at equilibrium at the same temperatures. Extreme nanoconfinement renders total or almost total removal of cooperativity of the α-relaxation, and τ(α)(nano)(T) becomes the same or almost the same as the JG β-relaxation time τ(β)(bulk)(T) of the bulk glass-former at equilibrium and at temperatures below T(g)(bulk). Taking advantage of being able to obtain τ(β)(bulk)(T) at equilibrium density below T(g)(bulk) by extreme nanoconfinement of the freestanding films, and using the CM relation between τ(α)(bulk)(T) and τ(β)(bulk)(T), we conclude that the Vogel-Fulcher-Tammann-Hesse (VFTH) dependence of τ(α)(bulk)(T) cannot hold for glass-formers in equilibrium at temperatures significantly below T(g)(bulk). In addition, τ(α)(bulk)(T) does not diverge at the Vogel temperature, T₀, as suggested by the VFTH-dependence and predicted by some theories of glass transition. Instead, τ(α)(bulk)(T) of the glass-former at equilibrium has a much weaker temperature dependence than the VFTH-dependence at temperature below T(g)(bulk) and even below T₀. This conclusion from our analysis is consistent with the temperature dependence of τ(α)(bulk)(T) found experimentally in polymers aged long enough time to attain the equilibrium state at various temperatures below T(g)(bulk).

Dielectric properties-based method for rapid and nondestructive moisture sensing in almonds

USDA-ARS?s Scientific Manuscript database

A dielectric-based method is presented for moisture determination in almonds independent of bulk density. The dielectric properties of almond were measured between 5 and 15 GHz, with a 1-GHz increments, for samples with moisture contents ranging from 4.8% to 16.5%, wet basis, bulk densities ranging ...

Soil compaction and initial height growth of planted ponderosa pine.

Treesearch

P. H. Cochran; Terry. Brock

1985-01-01

Early height growth of ponderosa pine (Pinus ponderosa Dougl. ex Laws.) seedlings planted in clearcuts in central Oregon was negatively correlated with increasing soil bulk density. Change in bulk density accounted for less than half the total variation in height growth. Although many other factors affect the development of seedlings, compaction...

The Influence of Fuel Properties on Combustion Efficiency and the Partitioning of Pyrogenic Carbon

NASA Astrophysics Data System (ADS)

Urbanski, S. P.; Baker, S. P.; Lincoln, E.; Richardson, M.

2016-12-01

The partitioning of volatized pyrogenic carbon into CO2, CO, CH4, non-methane organic carbon, and particulate organic carbon (POC) and elemental carbon (PEC) depends on the combustion characteristics of biomass fires which are influenced by the moisture content, structure and arrangement of the fuels. Flaming combustion is characterized by efficient conversion of volatized carbon into CO2. In contrast, smoldering is less efficient and produces incomplete combustion products like CH4 and carbonaceous particles. This paper presents a laboratory study that has examined the relationship between the partitioning of volatized pyrogenic carbon and specific fuel properties. The study focused on fuel beds composed of simple fuel particles — ponderosa pine needles. Ponderosa pine was selected because it contains a common wildland fuel component, conifer needles, which can be easily arranged into fuel beds of variable structure (bulk density and depth) and moisture contents that are both representative of natural conditions and are easily replicated. Modified combustion efficiency (MCE, ΔCO2/[ΔCO2+ ΔCO]) and emission factors (EF) for CO2, CO, CH4, POC, and PEC were measured over a range of needle moisture content and fuel bed bulk density and depth representative of naturally occurring fuel beds. We found that, as expected, MCE decreases as the fuel bed bulk density increases and emissions of CO, CH4, PM2.5, and POC increased. However, fuel bed depth did not appear to have an effect on how effect on MCE or emission factors. Surprisingly, a consistent relationship between the needle moisture content and emissions was not identified. At the high bulk densities, moisture content had a strong influence on MCE which explained variability in EFCH4. However, moisture content appeared to have an influence EFPOC and EFPEC that was independent of MCE. These findings may have significant implications since many models of biomass burning assume that litter fuels, such as ponderosa pine needles, burn almost exclusively via flaming combustion with a high efficiency. Our results indicate that for fuel bed properties typical of many conifer forests, pollutants generated from fires will be higher than that predicted using standard biomass burning models.

Petrophysical Properties of Twenty Drill Cores from the Los Azufres, Mexico, Geothermal Field

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

Iglesias, E.R.; Contreras L., E.; Garcia G., A.

1987-01-20

For this study we selected 20 drill cores covering a wide range of depths (400-3000 m), from 15 wells, that provide a reasonable coverage of the field. Only andesite, the largely predominant rock type in the field, was included in this sample. We measured bulk density, grain (solids) density, effective porosity and (matrix) permeability on a considerable number of specimens taken from the cores; and inferred the corresponding total porosity and fraction of interconnected total porosity. We characterized the statistical distributions of the measured and inferred variables. The distributions of bulk density and grain density resulted approximately normal; the distributionsmore » of effective porosity, total porosity and fraction of total porosity turned out to be bimodal; the permeability distribution resulted highly skewed towards very small (1 mdarcy) values, though values as high as 400 mdarcies were measured. We also characterized the internal inhomogeneity of the cores by means of the ratio (standard deviation/mean) corresponding to the bulk density in each core (in average there are 9 specimens per core). The cores were found to present clearly discernible inhomogeneity; this quantitative characterization will help design new experimental work and interpret currently available and forthcoming results. We also found statistically significant linear correlations between total density and density of solids, effective porosity and total density, total porosity and total density, fraction of interconnected total porosity and the inverse of the effective porosity, total porosity and effective porosity; bulk density and total porosity also correlate with elevation. These results provide the first sizable and statistically detailed database available on petrophysical properties of the Los Azufres andesites. 1 tab., 16 figs., 4 refs.« less

Structural differences existing in bulk and nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7}: Investigated by experimental and theoretical methods

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

Nigam, Sandeep, E-mail: snigam@barc.gov.in; Sudarsan, V., E-mail: vsudar@barc.gov.in; Majumder, C.

Present manuscript deals with the structural changes associated with transformation of bulk Y{sub 2}Sn{sub 2}O{sub 7} into nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7}. Nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7} both undoped and Eu{sup 3+} doped, were prepared at a relatively low temperature (700 °C) and investigated for their structural and luminescence properties and compared them with that of bulk Y{sub 2}Sn{sub 2}O{sub 7} sample prepared by the solid-state method at 1300 °C. Significant distortion in geometry and electron density distribution around Y{sup 3+}/Eu{sup 3+} ions in nanoparticles are confirmed from the Rietveld refinement of the powder X-ray diffraction patterns andmore » theoretical calculations based on the density functional theory (DFT). The SnO{sub 6} octahedron in Y{sub 2}Sn{sub 2}O{sub 7} is more expanded in nanoparticles compared to bulk. Iso-surface density distribution reveals that while bulk sample shows typical ionic feature in Y/Eu--O bonds, nanoparticle sample shows sharing of electron density along bond axis pertaining to covalent character. These inferences are further supported by the doped Eu{sup 3+} luminescence and calculated Ω{sub 2} and Ω{sub 4} parameters. - Graphical abstract: YO{sub 8} scalenohedron present in bulk and nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7}.Variation of the electron density around Y{sup 3+} ions in YO{sub 8} polyhedron is also shown in bulk and nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7}. The difference in the extent of ionic/covalent nature of the Y--O bond is clearly seen the contour plot of electron density. Highlights: ► YO{sub 8} scalenohedron is axially and equatorially distorted in Y{sub 2}Sn{sub 2}O{sub 7} nanoparticles. ► Enlargement of SnO{sub 6} octahedron in nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7} compared to bulk. ► Less symmetric charge distribution around Y{sup 3+} ions in Y{sub 2}Sn{sub 2}O{sub 7} nanoparticles.« less

A Semi-Analytical Extraction Method for Interface and Bulk Density of States in Metal Oxide Thin-Film Transistors

PubMed Central

Chen, Weifeng; Wu, Weijing; Zhou, Lei; Xu, Miao; Wang, Lei; Peng, Junbiao

2018-01-01

A semi-analytical extraction method of interface and bulk density of states (DOS) is proposed by using the low-frequency capacitance–voltage characteristics and current–voltage characteristics of indium zinc oxide thin-film transistors (IZO TFTs). In this work, an exponential potential distribution along the depth direction of the active layer is assumed and confirmed by numerical solution of Poisson’s equation followed by device simulation. The interface DOS is obtained as a superposition of constant deep states and exponential tail states. Moreover, it is shown that the bulk DOS may be represented by the superposition of exponential deep states and exponential tail states. The extracted values of bulk DOS and interface DOS are further verified by comparing the measured transfer and output characteristics of IZO TFTs with the simulation results by a 2D device simulator ATLAS (Silvaco). As a result, the proposed extraction method may be useful for diagnosing and characterising metal oxide TFTs since it is fast to extract interface and bulk density of states (DOS) simultaneously. PMID:29534492

Spatial variability of shelf sediments in the STRATAFORM natural laboratory, Northern California

USGS Publications Warehouse

Goff, J.A.; Wheatcroft, R.A.; Lee, H.; Drake, D.E.; Swift, D.J.P.; Fan, S.

2002-01-01

The "Correlation Length Experiment", an intensive box coring effort on the Eel River shelf (Northern California) in the summer of 1997, endeavored to characterize the lateral variability of near-surface shelf sediments over scales of meters to kilometers. Coring focused on two sites, K60 and S60, separated by ??? 15 km along the 60 m isobath. The sites are near the sand-to-mud transition, although K60 is sandier owing to its proximity to the Eel River mouth. Nearly 140 cores were collected on dip and strike lines with core intervals from < 10m to 1 km. Measurements on each core included bulk density computed from gamma-ray attenuation, porosity converted from resistivity measurements, and surficial grain size. Grain size was also measured over the full depth range within a select subset of cores. X-radiograph images were also examined. Semi-variograms were computed for strike, dip, and down-hole directions at each site. The sand-to-mud transition exerts a strong influence on all measurements: on average, bulk density increases and porosity decreases with regional increases in mean grain size. Analysis of bulk density measurements indicates very strong contrasts in the sediment variability at K60 and S60. No coherent bedding is seen at K60; in the strike direction, horizontal variability is "white" (fully uncorrelated) from the smallest scales examined (a few meters) to the largest (8 km), with a variance equal to that seen within the cores. In contrast, coherent bedding exists at S60 related to the preservation of the 1995 flood deposit. A correlatable structure is found in the strike direction with a decorrelation distance of ??? 800 m, and can be related to long-wavelength undulations in the topography and/or thickness of the flood layer or overburden. We hypothesize that the high degree of bulk density variability at K60 is a result of more intense physical reworking of the seabed in the sandier environment. Without significant averaging, the resistivity-based porosity measurements are only marginally correlated to gamma-ray-bulk density measurements, and are largely independent of mean grain size. Furthermore, porosity displays a high degree of incoherent variability at both sites. Porosity, with a much smaller sample volume than bulk density, may therefore resolve small-scale biogenic variability which is filtered out in the bulk density measurement. ?? 2002 Elsevier Science Ltd. All rights reserved.

Method for determining transport critical current densities and flux penetration depth in bulk superconductors

NASA Technical Reports Server (NTRS)

Israelsson, Ulf E. (Inventor); Strayer, Donald M. (Inventor)

1992-01-01

A contact-less method for determining transport critical current density and flux penetration depth in bulk superconductor material. A compressor having a hollow interior and a plunger for selectively reducing the free space area for distribution of the magnetic flux therein are formed of superconductor material. Analytical relationships, based upon the critical state model, Maxwell's equations and geometrical relationships define transport critical current density and flux penetration depth in terms of the initial trapped magnetic flux density and the ratio between initial and final magnetic flux densities whereby data may be reliably determined by means of the simple test apparatus for evaluating the current density and flux penetration depth.

Method of altering the effective bulk density of solid material and the resulting product

DOEpatents

Kool, Lawrence B.; Nolen, Robert L.; Solomon, David E.

1983-01-01

A method of adjustably tailoring the effective bulk density of a solid material in which a mixture comprising the solid material, a film-forming polymer and a volatile solvent are sprayed into a drying chamber such that the solvent evaporates and the polymer dries into hollow shells having the solid material captured within the shell walls. Shell density may be varied as a function of solid/polymer concentration, droplet size and drying temperature.

Impact of lattice dynamics on the phase stability of metamagnetic FeRh: Bulk and thin films

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

Wolloch, M.; Gruner, M. E.; Keune, W.

2016-11-01

We present phonon dispersions, element-resolved vibrational density of states (VDOS) and corresponding thermodynamic properties obtained by a combination of density functional theory (DFT) and nuclear resonant inelastic x-ray scattering (NRIXS) across the metamagnetic transition of B2 FeRh in the bulk material and thin epitaxial films. We see distinct differences in the VDOS of the antiferromagnetic (AF) and ferromagnetic (FM) phases, which provide a microscopic proof of strong spin-phonon coupling in FeRh. The FM VDOS exhibits a particular sensitivity to the slight tetragonal distortions present in epitaxial films, which is not encountered in the AF phase. This results in a notablemore » change in lattice entropy, which is important for the comparison between thin film and bulk results. Our calculations confirm the recently reported lattice instability in the AF phase. The imaginary frequencies at the X point depend critically on the Fe magnetic moment and atomic volume. Analyzing these nonvibrational modes leads to the discovery of a stable monoclinic ground-state structure, which is robustly predicted from DFT but not verified in our thin film experiments. Specific heat, entropy, and free energy calculated within the quasiharmonic approximation suggest that the new phase is possibly suppressed because of its relatively smaller lattice entropy. In the bulk phase, lattice vibrations contribute with the same sign and in similar magnitude to the isostructural AF-FM phase transition as excitations of the electronic and magnetic subsystems demonstrating that lattice degrees of freedom need to be included in thermodynamic modeling.« less

Classical density functional theory and Monte Carlo simulation study of electric double layer in the vicinity of a cylindrical electrode

NASA Astrophysics Data System (ADS)

Zhou, Shiqi; Lamperski, Stanisław; Sokołowska, Marta

2017-07-01

We have performed extensive Monte-Carlo simulations and classical density functional theory (DFT) calculations of the electrical double layer (EDL) near a cylindrical electrode in a primitive model (PM) modified by incorporating interionic dispersion interactions. It is concluded that (i) in general, an unsophisticated use of the mean field (MF) approximation for the interionic dispersion interactions does not distinctly worsen the classical DFT performance, even if the salt ions considered are highly asymmetrical in size (3:1) and charge (5:1), the bulk molar concentration considered is high up to a total bulk ion packing fraction of 0.314, and the surface charge density of up to 0.5 C m-2. (ii) More specifically, considering the possible noises in the simulation, the local volume charge density profiles are the most accurately predicted by the classical DFT in all situations, and the co- and counter-ion singlet distributions are also rather accurately predicted; whereas the mean electrostatic potential profile is relatively less accurately predicted due to an integral amplification of minor inaccuracy of the singlet distributions. (iii) It is found that the layered structure of the co-ion distribution is abnormally possible only if the surface charge density is high enough (for example 0.5 C m-2) moreover, the co-ion valence abnormally influences the peak height of the first counter-ion layer, which decreases with the former. (iv) Even if both the simulation and DFT indicate an insignificant contribution of the interionic dispersion interaction to the above three ‘local’ quantities, it is clearly shown by the classical DFT that the interionic dispersion interaction does significantly influence a ‘global’ quantity like the cylinder surface-aqueous electrolyte interfacial tension, and this may imply the role of the interionic dispersion interaction in explaining the specific Hofmeister effects. We elucidate all of the above observations based on the arguments from the liquid state theory and at the molecular scale.

Estimating canopy bulk density and canopy base height for interior western US conifer stands

Treesearch

Seth A. Ex; Frederick W. Smith; Tara L. Keyser; Stephanie A. Rebain

2016-01-01

Crown fire hazard is often quantified using effective canopy bulk density (CBD) and canopy base height (CBH). When CBD and CBH are estimated using nonlocal crown fuel biomass allometries and uniform crown fuel distribution assumptions, as is common practice, values may differ from estimates made using local allometries and nonuniform...

Estimating forest canopy bulk density using six indirect methods

Treesearch

Robert E. Keane; Elizabeth D. Reinhardt; Joe Scott; Kathy Gray; James Reardon

2005-01-01

Canopy bulk density (CBD) is an important crown characteristic needed to predict crown fire spread, yet it is difficult to measure in the field. Presented here is a comprehensive research effort to evaluate six indirect sampling techniques for estimating CBD. As reference data, detailed crown fuel biomass measurements were taken on each tree within fixed-area plots...

BDEN: A timesaving computer program for calculating soil bulk density and water content.

Treesearch

Lynn G. Starr; Michael J. Geist

1983-01-01

This paper presents an interactive computer program written in BASIC language that will calculate soil bulk density and moisture percentage by weight and volume. Coarse fragment weights are required. The program will also summarize the resulting data giving mean, standard deviation, and 95-percent confidence interval on one or more groupings of data.

Susceptibility of volcanic ash-influenced soil in northern Idaho to mechanical compaction

Treesearch

Deborah S. Page-Dumroese

1993-01-01

Timber harvesting and mechanical site preparation can reduce site productivity if they excessively disturb or compact the soil. Volcanic ash-influenced soils with low undisturbed bulk densities and rock content are particularly susceptible. This study evaluates the effects of harvesting and site preparation on changes in the bulk density of ash-influenced forest soils...

Soil Compaction Absent in Plantation Thinning

Treesearch

Tony King; Sharon Haines

1979-01-01

We examine the effects on soil bulk density by using a TH-105 Thinner Harvester and two forwarders in a mechanically thinned slash pine (Pinus elliottii Engelm.) plantation. Points in the machine tracks were sampled before and after harvesting at depths of 5 and 10 cm (2 and 4 in) for moisture and bulk density. Both the standard gravimetric method...

Understanding the effect of surface/bulk defects on the photocatalytic activity of TiO2: anatase versus rutile.

PubMed

Yan, Junqing; Wu, Guangjun; Guan, Naijia; Li, Landong; Li, Zhuoxin; Cao, Xingzhong

2013-07-14

The sole effect of surface/bulk defects of TiO2 samples on their photocatalytic activity was investigated. Nano-sized anatase and rutile TiO2 were prepared by hydrothermal method and their surface/bulk defects were adjusted simply by calcination at different temperatures, i.e. 400-700 °C. High temperature calcinations induced the growth of crystalline sizes and a decrease in the surface areas, while the crystalline phase and the exposed facets were kept unchanged during calcination, as indicated by the characterization results from XRD, Raman, nitrogen adsorption-desorption, TEM and UV-Vis spectra. The existence of surface/bulk defects in calcined TiO2 samples was confirmed by photoluminescence and XPS spectra, and the surface/bulk defect ratio was quantitatively analyzed according to positron annihilation results. The photocatalytic activity of calcined TiO2 samples was evaluated in the photocatalytic reforming of methanol and the photocatalytic oxidation of α-phenethyl alcohol. Based on the characterization and catalytic results, a direct correlation between the surface specific photocatalytic activity and the surface/bulk defect density ratio could be drawn for both anatase TiO2 and rutile TiO2. The surface defects of TiO2, i.e. oxygen vacancy clusters, could promote the separation of electron-hole pairs under irradiation, and therefore, enhance the activity during photocatalytic reaction.

Accurate heterogeneous dose calculation for lung cancer patients without high‐resolution CT densities

PubMed Central

Li, Jonathan G.; Liu, Chihray; Olivier, Kenneth R.; Dempsey, James F.

2009-01-01

The aim of this study was to investigate the relative accuracy of megavoltage photon‐beam dose calculations employing either five bulk densities or independent voxel densities determined by calibration of the CT Houndsfield number. Full‐resolution CT and bulk density treatment plans were generated for 70 lung or esophageal cancer tumors (66 cases) using a commercial treatment planning system with an adaptive convolution dose calculation algorithm (Pinnacle3, Philips Medicals Systems). Bulk densities were applied to segmented regions. Individual and population average densities were compared to the full‐resolution plan for each case. Monitor units were kept constant and no normalizations were employed. Dose volume histograms (DVH) and dose difference distributions were examined for all cases. The average densities of the segmented air, lung, fat, soft tissue, and bone for the entire set were found to be 0.14, 0.26, 0.89, 1.02, and 1.12 g/cm3, respectively. In all cases, the normal tissue DVH agreed to better than 2% in dose. In 62 of 70 DVHs of the planning target volume (PTV), agreement to better than 3% in dose was observed. Six cases demonstrated emphysema, one with bullous formations and one with a hiatus hernia having a large volume of gas. These required the additional assignment of density to the emphysemic lung and inflammatory changes to the lung, the regions of collapsed lung, the bullous formations, and the hernia gas. Bulk tissue density dose calculation provides an accurate method of heterogeneous dose calculation. However, patients with advanced emphysema may require high‐resolution CT studies for accurate treatment planning. PACS number: 87.53.Tf

Pseudopotential theoretical study of the alkali metals under arbitrary pressure: Density, bulk modulus, and shear moduli

NASA Astrophysics Data System (ADS)

Rasky, Daniel J.; Milstein, Frederick

1986-02-01

Milstein and Hill previously derived formulas for computing the bulk and shear moduli, κ, μ, and μ', at arbitrary pressures, for cubic crystals in which interatomic interaction energies are modeled by pairwise functions, and they carried out the moduli computations using the complete family of Morse functions. The present study extends their work to a pseudopotential description of atomic binding. Specifically: (1) General formulas are derived for determining these moduli under hydrostatic loading within the framework of a pseudopotential model. (2) A two-parameter pseudopotential model is used to describe atomic binding of the alkali metals, and the two parameters are determined from experimental data (the model employs the Heine-Abarenkov potential with the Taylor dielectric function). (3) For each alkali metal (Li, Na, K, Rb, and Cs), the model is used to compute the pressure-versus-volume behavior and, at zero pressure, the binding energy, the density, and the elastic moduli and their pressure derivatives; the theoretical behavior is found to be in excellent agreement with experiment. (4) Calculations are made of κ, μ, and μ' of the bcc alkali metals over wide ranges of hydrostatic compression and expansion. (5) The pseudopotential results are compared with those of arbitrary-central-force models (wherein κ-(2/3)μ=μ'+2P) and with the specific Morse-function results. The pressures, bulk moduli, and zero-pressure shear moduli (as determined for the Morse and pseudopotential models) are in excellent agreement, but important differences appear in the shear moduli under high compressions. The computations in the present paper are for the bcc metals; a subsequent paper will extend this work to include both the bcc and fcc structures, at compressions and expansions where elastic stability or lattice cohesion is, in practice, lost.

Measurement of the Specific Heat Using a Gravity Cancellation Approach

NASA Technical Reports Server (NTRS)

Zhong, Fang

2003-01-01

The specific heat at constant volume C(sob V) of a simple fluid diverges near its liquid-vapor critical point. However, gravity-induced density stratification due to the divergence of isothermal susceptibility hinders the direct comparison of the experimental data with the predictions of renormalization group theory. In the past, a microgravity environment has been considered essential to eliminate the density stratification. We propose to perform specific heat measurements of He-3 on the ground using a method to cancel the density stratification. A He-3 fluid layer will be heated from below, using the thermal expansion of the fluid to cancel the hydrostatic compression. A 6% density stratification at a reduced temperature of 10(exp -5) can be cancelled to better than 0.1% with a steady 1.7 micro K temperature difference across a 0.05 cm thick fluid layer. A conventional AC calorimetry technique will be used to determine the heat capacity. The minimized bulk density stratification with a relaxation time 6500 sec at a reduced temperature of 10(exp -5) will stay unchanged during 1 Hz AC heating. The smear of the specific heat divergence due to the temperature difference across the cell is about 0.1% at a reduced temperature of 10(exp -6). The combination of using High Resolution Thermometry with a 0.5 n K temperature resolution in the AC technique and the cancellation of the density stratification will enable C(sub V) to be measured down to a reduced temperature of 10(exp -6) with less than a 1% systematic error.

Investigation of the bulk modulus of silica aerogel using molecular dynamics simulations of a coarse-grained model.

PubMed

Ferreiro-Rangel, Carlos A; Gelb, Lev D

2013-06-13

Structural and mechanical properties of silica aerogels are studied using a flexible coarse-grained model and a variety of simulation techniques. The model, introduced in a previous study (J. Phys. Chem. C 2007, 111, 15792-15802), consists of spherical "primary" gel particles that interact through weak nonbonded forces and through microscopically motivated interparticle bonds that may break and form during the simulations. Aerogel models are prepared using a three-stage protocol consisting of separate simulations of gelation, aging, and a final relaxation during which no further bond formation is permitted. Models of varying particle size, density, and size dispersity are considered. These are characterized in terms of fractal dimensions and pore size distributions, and generally good agreement with experimental data is obtained for these metrics. The bulk moduli of these materials are studied in detail. Two different techniques for obtaining the bulk modulus are considered, fluctuation analysis and direct compression/expansion simulations. We find that the fluctuation result can be subject to systematic error due to coupling with the simulation barostat but, if performed carefully, yields results equivalent with those of compression/expansion experiments. The dependence of the bulk modulus on density follows a power law with an exponent between 3.00 and 3.15, in agreement with reported experimental results. The best correlate for the bulk modulus appears to be the volumetric bond density, on which there is also a power law dependence. Polydisperse models exhibit lower bulk moduli than comparable monodisperse models, which is due to lower bond densities in the polydisperse materials.

Band-gap corrected density functional theory calculations for InAs/GaSb type II superlattices

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

Wang, Jianwei; Zhang, Yong

2014-12-07

We performed pseudopotential based density functional theory (DFT) calculations for GaSb/InAs type II superlattices (T2SLs), with bandgap errors from the local density approximation mitigated by applying an empirical method to correct the bulk bandgaps. Specifically, this work (1) compared the calculated bandgaps with experimental data and non-self-consistent atomistic methods; (2) calculated the T2SL band structures with varying structural parameters; (3) investigated the interfacial effects associated with the no-common-atom heterostructure; and (4) studied the strain effect due to lattice mismatch between the two components. This work demonstrates the feasibility of applying the DFT method to more exotic heterostructures and defect problemsmore » related to this material system.« less

Citrate gel-combustion synthesis and sintering of nanocrystalline ThO2 powders

NASA Astrophysics Data System (ADS)

Sanjay Kumar, D.; Ananthasivan, K.; Amirthapandian, S.; Dasgupta, Arup; Jogeswara Rao, G.

2017-12-01

A systematic study of the influence of citric acid to nitrate mole (R) ratio (R = 0 to 0.50) on the citrate gel-combustion synthesis of nanocrystalline (nc) ThO2 in bulk quantities (30 g) by using citrate gel-combustion was carried out. The nc-ThO2 powders were characterized for their bulk density, size distribution of particles, specific surface area, carbon residue and X-ray crystallite size. All these powders were compacted at pressures varying from 60 to 353 MPa and sintered by using the "two-step sintering" method. Powders prepared from a mixture with an "R" value of 0.125 compacted at 243 MPa yielded a maximum sintered density of 98.8 ± 0.3% T.D. For nc-ThO2, this is the highest sintered density reported so far. The microstructural investigations on nc-ThO2 powders were carried out by using both scanning electron microscopy (SEM) and transmission electron microscopy (TEM). SEM images of the sintered thoria monoliths revealed faceted grains with well defined grain boundaries. Shrinkage anisotropy factor (α) revealed that the compacts prepared from the powders obtained from starting mixtures with R values of 0.125-0.50 had undergone uniform sintering (near isotropic shrinkage).

Nutrition quality of extraction mannan residue from palm kernel cake on brolier chicken

NASA Astrophysics Data System (ADS)

Tafsin, M.; Hanafi, N. D.; Kejora, E.; Yusraini, E.

2018-02-01

This study aims to find out the nutrient residue of palm kernel cake from mannan extraction on broiler chicken by evaluating physical quality (specific gravity, bulk density and compacted bulk density), chemical quality (proximate analysis and Van Soest Test) and biological test (metabolizable energy). Treatment composed of T0 : palm kernel cake extracted aquadest (control), T1 : palm kernel cake extracted acetic acid (CH3COOH) 1%, T2 : palm kernel cake extracted aquadest + mannanase enzyme 100 u/l and T3 : palm kernel cake extracted acetic acid (CH3COOH) 1% + enzyme mannanase 100 u/l. The results showed that mannan extraction had significant effect (P<0.05) in improving the quality of physical and numerically increase the value of crude protein and decrease the value of NDF (Neutral Detergent Fiber). Treatments had highly significant influence (P<0.01) on the metabolizable energy value of palm kernel cake residue in broiler chickens. It can be concluded that extraction with aquadest + enzyme mannanase 100 u/l yields the best nutrient quality of palm kernel cake residue for broiler chicken.

Relationships between Soil compaction and harvest season, soil texture, and landscape position for aspen forests

Treesearch

Randy Kolka; Aaron Steber; Ken Brooks; Charles H. Perry; Matt Powers

2012-01-01

Although a number of harvesting studies have assessed compaction, no study has considered the interacting relationships of harvest season, soil texture, and landscape position on soil bulk density and surface soil strength for harvests in the western Lake States. In 2005, we measured bulk density and surface soil strength in recent clearcuts of predominantly aspen...

Factors influencing soil-surface bulk density on oak savanna rangeland in the southern Sierra Nevada foothills

Treesearch

Dennis M. Dudley; Kenneth W. Tate; Neil K. McDougald; Melvin R. George

2002-01-01

The objectives of this study were to compare soil-surface bulk density between rangeland pastures not grazed since 1935, 1975, and 1995 to grazed areas with a 15-year record of light (>1,000 lbs ac-1 RDM), moderate (600-800 lbs ac-1 RDM), and heavy (-1 RDM) grazing by beef cattle; and...

Soil compaction after yarding of small-diameter Douglas-fir with a small tractor in southwest Oregon.

Treesearch

Michael P. Amaranthus; David E. Steinfeld

1997-01-01

This study evaluated the effect on soil bulk density of yarding small-diameter Douglas-fir (Pseudosuga menziesii var. glauca (Beissn.) Franco) with a small tractor. Levels of compaction were measured before yarding and after one trip, three trips, and six trips by the tractor. Bulk densities in the surface (10 cm) and...

Soil bulk density and soil moisture calculated with a FORTRAN 77 program.

Treesearch

G.L. Starr; J.M. Geist

1988-01-01

This paper presents an improved version of BDEN, an interactive computer program written in FORTRAN 77 that will calculate soil bulk density and moisture percentage by weight and volume. Calculations allow for deducting coarse fragment weight and volume. The program will also summarize the resulting data by giving the mean, standard deviation, and 95-percent confidence...

Preparation and Characterization of Ato Nanoparticles by Coprecipitation with Modified Drying Method

NASA Astrophysics Data System (ADS)

Liu, Shimin; Liang, Dongdong; Liu, Jindong; Jiang, Weiwei; Liu, Chaoqian; Ding, Wanyu; Wang, Hualin; Wang, Nan

Antimony-doped tin oxide (ATO) nanoparticles were prepared by coprecipitation by packing drying and traditional direct drying (for comparison) methods. The as-prepared ATO nanoparticles were characterized by TG, XRD, EDS, TEM, HRTEM, BET, bulk density and electrical resistivity measurements. Results indicated that the ATO nanoparticles obtained by coprecipitation with direct drying method featured hard-agglomerated morphology, high bulk density, low surface area and low electrical resistivity, probably due to the direct liquid evaporation during drying, the fast shrinkage of the precipitate, the poor removal efficiency of liquid molecules and the hard agglomerate formation after calcination. Very differently, the ATO product obtained by the packing and drying method featured free-agglomerated morphology, low bulk density, high surface area and high electrical resistivity ascribed probably to the formed vapor cyclone environment and liquid evaporation-resistance, avoiding fast liquid removal and improving the removal efficiency of liquid molecules. The intrinsic formation mechanism of ATO nanoparticles from different drying methods was illustrated based on the dehydration process of ATO precipitates. Additionally, the packing and drying time played key roles in determining the bulk density, morphology and electrical conductivity of ATO nanoparticles.

Influence of wood-derived biochar on the compactibility and strength of silt loam soil

NASA Astrophysics Data System (ADS)

Ahmed, Ahmed; Gariepy, Yvan; Raghavan, Vijaya

2017-04-01

Biochar is proven to enhance soil fertility and increase crop productivity. Given that the influence of biochar on soil compaction remains unclear, selected physico-mechanical properties of soil amended with wood-derived biochar were assessed. For unamended silt loam, the bulk density, maximum bulk density, optimum moisture content, plastic limit, liquid limit, and plasticity index were 1.05 Mg m-3, 1.69 Mg m-3, 16.55, 17.1, 29.3, and 12.2%, respectively. The penetration resistance and shear strength of the unamended silt loam compacted in the standard compaction Proctor mold and at its optimum moisture content were 1800 kPa and 850 kPa, respectively. Results from amending the silt loam with 10% particle size ranges (0.5-212 μm) led to relative decreases of 18.1, 17.75, 66.66, and 97.4% in bulk density, maximum bulk density, penetration resistance, and shear strength, respectively; a 26.8% relative increase in optimum moisture content; along with absolute increases in plastic limit, liquid limit, and plasticity index of 5.3, 13.7, and 8.4%, respectively. While the biochar-amended silt loam soil was more susceptible to compaction, however, soil mechanical impedance enhanced.

Measurement of carrier transport and recombination parameter in heavily doped silicon

NASA Technical Reports Server (NTRS)

Swanson, Richard M.

1986-01-01

The minority carrier transport and recombination parameters in heavily doped bulk silicon were measured. Both Si:P and Si:B with bulk dopings from 10 to the 17th and 10 to the 20th power/cu cm were studied. It is shown that three parameters characterize transport in bulk heavily doped Si: the minority carrier lifetime tau, the minority carrier mobility mu, and the equilibrium minority carrier density of n sub 0 and p sub 0 (in p-type and n-type Si respectively.) However, dc current-voltage measurements can never measure all three of these parameters, and some ac or time-transient experiment is required to obtain the values of these parameters as a function of dopant density. Using both dc electrical measurements on bipolar transitors with heavily doped base regions and transients optical measurements on heavily doped bulk and epitaxially grown samples, lifetime, mobility, and bandgap narrowing were measured as a function of both p and n type dopant densities. Best fits of minority carrier mobility, bandgap narrowing and lifetime as a function of doping density (in the heavily doped range) were constructed to allow accurate modeling of minority carrier transport in heavily doped Si.

Determination of element affinities by density fractionation of bulk coal samples

USGS Publications Warehouse

Querol, X.; Klika, Z.; Weiss, Z.; Finkelman, R.B.; Alastuey, A.; Juan, R.; Lopez-Soler, A.; Plana, F.; Kolker, A.; Chenery, S.R.N.

2001-01-01

A review has been made of the various methods of determining major and trace element affinities for different phases, both mineral and organic in coals, citing their various strengths and weaknesses. These include mathematical deconvolution of chemical analyses, direct microanalysis, sequential extraction procedures and density fractionation. A new methodology combining density fractionation with mathematical deconvolution of chemical analyses of whole coals and their density fractions has been evaluated. These coals formed part of the IEA-Coal Research project on the Modes of Occurrence of Trace Elements in Coal. Results were compared to a previously reported sequential extraction methodology and showed good agreement for most elements. For particular elements (Be, Mo, Cu, Se and REEs) in specific coals where disagreement was found, it was concluded that the occurrence of rare trace element bearing phases may account for the discrepancy, and modifications to the general procedure must be made to account for these.

First-principles studies of electronic, transport and bulk properties of pyrite FeS2

NASA Astrophysics Data System (ADS)

Banjara, Dipendra; Malozovsky, Yuriy; Franklin, LaShounda; Bagayoko, Diola

2018-02-01

We present results from first principle, local density approximation (LDA) calculations of electronic, transport, and bulk properties of iron pyrite (FeS2). Our non-relativistic computations employed the Ceperley and Alder LDA potential and the linear combination of atomic orbitals (LCAO) formalism. The implementation of the LCAO formalism followed the Bagayoko, Zhao, and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF). We discuss the electronic energy bands, total and partial densities of states, electron effective masses, and the bulk modulus. Our calculated indirect band gap of 0.959 eV (0.96), using an experimental lattice constant of 5.4166 Å, at room temperature, is in agreement with the measured indirect values, for bulk samples, ranging from 0.84 eV to 1.03 ± 0.05 eV. Our calculated bulk modulus of 147 GPa is practically in agreement with the experimental value of 145 GPa. The calculated, partial densities of states reproduced the splitting of the Fe d bands to constitute the dominant upper most valence and lower most conduction bands, separated by the generally accepted, indirect, experimental band gap of 0.95 eV.

[Study on nano-CaCO3 applicated in Xin Yue Shu Capsules preliminarily].

PubMed

Jiang, Yan-Rong; Zhang, Zhen-Hai; Cui, Li; He, Jun-Jie; Hu, Shao-Ying; Jia, Xiao-Bin

2012-11-01

To investigate the characteristics of nano-CaCO3 applicated in Xin Yue Shu Capsules. Studied the effect of different dosages of aerosil or nano-CaCO3 on fluidity, bulk density, moisture absorption of Xin Yue Shu capsules spray drying powder. In vitro dissolution and ferulic acid stability of Xin Yue Shu capsules was observed. It significantly improved powder fluidity and bulk density of Xin Yue Shu spray drying powder when aerosil or nano-CaCO3 was added. But there was no significant effect on powder moisture absorption, ferulic acid in vitro dissolution and ferulic acid stability. The effect of Nano-CaCO3 on improving powder fluidity and bulk density applicated in the spray drying powder of traditional Chinese medicine deserves studying further.

Impact of roots, mycorrhizas and earthworms on soil physical properties as assessed by shrinkage analysis

NASA Astrophysics Data System (ADS)

Milleret, R.; Le Bayon, R.-C.; Lamy, F.; Gobat, J.-M.; Boivin, P.

2009-07-01

SummarySoil biota such as earthworms, arbuscular mycorrhizal fungi (AMF) and plant roots are known to play a major role in engineering the belowground part of the terrestrial ecosystems, thus strongly influencing the water budget and quality on earth. However, the effect of soil organisms and their interactions on the numerous soil physical properties to be considered are still poorly understood. Shrinkage analysis allows quantifying a large spectrum of soil properties in a single experiment, with small standard errors. The objectives of the present study were, therefore, to assess the ability of the method to quantify changes in soil properties as induced by single or combined effects of leek roots ( Allium porrum), AMF ( Glomus intraradices) and earthworms ( Allolobophora chlorotica). The study was performed on homogenised soil microcosms and the experiments lasted 35 weeks. The volume of the root network and the external fungal hyphae was measured at the end, and undisturbed soil cores were collected. Shrinkage analysis allowed calculating the changes in soil hydro-structural stability, soil plasma and structural pore volumes, soil bulk density and plant available water, and structural pore size distributions. Data analysis revealed different impacts of the experimented soil biota on the soil physical properties. At any water content, the presence of A. chlorotica resulted in a decrease of the specific bulk volume and the hydro-structural stability around 25%, and in a significant increase in the bulk soil density. These changes went with a decrease of the structural pore volumes at any pore size, a disappearing of the thinnest structural pores, a decrease in plant available water, and a hardening of the plasma. On the contrary, leek roots decreased the bulk soil density up to 1.23 g cm -3 despite an initial bulk density of 1.15 g cm -3. This increase in volume was accompanied with a enhanced hydro-structural stability, a larger structural pore volume at any pore size, smaller structural pore radii and an increase in plant available water. Interestingly, a synergistic effect of leek roots and AMF in the absence of the earthworms was highlighted, and this synergistic effect was not observed in presence of earthworms. The structural pore volume generated by root and AMF growth was several orders of magnitude larger than the volume of the organisms. Root exudates as well as other AMF secretion have served as carbon source for bacteria that in turn would enhance soil aggregation and porosity, thus supporting the idea of a self-organization of the soil-plant-microbe complex previously described.

Fracture Toughness Properties of Gd123 Superconducting Bulks

NASA Astrophysics Data System (ADS)

Fujimoto, H.; Murakami, A.

Fracture toughness properties of melt growth GdBa2Cu3Ox (Gd123) large single domain superconducting bulks with Ag2O of 10 wt% and Pt of 0.5 wt%; 45 mm in diameter and 25 mm in thickness with low void density were evaluated at 77 K through flexural tests of specimens cut from the bulks, and compared to those of a conventional Gd123 with voids. The densified Gd123 bulks were prepared with a seeding and temperature gradient method; first melt processed in oxygen, then crystal growth in air; two-step regulated atmosphere heat treatment. The plane strain fracture toughness, KIC was obtained by the three point flexure test of the specimens with through precrack, referring to the single edge pre-cracked beam (SEPB) method, according to the JIS-R-1607, Testing Methods for Fracture Toughness of High Performance Ceramics. The results show that the fracture toughness of the densified Gd123 bulk with low void density was higher than that of the standard Gd123 bulk with voids, as well as the flexural strength previously reported. We also compared the fracture toughness of as-grown bulks with that of annealed bulks. The relation between the microstructure and the fracture toughness of the Gd123 bulk was clearly shown.

Thermal Stability of Metal Nanocrystals: An Investigation of the Surface and Bulk Reconstructions of Pd Concave Icosahedra [On the Thermal Stability of Metal Nanocrystals: An Investigation of the Surface and Bulk Reconstructions of Pd Concave Icosahedra

DOE PAGES

Gilroy, Kyle D.; Elnabawy, Ahmed O.; Yang, Tung -Han; ...

2017-04-27

Despite the remarkable success in controlling the synthesis of metal nanocrystals, it still remains a grand challenge to stabilize and preserve the shapes or internal structures of metastable kinetic products. In this work, we address this issue by systematically investigating the surface and bulk reconstructions experienced by a Pd concave icosahedron when subjected to heating up to 600 °C in vacuum. We used in situ high-resolution transmission electron microscopy to identify the equilibration pathways of this far-from-equilibrium structure. We were able to capture key structural transformations occurring during the thermal annealing process, which were mechanistically rationalized by implementing self-consistent plane-wavemore » density functional theory (DFT) calculations. Specifically, the concave icosahedron was found to evolve into a regular icosahedron via surface reconstruction in the range of 200–400 °C, and then transform into a pseudospherical crystalline structure through bulk reconstruction when further heated to 600 °C. As a result, the mechanistic understanding may lead to the development of strategies for enhancing the thermal stability of metal nanocrystals.« less

A Structural Approach to Establishing a Platform Chemistry for the Tunable, Bulk Electron Beam Cross-Linking of Shape Memory Polymer Systems

PubMed Central

Hearon, Keith; Besset, Celine J.; Lonnecker, Alexander T.; Ware, Taylor; Voit, Walter E.; Wilson, Thomas S.; Wooley, Karen L.; Maitland, Duncan J.

2014-01-01

The synthetic design and thermomechanical characterization of shape memory polymers (SMPs) built from a new polyurethane chemistry that enables facile, bulk and tunable cross-linking of low-molecular weight thermoplastics by electron beam irradiation is reported in this study. SMPs exhibit stimuli-induced geometry changes and are being proposed for applications in numerous fields. We have previously reported a polyurethane SMP system that exhibits the complex processing capabilities of thermoplastic polymers and the mechanical robustness and tunability of thermomechanical properties that are often characteristic of thermoset materials. These previously reported polyurethanes suffer practically because the thermoplastic molecular weights needed to achieve target cross-link densities severely limit high-throughput thermoplastic processing and because thermally unstable radiation-sensitizing additives must be used to achieve high enough cross-link densities to enable desired tunable shape memory behavior. In this study, we demonstrate the ability to manipulate cross-link density in low-molecular weight aliphatic thermoplastic polyurethane SMPs (Mw as low as ~1.5 kDa) without radiation-sensitizing additives by incorporating specific structural motifs into the thermoplastic polymer side chains that we hypothesized would significantly enhance susceptibility to e-beam cross-linking. A custom diol monomer was first synthesized and then implemented in the synthesis of neat thermoplastic polyurethane SMPs that were irradiated at doses ranging from 1 to 500 kGy. Dynamic mechanical analysis (DMA) demonstrated rubbery moduli to be tailorable between 0.1 and 55 MPa, and both DMA and sol/gel analysis results provided fundamental insight into our hypothesized mechanism of electron beam cross-linking, which enables controllable bulk cross-linking to be achieved in highly processable, low-molecular weight thermoplastic shape memory polymers without sensitizing additives. PMID:25411511

Preparation and characterization of starch-based loose-fill packaging foams

NASA Astrophysics Data System (ADS)

Fang, Qi

Regular and waxy corn starches were blended in various ratios with biodegradable polymers including polylactic acid (PLA), Eastar Bio Copolyester 14766 (EBC) and Mater-Bi ZF03U (MBI) and extruded with a C. W. Brabender laboratory twin screw extruder using a 3-mm die nozzle at 150°C and 150 rev/min. Physical characteristics including radial expansion, unit density and bulk density and water solubility index, water absorption characteristics, mechanical properties including compressibility, Young's modulus, spring index, bulk compressibility and bulk spring index and abrasion resistance were investigated as affected by the ingredient formulations, i.e. type of polymers, type of starches, polymer to starch ratio and starch moisture content. A completely randomized factorial blocking experimental design was used. Fifty-four treatments resulted. Each treatment was replicated three times. SAS statistical software package was used to analyze the data. Foams made of waxy starch had better radial expansion, lower unit density and bulk density than did foams made of regular starch. Regular starch foams had significantly lower water solubility index than did the waxy starch foams. PLA-starch foams had the lowest compressibility and Young's modulus. MBI-starch foams were the most rigid. All foams had excellent spring indices and bulk spring indices which were comparable to the spring index of commercial expanded polystyrene foam. Correlations were established between the foam mechanical properties and the physical characteristics. Foam compressibility and Young's modulus decreased as increases in radial expansion and decreases in unit and bulk densities. Their relationships were modeled with power law equations. No correlation was observed between spring index and bulk spring index and foam physical characteristics. MBI-starch foams had the highest equilibrium moisture content. EBC-starch and PLA-starch foams had similar water absorption characteristics. No significant difference existed in water absorption characteristics between foams made of regular and waxy starches. Empirical models were developed to correlate foam water absorption characteristics with relative humidity and polymer content. The developed models fit the data well with relatively small standard errors and uniformly scattered residual plots. Foams with higher polymer content had better abrasion resistance than did foams with lower polymer content.

Bulk density and compaction behavior of knife mill chopped switchgrass,wheat straw, and corn stover

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

Chevanan, Nehru; Womac, A.R.; Bitra, V.S.P.

2009-08-01

Bulk density of comminuted biomass significantly increased by vibration during handling and transportation, and by normal pressure during storage. Compaction characteristics affecting the bulk density of switchgrass, wheat straw, and corn stover chopped in a knife mill at different operating conditions and using four different classifying screens were studied. Mean loose-filled bulk densities were 67.5 18.4 kg/m3 for switchgrass, 36.1 8.6 kg/m3 for wheat straw, and 52.1 10.8 kg/m3 for corn stover. Mean tapped bulk densities were 81.8 26.2 kg/m3 for switchgrass, 42.8 11.7 kg/m3 for wheat straw, and 58.9 13.4 kg/m3 for corn stover. Percentage changes in compressibility duemore » to variation in particle size obtained from a knife mill ranged from 64.3 to 173.6 for chopped switchgrass, 22.2 51.5 for chopped wheat straw and 42.1 117.7 for chopped corn stover within the tested consolidation pressure range of 5 120 kPa. Pressure and volume relationship of chopped biomass during compression with application of normal pressure can be characterized by the Walker model and Kawakita and Ludde model. Parameter of Walker model was correlated to the compressibility with Pearson correlation coefficient greater than 0.9. Relationship between volume reduction in chopped biomass with respect to number of tappings studied using Sone s model indicated that infinite compressibility was highest for chopped switchgrass followed by chopped wheat straw and corn stover. Degree of difficulty in packing measured using the parameters of Sone s model indicated that the chopped wheat straw particles compacted very rapidly by tapping compared to chopped switchgrass and corn stover. These results are very useful for solving obstacles in handling bulk biomass supply logistics issues for a biorefinery.« less

Bulk density and compaction behavior of knife mill chopped switchgrass, wheat straw, and corn stover.

PubMed

Chevanan, Nehru; Womac, Alvin R; Bitra, Venkata S P; Igathinathane, C; Yang, Yuechuan T; Miu, Petre I; Sokhansanj, Shahab

2010-01-01

Bulk density of comminuted biomass significantly increased by vibration during handling and transportation, and by normal pressure during storage. Compaction characteristics affecting the bulk density of switchgrass, wheat straw, and corn stover chopped in a knife mill at different operating conditions and using four different classifying screens were studied. Mean loose-filled bulk densities were 67.5+/-18.4 kg/m(3) for switchgrass, 36.1+/-8.6 kg/m(3) for wheat straw, and 52.1+/-10.8 kg/m(3) for corn stover. Mean tapped bulk densities were 81.8+/-26.2 kg/m(3) for switchgrass, 42.8+/-11.7 kg/m(3) for wheat straw, and 58.9+/-13.4 kg/m(3) for corn stover. Percentage changes in compressibility due to variation in particle size obtained from a knife mill ranged from 64.3 to 173.6 for chopped switchgrass, 22.2-51.5 for chopped wheat straw and 42.1-117.7 for chopped corn stover within the tested consolidation pressure range of 5-120 kPa. Pressure and volume relationship of chopped biomass during compression with application of normal pressure can be characterized by the Walker model and Kawakita and Ludde model. Parameter of Walker model was correlated to the compressibility with Pearson correlation coefficient greater than 0.9. Relationship between volume reduction in chopped biomass with respect to number of tappings studied using Sone's model indicated that infinite compressibility was highest for chopped switchgrass followed by chopped wheat straw and corn stover. Degree of difficulty in packing measured using the parameters of Sone's model indicated that the chopped wheat straw particles compacted very rapidly by tapping compared to chopped switchgrass and corn stover. These results are very useful for solving obstacles in handling bulk biomass supply logistics issues for a biorefinery.

Fuels planning: science synthesis and integration; environmental consequences fact sheet 14: Fuels reduction and compaction

Treesearch

Deborah Page-Dumroese

2005-01-01

Moving equipment and logs over the surface of forest soils causes gouges and ruts in the mineral soil, displaces organic matter, and can cause compaction. Compaction is the component of soil productivity most influenced by forest management, but the degree to which soils may be compacted depends on initial soil bulk density. For example, low bulk density soils (such as...

Establishment and early growth of conifers on compact soils in urban areas

Treesearch

Robert P. Zisa; Howard G. Halverson; Benjamin B. Stout

1979-01-01

A study of pitch pine, Austrian pine, and Norway spruce on two different urban soils compacted to bulk densities of 1.2, 1.3, 1.6, and 1.8 g•cm-3 and maintained at high water potentials showed that all three species could become established from seed at high soil bulk densities. Pitch pine was the most suceessful species in establishment...

Investigation of process and product parameters for physicochemical properties of rice and mung bean (Vigna radiata) flour based extruded snacks.

PubMed

Sharma, Chetan; Singh, Baljit; Hussain, Syed Zameer; Sharma, Savita

2017-05-01

PR 106 and SML 668 cultivars of rice and mung bean respectively, were studied for their potential to serve as a nutritious snack with improved protein quality and quantity. The effect of extrusion conditions, including feed moisture content (14-18%), screw speed (400-550 rpm) and barrel temperature (130-170°C) on the physicochemical properties (bulk density, water absorption index (WAI), water solubility index (WSI) and hardness) was investigated. The replacement of rice flour at 30% level with mung bean flour for making extruded snacks was evaluated. Pasting temperature increased (84-93 °C) while peak viscosity (2768-408 cP), hold viscosity (2018-369 cP), breakdown (750-39 cP), setback (2697-622 cP) and final viscosity (4715-991 cP) decreased with increasing mung bean flour addition. Increasing feed moisture lowered the specific mechanical energy (SME), WAI and WSI of extrudates whereas increased bulk density and hardness. Higher screw speed had linear positive effect on SME of extruder and negative linear effect on WAI. Positive curvilinear quadratic effect of screw speed was also observed on WSI and density. Higher barrel temperature linearly decreased the SME, density and hardness of extrudates. Developed extrusion cooked rice-mung bean snacks with increased protein content and improved protein quality along with higher dietary fibre and minerals have good potential in effectively delivering the nutrition to the population.

How do roll compaction/dry granulation affect the tableting behaviour of inorganic materials? Comparison of four magnesium carbonates.

PubMed

Freitag, Franziska; Kleinebudde, Peter

2003-07-01

The effect of roll compaction/dry granulation on the particle and bulk material characteristics of different magnesium carbonates was evaluated. The flowability of all materials could be improved, even by the application of low specific compaction forces. The tablet properties made of powder and dry granulated magnesium carbonate were compared. Roll compaction/dry granulation resulted in a modified compactibility of the material and, consequently, tablets with reduced tensile strength. The higher relative tap density of the compacted material does not allow a densification to the same extent as the uncompacted powder. The degree of densification during tableting can be expressed as the ratio of the relative tablet density to the relative tap density of the feed material. Increasing the specific compaction forces resulted in higher apparent mean yield pressure, gained from Heckel plots, of all materials analysed. The partial loss of compactibility leads to the demand of low loads during roll compaction. Comparing the tablet properties of different magnesium carbonates reveals an obvious capping disposition. However, it depends on the type of magnesium carbonate, the specific compaction force and also on the tableting force applied.

Sensitivity of simulated snow cloud properties to mass-diameter parameterizations.

NASA Astrophysics Data System (ADS)

Duffy, G.; Nesbitt, S. W.; McFarquhar, G. M.

2015-12-01

Mass to diameter (m-D) relationships are used in model parameterization schemes to represent ice cloud microphysics and in retrievals of bulk cloud properties from remote sensing instruments. One of the most common relationships, used in the current Global Precipitation Measurement retrieval algorithm for example, assigns the density of snow as a constant tenth of the density of ice (0.1g/m^3). This assumption stands in contrast to the results of derived m-D relationships of snow particles, which imply decreasing particle densities at larger sizes and result in particle masses orders of magnitude below the constant density relationship. In this study, forward simulations of bulk cloud properties (e.g., total water content, radar reflectivity and precipitation rate) derived from measured size distributions using several historical m-D relationships are presented. This expands upon previous studies that mainly focused on smaller ice particles because of the examination of precipitation-sized particles here. In situ and remote sensing data from the GPM Cold season Experiment (GCPEx) and Canadian CloudSAT/Calypso Validation Program (C3VP), both synoptic snowstorm field experiments in southern Ontario, Canada, are used to evaluate the forward simulations against total water content measured by the Nevzorov and Cloud Spectrometer and Impactor (CSI) probe, radar reflectivity measured by a C band ground based radar and a nadir pointing Ku/Ka dual frequency airborne radar, and precipitation rate measured by a 2D video disdrometer. There are differences between the bulk cloud properties derived using varying m-D relations, with constant density assumptions producing results differing substantially from the bulk measured quantities. The variability in bulk cloud properties derived using different m-D relations is compared against the natural variability in those parameters seen in the GCPEx and C3VP field experiments.

Superelastic Few-Layer Carbon Foam Made from Natural Cotton for All-Solid-State Electrochemical Capacitors.

PubMed

Lin, Tianquan; Liu, Fengxin; Xu, Feng; Bi, Hui; Du, Yahui; Tang, Yufeng; Huang, Fuqiang

2015-11-18

Flexible/stretchable devices for energy storage are essential for future wearable and flexible electronics. Electrochemical capacitors (ECs) are an important technology for supplement batteries in the energy storage and harvesting field, but they are limited by relatively low energy density. Herein, we report a superelastic foam consisting of few-layer carbon nanowalls made from natural cotton as a good scaffold to growth conductive polymer polyaniline for stretchable, lightweight, and flexible all-solid-state ECs. As-prepared superelastic bulk tubular carbon foam (surface area ∼950 m(2)/g) can withstand >90% repeated compression cycling and support >45,000 times its own weight but no damage. The flexible device has a high specific capacitance of 510 F g(-1), a specific energy of 25.5 Wh kg(-1) and a power density of 28.5 kW kg(-1) in weight of the total electrode materials and withstands 5,000 charging/discharging cycles.

Directing reaction pathways by catalyst active-site selection using self-assembled monolayers.

PubMed

Pang, Simon H; Schoenbaum, Carolyn A; Schwartz, Daniel K; Medlin, J Will

2013-01-01

One key route for controlling reaction selectivity in heterogeneous catalysis is to prepare catalysts that exhibit only specific types of sites required for desired product formation. Here we show that alkanethiolate self-assembled monolayers with varying surface densities can be used to tune selectivity to desired hydrogenation and hydrodeoxygenation products during the reaction of furfural on supported palladium catalysts. Vibrational spectroscopic studies demonstrate that the selectivity improvement is achieved by controlling the availability of specific sites for the hydrogenation of furfural on supported palladium catalysts through the selection of an appropriate alkanethiolate. Increasing self-assembled monolayer density by controlling the steric bulk of the organic tail ligand restricts adsorption on terrace sites and dramatically increases selectivity to desired products furfuryl alcohol and methylfuran. This technique of active-site selection simultaneously serves both to enhance selectivity and provide insight into the reaction mechanism.

Carbon - Bulk Density Relationships for Highly Weathered Soils of the Americas

NASA Astrophysics Data System (ADS)

Nave, L. E.

2014-12-01

Soils are dynamic natural bodies composed of mineral and organic materials. As a result of this mixed composition, essential properties of soils such as their apparent density, organic and mineral contents are typically correlated. Negative relationships between bulk density (Db) and organic matter concentration provide well-known examples across a broad range of soils, and such quantitative relationships among soil properties are useful for a variety of applications. First, gap-filling or data interpolation often are necessary to develop large soil carbon (C) datasets; furthermore, limitations of access to analytical instruments may preclude C determinations for every soil sample. In such cases, equations to derive soil C concentrations from basic measures of soil mass, volume, and density offer significant potential for purposes of soil C stock estimation. To facilitate estimation of soil C stocks on highly weathered soils of the Americas, I used observations from the International Soil Carbon Network (ISCN) database to develop carbon - bulk density prediction equations for Oxisols and Ultisols. Within a small sample set of georeferenced Oxisols (n=89), 29% of the variation in A horizon C concentrations can be predicted from Db. Including the A-horizon sand content improves predictive capacity to 35%. B horizon C concentrations (n=285) were best predicted by Db and clay content, but were more variable than A-horizons (only 10% of variation explained by linear regression). Among Ultisols, a larger sample set allowed investigation of specific horizons of interest. For example, C concentrations of plowed A (Ap) horizons are predictable based on Db, sand and silt contents (n=804, r2=0.38); gleyed argillic (Btg) horizon concentrations are predictable from Db, sand and clay contents (n=190, r2=0.23). Because soil C stock estimates are more sensitive to variation in soil mass and volume determinations than to variation in C concentration, prediction equations such as these may be used on carefully collected samples to constrain soil C stocks. The geo-referenced ISCN database allows users the opportunity to derive similar predictive relationships among measured soil parameters; continued input of new datasets from highly weathered soils of the Americas will improve the precision of these prediction equations.

Bulk density of asteroid 243 Ida from the orbit of its satellite Dactyl

USGS Publications Warehouse

Belton, M.J.S.; Chapmant, C.R.; Thomas, P.C.; Davies, M.E.; Greenberg, R.; Klaasen, K.; Byrnes, D.; D'Amario, L.; Synnott, S.; Johnson, T.V.; McEwen, A.; Merline, W.J.; Davis, D.R.; Petit, J.-M.; Storrs, A.; Veverka, J.; Zellner, B.

1995-01-01

DURING its reconnaissance of the asteroid 243 Ida, the Galileo spacecraft returned images of a second object, 1993(243)1 Dactyl1 - the first confirmed satellite of an asteroid. Sufficient data were obtained on the motion of Dactyl to determine its orbit as a function of Ida's mass. Here we apply statistical and dynamical arguments to constrain the range of possible orbits, and hence the mass of Ida. Combined with the volume of Ida2, this yields a bulk density of 2.6??0.5 g cm-3. Allowing for the uncertainty in the porosity of Ida, this density range is consistent with a bulk chondritic composition, and argues against some (but not all) classes of meteoritic igneous rock types that have been suggested as compositionally representative of S-type asteroids like Ida.

Bulk density of asteroid 243 Ida from the orbit of its satellite Dactyl

USGS Publications Warehouse

Belton, M.J.S.; Chapman, C.R.; Thomas, P.C.; Davies, M.E.; Greenberg, R.; Klaasen, K.; Byrnes, D.; D'Amario, L.; Synnott, S.; Johnson, T.V.; McEwen, A.; Merline, W.J.; Davis, D.R.; Petit, J.-M.; Storrs, A.; Veverka, J.; Zellner, B.

1995-01-01

DURING its reconnaissance of the asteroid 243 Ida, the Galileo spacecraft returned images of a second object, 1993(243)1 Dactyl1 - the first confirmed satellite of an asteroid. Sufficient data were obtained on the motion of Dactyl to determine its orbit as a function of Ida's mass. Here we apply statistical and dynamical arguments to constrain the range of possible orbits, and hence the mass of Ida. Combined with the volume of Ida2, this yields a bulk density of 2.6 ?? 0.5 g cm-3. Allowing for the uncertainty in the porosity of Ida, this density range is consistent with a bulk chon-dritic composition, and argues against some (but not all) classes of meteoritic igneous rock types that have been suggested as compositionally representative of S-type asteroids like Ida. ?? 2002 Nature Publishing Group.

First-principles studies of electronic, transport and bulk properties of pyrite FeS2

NASA Astrophysics Data System (ADS)

Banjara, Dipendra; Mbolle, Augustine; Malozovsky, Yuriy; Franklin, Lashounda; Bagayoko, Diola

We present results of ab-initio, self-consistent density functional theory (DFT) calculations of electronic, transport, and bulk properties of pyrite FeS2. We employed a local density approximation (LDA) potential and the linear combination of atomic orbitals (LCAO) formalism, following the Bagayoko, Zhao and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF). The BZW-EF method requires successive, self consistent calculations with increasing basis sets to reach the ground state of the system under study. We report the band structure, the band gap, total and partial densities of states, effective masses, and the bulk modulus. Work funded in part by the US Department of Energy (DOE), National Nuclear Security Administration (NNSA) (Award No.DE-NA0002630), the National Science Foundation (NSF) (Award No, 1503226), LaSPACE, and LONI-SUBR.

Semiflexible polymers confined in a slit pore with attractive walls: two-dimensional liquid crystalline order versus capillary nematization.

PubMed

Milchev, Andrey; Egorov, Sergei A; Binder, Kurt

2017-03-01

Semiflexible polymers under good solvent conditions interacting with attractive planar surfaces are investigated by Molecular Dynamics (MD) simulations and classical Density Functional Theory (DFT). A bead-spring type potential complemented by a bending potential is used, allowing variation of chain stiffness from completely flexible coils to rod-like polymers whose persistence length by far exceeds their contour length. Solvent is only implicitly included, monomer-monomer interactions being purely repulsive, while two types of attractive wall-monomer interactions are considered: (i) a strongly attractive Mie-type potential, appropriate for a strictly structureless wall, and (ii) a corrugated wall formed by Lennard-Jones particles arranged on a square lattice. It is found that in dilute solutions the former case leads to the formation of a strongly adsorbed surface layer, and the profile of density and orientational order in the z-direction perpendicular to the wall is predicted by DFT in nice agreement with MD. While for very low bulk densities a Kosterlitz-Thouless type transition from the isotropic phase to a phase with power-law decay of nematic correlations is suggested to occur in the strongly adsorbed layer, for larger densities a smectic-C phase in the surface layer is detected. No "capillary nematization" effect at higher bulk densities is found in this system, unlike systems with repulsive walls. This finding is attributed to the reduction of the bulk density (in the center of the slit pore) due to polymer adsorption on the attractive wall, for a system studied in the canonical ensemble. Consequently in a system with two attractive walls nematic order in the slit pore can occur only at a higher density than for a bulk system.

Bulk density and soil resistance to penetration as affected by commercial thinning in northeastern Washington.

Treesearch

Johanna D. Landsberg; Richard E. Miller; Harry W. Anderson; Jeffrey S. Tepp

2003-01-01

Bulk density and soil resistance to penetration were measured in ten, 3- to 11-ha operational units in overstocked, mixed-conifer stands in northeast Washington. Resistance was measured with a recording penetrometer to the 33-cm depth (13 in) at 10 stations on each of 8 to 17, 30.5-m-long, randomly located transects in each unit. Subsequently, different combinations of...

Effect of Alkali Concentration on Fly Ash Geopolymers

NASA Astrophysics Data System (ADS)

Fatimah Azzahran Abdullah, Siti; Yun-Ming, Liew; Bakri, Mohd Mustafa Al; Cheng-Yong, Heah; Zulkifly, Khairunnisa; Hussin, Kamarudin

2018-03-01

This paper presents the effect of NaOH concentration on fly ash geopolymers with compressive up to 56 MPa at 12M. The physical and mechanical on fly ash geopolymer are investigated. Test results show that the compressive strength result complied with bulk density result whereby the higher the bulk density, the higher the strength. Thus, the lower water absorption and porosity due to the increasing of NaOH concentration.

Disruption rates for one vulnerable soil in Organ Pipe Cactus National Monument, Arizona, USA

USGS Publications Warehouse

Webb, Robert H.; Esque, Todd C.; Nussear, Kenneth E.; Sturm, Mark

2013-01-01

Rates of soil disruption from hikers and vehicle traffic are poorly known, particularly for arid landscapes. We conducted an experiment in Organ Pipe Cactus National Monument (ORPI) in western Arizona, USA, on an air-dry very fine sandy loam that is considered to be vulnerable to disruption. We created variable-pass tracks using hikers, an all-terrain vehicle (ATV), and a four-wheel drive vehicle (4WD) and measured changes in cross-track topography, penetration depth, and bulk density. Hikers (one pass = 5 hikers) increased bulk density and altered penetration depth but caused minimal surface disruption up to 100 passes; a minimum of 10 passes were required to overcome surface strength of this dry soil. Both ATV and 4WD traffic significantly disrupted the soil with one pass, creating deep ruts with increasing passes that rendered the 4WD trail impassable after 20 passes. Despite considerable soil loosening (dilation), bulk density increased in the vehicle trails, and lateral displacement created berms of loosened soil. This soil type, when dry, can sustain up to 10 passes of hikers but only one vehicle pass before significant soil disruption occurs; greater disruption is expected when soils are wet. Bulk density increased logarithmically with applied pressure from hikers, ATV, and 4WD.

[Effects of ex situ rice straw incorporation on organic matter content and main physical properties of hilly red soil].

PubMed

Zhu, Han-hua; Huang, Dao-you; Liu, Shou-long; Zhu, Qi-hong

2007-11-01

Two typical land-use types, i.e., newly cultivated slope land and mellow upland, were selected to investigate the effects of ex situ rice straw incorporation on the organic matter content, field water-holding capacity, bulk density, and porosity of hilly red soil, and to approach the correlations between these parameters. The results showed that ex situ incorporation of rice straw increased soil organic matter content, ameliorated soil physical properties, and improved soil water storage. Comparing with non-fertilization and applying chemical fertilizers, ex situ incorporation of rice straw increased the contents of organic matter (5.8%-28.9%) and > 0.25 mm water-stable aggregates in 0-20 cm soil layer, and increased the field water-holding capacity (6.8%-16.2%) and porosity (4.8%-7.7%) significantly (P < 0.05) while decreased the bulk density (4.5%-7.5%) in 10-15 cm soil layer. The organic matter content in 0-20 cm soil layer was significantly correlated to the bulk density, porosity, and field water-holding capacity in 10-15 cm soil layer (P < 0.01), and the field water-holding capacity in 0-20 cm and 10-15 cm soil layers was significantly correlated to the bulk density and porosity in these two layers (P < 0.05).

Natural gas storage with activated carbon from a bituminous coal

USGS Publications Warehouse

Sun, Jielun; Rood, M.J.; Rostam-Abadi, M.; Lizzio, A.A.

1996-01-01

Granular activated carbons ( -20 + 100 mesh; 0.149-0.84 mm) were produced by physical activation and chemical activation with KOH from an Illinois bituminous coal (IBC-106) for natural gas storage. The products were characterized by BET surface area, micropore volume, bulk density, and methane adsorption capacities. Volumetric methane adsorption capacities (Vm/Vs) of some of the granular carbons produced by physical activation are about 70 cm3/cm3 which is comparable to that of BPL, a commercial activated carbon. Vm/Vs values above 100 cm3/cm3 are obtainable by grinding the granular products to - 325 mesh (<0.044 mm). The increase in Vm/Vs is due to the increase in bulk density of the carbons. Volumetric methane adsorption capacity increases with increasing pore surface area and micropore volume when normalizing with respect to sample bulk volume. Compared with steam-activated carbons, granular carbons produced by KOH activation have higher micropore volume and higher methane adsorption capacities (g/g). Their volumetric methane adsorption capacities are lower due to their lower bulk densities. Copyright ?? 1996 Elsevier Science Ltd.

The Development of Expanded Snack Product Made from Pumpkin Flour-Corn Grits: Effect of Extrusion Conditions and Formulations on Physical Characteristics and Microstructure

PubMed Central

Md Nor, Norfezah; Carr, Alistair; Hardacre, Allan; Brennan, Charles S.

2013-01-01

Pumpkin products confer natural sweetness, desirable flavours and β-carotene, a vitamin A precursor when added as ingredients to extruded snacks. Therefore, a potential use for dried pumpkin flour is as an ingredient in ready-to-eat (RTE) snack foods. Growth in this market has driven food manufacturers to produce a variety of new high value snack foods incorporating diverse ingredients to enhance the appearance and nutritional properties of these foods. Ready-to-eat snacks were made by extruding corn grits with 5%, 10%, 15% and 20% of pumpkin flour. Snacks made from 100% corn grits were used as control products for this work. The effect of formulation and screw speeds of 250 rpm and 350 rpm on torque and specific mechanical energy (SME, kWh/kg), physical characteristics (expansion ratio, bulk density, true density and hardness) and the microstructure of the snacks were studied. Increasing the screw speed resulted in a decrease of torque for all formulations. When pumpkin flour was added the specific mechanical energy (SME) decreased by approximately 45%. Increasing the percentage of pumpkin flour at the higher screw speed resulted in a harder texture for the extruded products. X-ray tomography of pumpkin flour-corn grit snacks showed that increased levels of pumpkin flour decreased both the bubble area and bubble size. However, no significant differences (p > 0.05) in bubble wall thickness were measured. By understanding the conditions during extrusion, desirable nutritional characteristics can be incorporated while maximizing expansion to make a product with low bulk density, a fine bubble structure and acceptable organoleptic properties. PMID:28239106

The Development of Expanded Snack Product Made from Pumpkin Flour-Corn Grits: Effect of Extrusion Conditions and Formulations on Physical Characteristics and Microstructure.

PubMed

Nor, Norfezah Md; Carr, Alistair; Hardacre, Allan; Brennan, Charles S

2013-05-14

Pumpkin products confer natural sweetness, desirable flavours and β-carotene, a vitamin A precursor when added as ingredients to extruded snacks. Therefore, a potential use for dried pumpkin flour is as an ingredient in ready-to-eat (RTE) snack foods. Growth in this market has driven food manufacturers to produce a variety of new high value snack foods incorporating diverse ingredients to enhance the appearance and nutritional properties of these foods. Ready-to-eat snacks were made by extruding corn grits with 5%, 10%, 15% and 20% of pumpkin flour. Snacks made from 100% corn grits were used as control products for this work. The effect of formulation and screw speeds of 250 rpm and 350 rpm on torque and specific mechanical energy (SME, kWh/kg), physical characteristics (expansion ratio, bulk density, true density and hardness) and the microstructure of the snacks were studied. Increasing the screw speed resulted in a decrease of torque for all formulations. When pumpkin flour was added the specific mechanical energy (SME) decreased by approximately 45%. Increasing the percentage of pumpkin flour at the higher screw speed resulted in a harder texture for the extruded products. X-ray tomography of pumpkin flour-corn grit snacks showed that increased levels of pumpkin flour decreased both the bubble area and bubble size. However, no significant differences ( p > 0.05) in bubble wall thickness were measured. By understanding the conditions during extrusion, desirable nutritional characteristics can be incorporated while maximizing expansion to make a product with low bulk density, a fine bubble structure and acceptable organoleptic properties.

Use of Ground Penetrating Radar at the FAA's National Airport Pavement Test Facility

NASA Astrophysics Data System (ADS)

Injun, Song

2015-04-01

The Federal Aviation Administration (FAA) in the United States has used a ground-coupled Ground Penetrating Radar (GPR) at the National Airport Pavement Test Facility (NAPTF) since 2005. One of the primary objectives of the testing at the facility is to provide full-scale pavement response and failure information for use in airplane landing gear design and configuration studies. During the traffic testing at the facility, a GSSI GPR system was used to develop new procedures for monitoring Hot Mix Asphalt (HMA) pavement density changes that is directly related to pavement failure. After reviewing current setups for data acquisition software and procedures for identifying different pavement layers, dielectric constant and pavement thickness were selected as dominant parameters controlling HMA properties provided by GPR. A new methodology showing HMA density changes in terms of dielectric constant variations, called dielectric sweep test, was developed and applied in full-scale pavement test. The dielectric constant changes were successfully monitored with increasing airplane traffic numbers. The changes were compared to pavement performance data (permanent deformation). The measured dielectric constants based on the known HMA thicknesses were also compared with computed dielectric constants using an equation from ASTM D4748-98 Standard Test Method for Determining the Thickness of Bound Pavement Layers Using Short-Pulse Radar. Six inches diameter cylindrical cores were taken after construction and traffic testing for the HMA layer bulk specific gravity. The measured bulk specific gravity was also compared to monitor HMA density changes caused by aircraft traffic conditions. Additionally this presentation will review the applications of the FAA's ground-coupled GPR on embedded rebar identification in concrete pavement, sewer pipes in soil, and gage identifications in 3D plots.

Physical properties of the Nankai inner accretionary prism at Site C0002, IODP Expedition 348

NASA Astrophysics Data System (ADS)

Kitamura, Manami; Kitajima, Hiroko; Henry, Pierre; Valdez, Robert; Josh, Matthew

2014-05-01

Integrated Ocean Drilling Program (IODP) Nankai Trough Seismogenic Zone Experiment (NanTroSEIZE) Expedition 348 focused on deepening the existing riser hole at Site C0002 to ~3000 meters below seafloor (mbsf) to access the deep interior of the Miocene inner accretionary prism. This unique tectonic environment, which has never before been sampled in situ by ocean drilling, was characterized through riser drilling, logging while drilling (LWD), mud gas monitoring and sampling, and cuttings and core analysis. Shipboard physical properties measurements including moisture and density (MAD), electrical conductivity, P-wave, natural gamma ray, and magnetic susceptibility measurements were performed mainly on cuttings samples from 870.5 to 3058.5 mbsf, but also on core samples from 2163 and 2204 mbsf. MAD measurements were conducted on seawater-washed cuttings ("bulk cuttings") in two size fractions of >4 mm and 1-4 mm from 870.5 to 3058.5 mbsf, and hand-picked intact cuttings from the >4 mm size fractions within 1222.5-3058.5 mbsf interval. The bulk cuttings show grain density of 2.68 g/cm3 and 2.72 g/cm3, bulk density of 1.9 g/cm3 to 2.2 g/cm3, and porosity of 50% to 32%. Compared to the values on bulk cuttings, the intact cuttings show almost the same grain density (2.66-2.70 g/cm3), but higher bulk density (2.05-2.41 g/cm3) and lower porosity (37-18%), respectively. The grain density agreement suggests that the measurements on both bulk cuttings and intact cuttings are of good quality, and the differences in porosity and density are real, but the values from the bulk cuttings are affected strongly by artifacts of the drilling process. Thus, the bulk density and porosity data on handpicked cuttings are better representative of formation properties. Combined with the MAD measurements on hand-picked intact cuttings and discrete core samples from previous expeditions, porosity generally decreases from ~60% to ~20% from the seafloor to 3000 mbsf at Site C0002. Electrical conductivity and P-wave velocity on discrete samples, which were prepared from both cuttings and core samples in the depth interval of 1745.5-3058.5 mbsf, range 0.15-0.9 S/m and 1.7-4.5 km/s, respectively. The electrical resistivity (a reciprocal of conductivity) on discrete samples is generally higher than the LWD resistivity data but the overall depth trends are similar. On the other hand, the P-wave velocity on discrete samples is lower than the LWD P-wave velocity between 2200 mbsf and 2600 mbsf, while the P-wave velocity on discrete samples and LWD P-wave velocity are in a closer agreement below 2600 mbsf. The electrical conductivity and P-wave velocity on discrete samples corrected for in-situ pressure and temperature will be presented. The shipboard physical properties measurements on cuttings are very limited but can be useful with careful treatment and observation.

Restoring the consistency with the contact density theorem of a classical density functional theory of ions at a planar electrical double layer.

PubMed

Gillespie, Dirk

2014-11-01

Classical density functional theory (DFT) of fluids is a fast and efficient theory to compute the structure of the electrical double layer in the primitive model of ions where ions are modeled as charged, hard spheres in a background dielectric. While the hard-core repulsive component of this ion-ion interaction can be accurately computed using well-established DFTs, the electrostatic component is less accurate. Moreover, many electrostatic functionals fail to satisfy a basic theorem, the contact density theorem, that relates the bulk pressure, surface charge, and ion densities at their distances of closest approach for ions in equilibrium at a smooth, hard, planar wall. One popular electrostatic functional that fails to satisfy the contact density theorem is a perturbation approach developed by Kierlik and Rosinberg [Phys. Rev. A 44, 5025 (1991)PLRAAN1050-294710.1103/PhysRevA.44.5025] and Rosenfeld [J. Chem. Phys. 98, 8126 (1993)JCPSA60021-960610.1063/1.464569], where the full free-energy functional is Taylor-expanded around a bulk (homogeneous) reference fluid. Here, it is shown that this functional fails to satisfy the contact density theorem because it also fails to satisfy the known low-density limit. When the functional is corrected to satisfy this limit, a corrected bulk pressure is derived and it is shown that with this pressure both the contact density theorem and the Gibbs adsorption theorem are satisfied.

Inspection of wood density by spectrophotometry and a diffractive optical element based sensor

NASA Astrophysics Data System (ADS)

Palviainen, Jari; Silvennoinen, Raimo

2001-03-01

Correlation among gravimetric, spectrophotometric and radiographic data from dried wood samples of Scots pine (Pinus sylvestris L) was observed. A diffractive optical element (DOE) based sensor was applied to investigate density variations as well as optical anisotropy inside year rings of the wood samples. The correlation between bulk density of wood and spectrophotometric data (reflectance and transmittance) was investigated for the wavelength range 200-850 nm and the highest correlation was found at wavelengths from 800 to 850 nm. The correlation at this wavelength was smaller than the correlation between bulk density and radiography data. The DOE sensor was found to be capable of sensing anisotropy of the wood samples inside the year ring.

Calculation of density of states of transition metals: From bulk sample to nanocluster

NASA Astrophysics Data System (ADS)

Krasavin, Andrey V.; Borisyuk, Petr V.; Vasiliev, Oleg S.; Zhumagulov, Yaroslav V.; Kashurnikov, Vladimir A.; Kurelchuk, Uliana N.; Lebedinskii, Yuriy Yu.

2018-03-01

A technique is presented of restoring the electronic density of states of the valence band from data of X-ray photoelectron spectroscopy (XPS). The originality of the technique consists in using a stochastic procedure to solve an integral equation relating the density of states and the experimental X-ray photoelectron spectra via the broadening function. To obtain the broadening function, only the XPS spectra of the core levels are needed. The results are presented for bulk sample of gold and tungsten and nanoclusters of tantalum; the possibility of using the results to determine the density of states of low-dimensional structures, including ensembles of metal nanoclusters, is demonstrated.

Bulk substrate porosity verification by applying Monte Carlo modeling and Castaing's formula using energy-dispersive x-rays

NASA Astrophysics Data System (ADS)

Yung, Lai Chin; Fei, Cheong Choke; Mandeep, Jit Singh; Amin, Nowshad; Lai, Khin Wee

2015-11-01

The leadframe fabrication process normally involves additional thin-metal layer plating on the bulk copper substrate surface for wire bonding purposes. Silver, tin, and copper flakes are commonly adopted as plating materials. It is critical to assess the density of the plated metal layer, and in particular to look for porosity or voids underneath the layer, which may reduce the reliability during high-temperature stress. A fast, reliable inspection technique is needed to assess the porosity or void weakness. To this end, the characteristics of x-rays generated from bulk samples were examined using an energy-dispersive x-ray (EDX) detector to examine the porosity percentage. Monte Carlo modeling was integrated with Castaing's formula to verify the integrity of the experimental data. Samples with different porosity percentages were considered to test the correlation between the intensity of the collected x-ray signal and the material density. To further verify the integrity of the model, conventional cross-sectional samples were also taken to observe the porosity percentage using Image J software measurement. A breakthrough in bulk substrate assessment was achieved by applying EDX for the first time to nonelemental analysis. The experimental data showed that the EDX features were not only useful for elemental analysis, but also applicable to thin-film metal layer thickness measurement and bulk material density determination. A detailed experiment was conducted using EDX to assess the plating metal layer and bulk material porosity.

Direct Measurements of Pore Fluid Density by Vibrating Tube Densimetry

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

Gruszkiewicz, Miroslaw S.; Rother, Gernot; Wesolowski, David J.

2012-02-27

The densities of pore-confined fluids were measured for the first time by means of a vibrating tube method. Isotherms of total adsorption capacity were measured directly making the method complementary to the conventional gravimetric or volumetric/piezometric adsorption techniques, which yield the excess adsorption (the Gibbsian surface excess). A custom-made high-pressure, high-temperature vibrating tube densimeter (VTD) was used to measure the densities of subcritical and supercritical propane (between 35 °C and 97 °C) and supercritical carbon dioxide (between 32 C and 50°C) saturating hydrophobic silica aerogel (0.2 g/cm 3, 90% porosity) synthesized inside Hastelloy U-tubes. Additionally, excess adsorption isotherms for supercriticalmore » CO 2 and the same porous solid were measured gravimetrically using a precise magnetically-coupled microbalance. Pore fluid densities and total adsorption isotherms increased monotonically with increasing density of the bulk fluid, in contrast to excess adsorption isotherms, which reached a maximum at a subcritical density of the bulk fluid, and then decreased towards zero or negative values at supercritical densities. Compression of the confined fluid significantly beyond the density of the bulk liquid at the same temperature was observed at subcritical temperatures. The features of the isotherms of confined fluid density are interpreted to elucidate the observed behavior of excess adsorption. The maxima of excess adsorption were found to occur below the critical density of the bulk fluid at the conditions corresponding to the beginning of the plateau of total adsorption, marking the end of the transition of pore fluid to a denser, liquid-like pore phase. The results for propane and carbon dioxide showed similarity in the sense of the principle of corresponding states. No measurable effect of pore confinement on the liquid-vapor critical point was found. Quantitative agreement was obtained between excess adsorption isotherms determined from VTD total adsorption results and those measured gravimetrically at the same temperature, confirming the validity of the vibrating tube measurements. Vibrating tube densimetry was demonstrated as a novel experimental approach capable of providing the average density of pore-confined fluids.« less

Mercury and trace element distribution in density separates of a South African Highveld (#4) coal: Implications for mercury reduction and preparation of export coal

USGS Publications Warehouse

Kolker, Allan; Senior, Connie L.; van Alphen, Chris; Koenig, Alan E.; Geboy, Nicholas J.

2017-01-01

Eight density separates of Permian Highveld (#4) coal were investigated for partitioning of Hg and trace elements. The separates include float fractions obtained in heavy media having densities of 1.4, 1.5, 1.6, 1.7, 1.8, 1.9, and 2.0 g/cm3, and the sink fraction for 2.0 g/cm3. Bulk analysis of the separates shows strong (R2 ≥ 0.80) positive correlations between pyritic sulfur and mercury, and between ash yield and both pyritic sulfur and mercury. Laser ablation (LA) ICP-MS analysis of individual pyrite grains in the separates confirms association of Hg and As with pyrite as indicated by bulk analysis. Other elements detected in pyrite by LA-ICP-MS include Mn, Co, Ni, Tl, and Pb. Results for the separates allow prediction of Hg, trace elements, and ash yields expected in specific South African coal products. These range from 0.06 ppm Hg and an ash yield of 11.5% ash for the export fraction to 0.47 ppm Hg and an ash yield of 60.9% for the discard (stone) fraction (dry basis). Results show pronounced differences expected between coal used for domestic power generation and coal which is exported.

Infrared spectroscopy and density functional theory investigation of calcite, chalk, and coccoliths--do we observe the mineral surface?

PubMed

Andersson, M P; Hem, C P; Schultz, L N; Nielsen, J W; Pedersen, C S; Sand, K K; Okhrimenko, D V; Johnsson, A; Stipp, S L S

2014-11-13

We have measured infrared spectra from several types of calcite: chalk, freshly cultured coccoliths produced by three species of algae, natural calcite (Iceland Spar), and two types of synthetic calcite. The most intense infrared band, the asymmetric carbonate stretch vibration, is clearly asymmetric for the coccoliths and the synthetic calcite prepared using the carbonation method. It can be very well fitted by two peaks: a narrow Lorenzian at lower frequency and a broader Gaussian at higher frequency. These two samples both have a high specific surface area. Density functional theory for bulk calcite and several calcite surface systems allows for assignment of the infrared bands. The two peaks that make up the asymmetric carbonate stretch band come from the bulk (narrow Lorenzian) and from a combination of two effects (broad Gaussian): the surface or near surface of calcite and line broadening from macroscopic dielectric effects. We detect water adsorbed on the high surface area synthetic calcite, which permits observation of the chemistry of thin liquid films on calcite using transmission infrared spectroscopy. The combination of infrared spectroscopy and density functional theory also allowed us to quantify the amount of polysaccharides associated with the coccoliths. The amount of polysaccharides left in chalk, demonstrated to be present in other work, is below the IR detection limit, which is 0.5% by mass.

Nondestructive Measurement of the Evolution of Layer-Specific Mechanical Properties in Sub-10 nm Bilayer Films.

PubMed

Hoogeboom-Pot, Kathleen M; Turgut, Emrah; Hernandez-Charpak, Jorge N; Shaw, Justin M; Kapteyn, Henry C; Murnane, Margaret M; Nardi, Damiano

2016-08-10

We use short wavelength extreme ultraviolet light to independently measure the mechanical properties of disparate layers within a bilayer film for the first time, with single-monolayer sensitivity. We show that in Ni/Ta nanostructured systems, while their density ratio is not meaningfully changed from that expected in bulk, their elastic properties are significantly modified, where nickel softens while tantalum stiffens, relative to their bulk counterparts. In particular, the presence or absence of the Ta capping layer influences the mechanical properties of the Ni film. This nondestructive nanomechanical measurement technique represents the first approach to date able to distinguish the properties of composite materials well below 100 nm in thickness. This capability is critical for understanding and optimizing the strength, flexibility and reliability of materials in a host of nanostructured electronic, photovoltaic, and thermoelectric devices.

Selective heteroepitaxy on deeply grooved substrate: A route to low cost semipolar GaN platforms of bulk quality

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

Tendille, Florian, E-mail: florian.tendille@crhea.cnrs.fr; Vennéguès, Philippe; De Mierry, Philippe

2016-08-22

Semipolar GaN crystal stripes larger than 100 μm with dislocation densities below 5 × 10{sup 6} cm{sup −2} are achieved using a low cost fabrication process. An original sapphire patterning procedure is proposed, enabling selective growth of semipolar oriented GaN stripes while confining the defects to specific areas. Radiative and non-radiative crystalline defects are investigated by cathodoluminescence and can be correlated to the development of crystal microstructure during the growth process. A dislocation reduction mechanism, supported by transmission electron microscopy, is proposed. This method represents a step forward toward low-cost quasi-bulk semipolar GaN epitaxial platforms with an excellent structural quality which will allowmore » for even more efficient III-nitride based devices.« less

Accurate bulk density determination of irregularly shaped translucent and opaque aerogels

NASA Astrophysics Data System (ADS)

Petkov, M. P.; Jones, S. M.

2016-05-01

We present a volumetric method for accurate determination of bulk density of aerogels, calculated from extrapolated weight of the dry pure solid and volume estimates based on the Archimedes' principle of volume displacement, using packed 100 μm-sized monodispersed glass spheres as a "quasi-fluid" media. Hard particle packing theory is invoked to demonstrate the reproducibility of the apparent density of the quasi-fluid. Accuracy rivaling that of the refractive index method is demonstrated for both translucent and opaque aerogels with different absorptive properties, as well as for aerogels with regular and irregular shapes.

Trapping effects in irradiated and avalanche-injected MOS capacitors

NASA Technical Reports Server (NTRS)

Bakowski, M.; Cockrum, R. H.; Zamani, N.; Maserjian, J.; Viswanathan, C. R.

1978-01-01

The trapping parameters for holes, and for electrons in the presence of trapped holes, have been measured from a set of wafers with different oxide thickness processed under controlled conditions. The trap cross-sections and densities indicate at least three trap species, including an interfacial species, a dominant bulk species which is determined to tail off from the silicon interface, and a third, lower density bulk species that is distributed throughout the oxide.

The Cassie-Wenzel transition of fluids on nanostructured substrates: Macroscopic force balance versus microscopic density-functional theory.

PubMed

Tretyakov, Nikita; Papadopoulos, Periklis; Vollmer, Doris; Butt, Hans-Jürgen; Dünweg, Burkhard; Daoulas, Kostas Ch

2016-10-07

Classical density functional theory is applied to investigate the validity of a phenomenological force-balance description of the stability of the Cassie state of liquids on substrates with nanoscale corrugation. A bulk free-energy functional of third order in local density is combined with a square-gradient term, describing the liquid-vapor interface. The bulk free energy is parameterized to reproduce the liquid density and the compressibility of water. The square-gradient term is adjusted to model the width of the water-vapor interface. The substrate is modeled by an external potential, based upon the Lennard-Jones interactions. The three-dimensional calculation focuses on substrates patterned with nanostripes and square-shaped nanopillars. Using both the force-balance relation and density-functional theory, we locate the Cassie-to-Wenzel transition as a function of the corrugation parameters. We demonstrate that the force-balance relation gives a qualitatively reasonable description of the transition even on the nanoscale. The force balance utilizes an effective contact angle between the fluid and the vertical wall of the corrugation to parameterize the impalement pressure. This effective angle is found to have values smaller than the Young contact angle. This observation corresponds to an impalement pressure that is smaller than the value predicted by macroscopic theory. Therefore, this effective angle embodies effects specific to nanoscopically corrugated surfaces, including the finite range of the liquid-solid potential (which has both repulsive and attractive parts), line tension, and the finite interface thickness. Consistently with this picture, both patterns (stripes and pillars) yield the same effective contact angles for large periods of corrugation.

Implications of the observed Pluto-Charon density contrast

NASA Astrophysics Data System (ADS)

Bierson, C. J.; Nimmo, F.; McKinnon, W. B.

2018-07-01

Observations by the New Horizons spacecraft have determined that Pluto has a larger bulk density than Charon by 153 ± 44 kg m-3 (2σ uncertainty). We use a thermal model of Pluto and Charon to determine if this density contrast could be due to porosity variations alone, with Pluto and Charon having the same bulk composition. We find that Charon can preserve a larger porous ice layer than Pluto due to its lower gravity and lower heat flux but that the density contrast can only be explained if the initial ice porosity is ≳ 30%, extends to ≳100 km depth and Pluto retains a subsurface ocean today. We also find that other processes such as a modern ocean on Pluto, self-compression, water-rock interactions, and volatile (e.g., CO) loss cannot, even in combination, explain this difference in density. Although an initially high porosity cannot be completely ruled out, we conclude that it is more probable that Pluto and Charon have different bulk compositions. This difference could arise either from forming Charon via a giant impact, or via preferential loss of H2O on Pluto due to heating during rapid accretion.

Doping induced carrier and band-gap modulation in bulk versus nano for topological insulators: A test case of Stibnite

NASA Astrophysics Data System (ADS)

Maji, Tuhin Kumar; Pal, Samir Kumar; Karmakar, Debjani

2018-04-01

We aim at comparing the electronic properties of topological insulator Sb2S3 in bulk and Nanorod using density-functional scheme and investigating the effects of Se-doping at chalcogen-site. While going from bulk to nano, there is a drastic change in the band gap due to surface-induced strain. However, the trend of band gap modulation with increased Se doping is more prominent in bulk. Interestingly, Se-doping introduces different type of carriers in bulk and nano.

Al-Air Batteries: Fundamental Thermodynamic Limitations from First-Principles Theory.

PubMed

Chen, Leanne D; Nørskov, Jens K; Luntz, Alan C

2015-01-02

The Al-air battery possesses high theoretical specific energy (4140 W h/kg) and is therefore an attractive candidate for vehicle propulsion. However, the experimentally observed open-circuit potential is much lower than what bulk thermodynamics predicts, and this potential loss is typically attributed to corrosion. Similarly, large Tafel slopes associated with the battery are assumed to be due to film formation. We present a detailed thermodynamic study of the Al-air battery using density functional theory. The results suggest that the maximum open-circuit potential of the Al anode is only -1.87 V versus the standard hydrogen electrode at pH 14.6 instead of the traditionally assumed -2.34 V and that large Tafel slopes are inherent in the electrochemistry. These deviations from the bulk thermodynamics are intrinsic to the electrochemical surface processes that define Al anodic dissolution. This has contributions from both asymmetry in multielectron transfers and, more importantly, a large chemical stabilization inherent to the formation of bulk Al(OH)3 from surface intermediates. These are fundamental limitations that cannot be improved even if corrosion and film effects are completely suppressed.

Producing Magnesium Metallic Glass By Disintegrated Melt Deposition

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

Shanthi, M.; Dept. of Mechanical Engineering, National University of Singapore, Singapore 117576; Gupta, M.

Bulk metallic glasses are new class of engineering materials that exhibit high resistance to crystallization in the under cooled liquid state. The development of bulk metallic glasses of thickness 1cm or less has opened new doors for fundamental studies of both liquid state and glass transition previously not feasible in metallic materials. Moreover, bulk metallic glasses exhibit superior hardness, strength, specific strength, and elastic strain limit, along with good corrosion and wear resistance. Thus they are potential candidates in various sports, structural, engineering and medical applications. Among several BMGs investigated, magnesium-based BMGs have attracted considerable attention because of their lowmore » density and superior mechanical properties. The major drawback of this magnesium based BMGs is poor ductility. This can be overcome by the addition of ductile particles/reinforcement to the matrix. In this study, a new technique named disintegrated melt deposition technique was used to synthesize magnesium based BMGs. Rods of different sizes are cast using the current method. Mechanical characterization studies revealed that the amorphous rods produced by the current technique showed superior mechanical properties.« less

Producing Magnesium Metallic Glass By Disintegrated Melt Deposition

NASA Astrophysics Data System (ADS)

Shanthi, M.; Gupta, M.; Jarfors, A. E. W.; Tan, M. J.

2011-01-01

Bulk metallic glasses are new class of engineering materials that exhibit high resistance to crystallization in the under cooled liquid state. The development of bulk metallic glasses of thickness 1cm or less has opened new doors for fundamental studies of both liquid state and glass transition previously not feasible in metallic materials. Moreover, bulk metallic glasses exhibit superior hardness, strength, specific strength, and elastic strain limit, along with good corrosion and wear resistance. Thus they are potential candidates in various sports, structural, engineering and medical applications. Among several BMGs investigated, magnesium-based BMGs have attracted considerable attention because of their low density and superior mechanical properties. The major drawback of this magnesium based BMGs is poor ductility. This can be overcome by the addition of ductile particles/reinforcement to the matrix. In this study, a new technique named disintegrated melt deposition technique was used to synthesize magnesium based BMGs. Rods of different sizes are cast using the current method. Mechanical characterization studies revealed that the amorphous rods produced by the current technique showed superior mechanical properties.

Atomistic theory for the damping of vibrational modes in monoatomic gold chains

NASA Astrophysics Data System (ADS)

Engelund, M.; Brandbyge, M.; Jauho, A. P.

2009-07-01

We develop a computational method for evaluating the damping of vibrational modes in monatomic metallic chains suspended between bulk crystals under external strain. The damping is due to the coupling between the chain and contact modes and the phonons in the bulk substrates. The geometry of the atoms forming the contact is taken into account. The dynamical matrix is computed with density-functional theory in the atomic chain and the contacts using finite atomic displacements while an empirical method is employed for the bulk substrate. As a specific example, we present results for the experimentally realized case of gold chains in two different crystallographic directions. The range of the computed damping rates confirms the estimates obtained by fits to experimental data [T. Frederiksen , Phys. Rev. B 75, 205413 (2007)]. Our method indicates that an order-of-magnitude variation in the harmonic damping is possible even for relatively small changes in the strain. Such detailed insight is necessary for a quantitative analysis of damping in metallic atomic chains and in explaining the rich phenomenology seen in the experiments.

Superconductivity in doped Dirac semimetals

NASA Astrophysics Data System (ADS)

Hashimoto, Tatsuki; Kobayashi, Shingo; Tanaka, Yukio; Sato, Masatoshi

2016-07-01

We theoretically study intrinsic superconductivity in doped Dirac semimetals. Dirac semimetals host bulk Dirac points, which are formed by doubly degenerate bands, so the Hamiltonian is described by a 4 ×4 matrix and six types of k -independent pair potentials are allowed by the Fermi-Dirac statistics. We show that the unique spin-orbit coupling leads to characteristic superconducting gap structures and d vectors on the Fermi surface and the electron-electron interaction between intra and interorbitals gives a novel phase diagram of superconductivity. It is found that when the interorbital attraction is dominant, an unconventional superconducting state with point nodes appears. To verify the experimental signature of possible superconducting states, we calculate the temperature dependence of bulk physical properties such as electronic specific heat and spin susceptibility and surface state. In the unconventional superconducting phase, either dispersive or flat Andreev bound states appear between point nodes, which leads to double peaks or a single peak in the surface density of states, respectively. As a result, possible superconducting states can be distinguished by combining bulk and surface measurements.

Effect of age-dependent bone electron density on the calculated dose distribution from kilovoltage and megavoltage photon and electron radiotherapy in paediatric MRI-only treatment planning.

PubMed

Zeinali-Rafsanjani, B; Faghihi, R; Mosleh-Shirazi, M A; Saeedi-Moghadam, M; Jalli, R; Sina, S

2018-01-01

MRI-only treatment planning (TP) can be advantageous in paediatric radiotherapy. However, electron density extraction is necessary for dose calculation. Normally, after bone segmentation, a bulk density is assigned. However, the variation of bone bulk density in patients makes the creation of pseudo CTs challenging. This study aims to assess the effects of bone density variations in children on radiation attenuation and dose calculation for MRI-only TP. Bone contents of <15-year-old children were calculated, and substituted in the Oak Ridge National Laboratory paediatric phantoms. The percentage depth dose and beam profile of 150 kVp and 6 MV photon and 6 MeV electron beams were then calculated using Xcom, MCNPX (Monte Carlo N-particle version X) and ORLN phantoms. Using 150 kVp X-rays, the difference in attenuation coefficient was almost 5% between an 11-year-old child and a newborn, and ~8% between an adult and a newborn. With megavoltage radiation, the differences were smaller but still important. For an 18 MV photon beam, the difference of radiation attenuation between an 11-year-old child and a newborn was 4% and ~7.4% between an adult and a newborn. For 6 MeV electrons, dose differences were observed up to the 2 cm depth. The percentage depth dose difference between 1 and 10-year-olds was 18.5%, and between 10 and 15-year-olds was 24%. The results suggest that for MRI-only TP of photon- or electron-beam radiotherapy, the bone densities of each age group should be defined separately for accurate dose calculation. Advances in knowledge: This study highlights the need for more age-specific determination of bone electron density for accurate dose calculations in paediatric MRI-only radiotherapy TP.

Estimation of Forest Fuel Load from Radar Remote Sensing

NASA Technical Reports Server (NTRS)

Saatchi, Sassan; Despain, Don G.; Halligan, Kerry; Crabtree, Robert

2007-01-01

Understanding fire behavior characteristics and planning for fire management require maps showing the distribution of wildfire fuel loads at medium to fine spatial resolution across large landscapes. Radar sensors from airborne or spaceborne platforms have the potential of providing quantitative information about the forest structure and biomass components that can be readily translated to meaningful fuel load estimates for fire management. In this paper, we used multifrequency polarimetric synthetic aperture radar imagery acquired over a large area of the Yellowstone National Park (YNP) by the AIRSAR sensor, to estimate the distribution of forest biomass and canopy fuel loads. Semi-empirical algorithms were developed to estimate crown and stem biomass and three major fuel load parameters, canopy fuel weight, canopy bulk density, and foliage moisture content. These estimates when compared directly to measurements made at plot and stand levels, provided more than 70% accuracy, and when partitioned into fuel load classes, provided more than 85% accuracy. Specifically, the radar generated fuel parameters were in good agreement with the field-based fuel measurements, resulting in coefficients of determination of R(sup 2) = 85 for the canopy fuel weight, R(sup 2)=.84 for canopy bulk density and R(sup 2) = 0.78 for the foliage biomass.

Role of Spatial Ionic Distribution on the Energetics of Hydrophobic Assembly and Properties of the Water/Hydrophobe Interface†

PubMed Central

Bauer, Brad A.; Ou, Shuching; Patel, Sandeep

2014-01-01

We present results from all-atom molecular dynamics simulations of large-scale hydrophobic plates solvated in NaCl and NaI salt solutions. As observed in studies of ions at the air-water interface, the density of iodide near the water-plate interface is significantly enhanced relative to chloride and in the bulk. This allows for the partial hydration of iodide while chloride remains more fully hydrated. In 1M solutions, iodide directly pushes the hydrophobes together (contributing −2.51 kcal/mol) to the PMF. Chloride, however, strengthens the water-induced contribution to the PMF by ~ −2.84 kcal/mol. These observations are enhanced in 3M solutions, consistent with the increased ion density in the vicinity of the hydrophobes. The different salt solutions influence changes in the critical hydrophobe separation distance and characteristic wetting/dewetting transitions. These differences are largely influenced by the ion-specific expulsion of iodide from bulk water. Results of this study are of general interest to the study of ions at interfaces and may lend insight to the mechanisms underlying the Hofmeister series. PMID:22231014

The solvent component of macromolecular crystals

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

Weichenberger, Christian X.; Afonine, Pavel V.; Kantardjieff, Katherine

2015-04-30

On average, the mother liquor or solvent and its constituents occupy about 50% of a macromolecular crystal. Ordered as well as disordered solvent components need to be accurately accounted for in modelling and refinement, often with considerable complexity. The mother liquor from which a biomolecular crystal is grown will contain water, buffer molecules, native ligands and cofactors, crystallization precipitants and additives, various metal ions, and often small-molecule ligands or inhibitors. On average, about half the volume of a biomolecular crystal consists of this mother liquor, whose components form the disordered bulk solvent. Its scattering contributions can be exploited in initialmore » phasing and must be included in crystal structure refinement as a bulk-solvent model. Concomitantly, distinct electron density originating from ordered solvent components must be correctly identified and represented as part of the atomic crystal structure model. Herein, are reviewed (i) probabilistic bulk-solvent content estimates, (ii) the use of bulk-solvent density modification in phase improvement, (iii) bulk-solvent models and refinement of bulk-solvent contributions and (iv) modelling and validation of ordered solvent constituents. A brief summary is provided of current tools for bulk-solvent analysis and refinement, as well as of modelling, refinement and analysis of ordered solvent components, including small-molecule ligands.« less

Microwave dielectric spectrum of rocks

NASA Technical Reports Server (NTRS)

Ulaby, F. T.; Bengal, T.; East, J.; Dobson, M. C.; Garvin, J.; Evans, D.

1988-01-01

A combination of several measurement techniques was used to investigate the dielectric properties of 80 rock samples in the microwave region. The real part of the dielectric constant, epsilon', was measured in 0.1 GHz steps from 0.5 to 18 GHz, and the imaginary part, epsilon'', was measured at five frequencies extending between 1.6 and 16 GHz. In addition to the dielectric measurements, the bulk density was measured for all the samples and the bulk chemical composition was determined for 56 of the samples. The study shows that epsilon' is frequency-dependent over the 0.5 to 18 GHz range for all rock samples, and that the bulk density rho accounts for about 50 percent of the observed variance of epsilon'. For individual rock types (by genesis), about 90 percent of the observed variance may be explained by the combination of density and the fractional contents of SiO2, Fe2O3, MgO, and TiO2. For the loss factor epsilon'', it was not possible to establish statistically significant relationships between it and the measured properties of the rock samples (density and chemical composition).

A High Power Density Single-Phase PWM Rectifier With Active Ripple Energy Storage

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

Wang, Ruxi; Wang, Fei; Boroyevich, Dushan

It is well known that single-phase pulse width modulation rectifiers have second-order harmonic currents and corresponding ripple voltages on the dc bus. The low-frequency harmonic current is normally filtered using a bulk capacitor in the bus, which results in low power density. However, pursuing high power density in converter design is a very important goal in the aerospace applications. This paper studies methods for reducing the energy storage capacitor for single-phase rectifiers. The minimum ripple energy storage requirement is derived independently of a specific topology. Based on theminimum ripple energy requirement, the feasibility of the active capacitor s reduction schemesmore » is verified. Then, we propose a bidirectional buck boost converter as the ripple energy storage circuit, which can effectively reduce the energy storage capacitance. The analysis and design are validated by simulation and experimental results.« less

Bulk specific gravity round-robin using the Corelok vacuum sealing device

DOT National Transportation Integrated Search

2002-11-01

This project conducted an evaluation of the Corelok device for the determination of the bulk specific gravity of compacted hot mix asphalt samples. The project consisted of the bulk specific gravity determination for compacted HMA mixes utilizing the...

Impacts of harvesting and postharvest treatments on soil bulk density, soil strength, and ealry growth of Pinus taeda in the Gulf Coastal Plain: a long-term soil productivity affiliated study

Treesearch

Mason C. Carter; Thomas J. Dean; Ziyin Wang; Ray A. Newbold

2006-01-01

At four sites in the Gulf Coastal Plain, mechanical whole-tree harvesting (MWT) removed from biomass and nutrients than hand-fell bole-only harvesting (HFBO). Soil compaction and loblolly pine (Pinus taeda L.) regeneration growth varied among sites. At one location, MWT increased soil bulk density by 0.1 Mgm-3, from 1.14 to 1....

Spherical nitroguanidine process

DOEpatents

Sanchez, John A.; Roemer, Edward L.; Stretz, Lawrence A.

1990-01-01

A process of preparing spherical high bulk density nitroguanidine by dissing low bulk density nitroguanidine in N-methyl pyrrolidone at elevated temperatures and then cooling the solution to lower temperatures as a liquid characterized as a nonsolvent for the nitroguanidine is provided. The process is enhanced by inclusion in the solution of from about 1 ppm up to about 250 ppm of a metal salt such as nickel nitrate, zinc nitrate or chromium nitrate, preferably from about 20 to about 50 ppm.

Effect of implanted Cu/low-density polyethylene nanocomposite on the morphology of endometrium in the mouse.

PubMed

Xia, Xianping; Xie, Changsheng; Zhu, Changhong; Cai, Shuizhou; Yang, Xiangliang

2007-08-01

To investigate the damage of endometrium caused by the implanted Cu/low-density polyethylene (LDPE) nanocomposite and the contraceptive effect of this novel copper-containing intrauterine device material. Experimental animal study. TongJi Medical College of Huazhong University of Science and Technology. Sixty healthy female mice. Twenty mice received no implants, 20 mice received the Cu/LDPE nanocomposite, and 20 mice received bulk copper. Morphologic features of the endometrium, contraceptive effect, and surface condition of the implanted implants. The contraceptive effect of both the Cu/LDPE nanocomposite and bulk copper is 100%, the damage of the endometrium caused by the Cu/LDPE nanocomposite is much less than that caused by bulk copper, and the surface of the implanted Cu/LDPE nanocomposite is much smoother and much softer than that of the implanted bulk copper. The contraceptive effect of the Cu/LDPE nanocomposite is comparable with that of bulk copper, and the damage of the endometrium caused by the Cu/LDPE nanocomposite is much less than that caused by bulk copper. The endometrium injury is related to the surface condition of the implanted intrauterine device material.

A low-dimensional analogue of holographic baryons

NASA Astrophysics Data System (ADS)

Bolognesi, Stefano; Sutcliffe, Paul

2014-04-01

Baryons in holographic QCD correspond to topological solitons in the bulk. The most prominent example is the Sakai-Sugimoto model, where the bulk soliton in the five-dimensional spacetime of AdS-type can be approximated by the flat space self-dual Yang-Mills instanton with a small size. Recently, the validity of this approximation has been verified by comparison with the numerical field theory solution. However, multi-solitons and solitons with finite density are currently beyond numerical field theory computations. Various approximations have been applied to investigate these important issues and have led to proposals for finite density configurations that include dyonic salt and baryonic popcorn. Here we introduce and investigate a low-dimensional analogue of the Sakai-Sugimoto model, in which the bulk soliton can be approximated by a flat space sigma model instanton. The bulk theory is a baby Skyrme model in a three-dimensional spacetime with negative curvature. The advantage of the lower-dimensional theory is that numerical simulations of multi-solitons and finite density solutions can be performed and compared with flat space instanton approximations. In particular, analogues of dyonic salt and baryonic popcorn configurations are found and analysed.

Development of interface-dominant bulk Cu/V nanolamellar composites by cross accumulative roll bonding

PubMed Central

Zeng, L. F.; Gao, R.; Xie, Z. M.; Miao, S.; Fang, Q. F.; Wang, X. P.; Zhang, T.; Liu, C. S.

2017-01-01

Traditional nanostructured metals are inherently comprised of a high density of high-energy interfaces that make this class of materials not stable in extreme conditions. Therefore, high performance bulk nanostructured metals containing stable interfaces are highly desirable for extreme environments applications. Here, we reported an attractive bulk Cu/V nanolamellar composite that was successfully developed by integrating interface engineering and severe plastic deformation techniques. The layered morphology and ordered Cu/V interfaces remained stable with respect to continued rolling (total strain exceeding 12). Most importantly, for layer thickness of 25 nm, this bulk Cu/V nanocomposite simultaneously achieves high strength (hardness of 3.68 GPa) and outstanding thermal stability (up to 700 °C), which are quite difficult to realize simultaneously in traditional nanostructured materials. Such extraordinary property in our Cu/V nanocomposite is achieved via an extreme rolling process that creates extremely high density of stable Cu/V heterophase interfaces and low density of unstable grain boundaries. In addition, high temperature annealing result illustrates that Rayleigh instability is the dominant mechanism driving the onset of thermal instability after exposure to 800 °C. PMID:28094346

3D-Laser-Scanning Technique Applied to Bulk Density Measurements of Apollo Lunar Samples

NASA Technical Reports Server (NTRS)

Macke, R. J.; Kent, J. J.; Kiefer, W. S.; Britt, D. T.

2015-01-01

In order to better interpret gravimetric data from orbiters such as GRAIL and LRO to understand the subsurface composition and structure of the lunar crust, it is import to have a reliable database of the density and porosity of lunar materials. To this end, we have been surveying these physical properties in both lunar meteorites and Apollo lunar samples. To measure porosity, both grain density and bulk density are required. For bulk density, our group has historically utilized sub-mm bead immersion techniques extensively, though several factors have made this technique problematic for our work with Apollo samples. Samples allocated for measurement are often smaller than optimal for the technique, leading to large error bars. Also, for some samples we were required to use pure alumina beads instead of our usual glass beads. The alumina beads were subject to undesirable static effects, producing unreliable results. Other investigators have tested the use of 3d laser scanners on meteorites for measuring bulk volumes. Early work, though promising, was plagued with difficulties including poor response on dark or reflective surfaces, difficulty reproducing sharp edges, and large processing time for producing shape models. Due to progress in technology, however, laser scanners have improved considerably in recent years. We tested this technique on 27 lunar samples in the Apollo collection using a scanner at NASA Johnson Space Center. We found it to be reliable and more precise than beads, with the added benefit that it involves no direct contact with the sample, enabling the study of particularly friable samples for which bead immersion is not possible

High density crystalline boron prepared by hot isostatic pressing in refractory metal containers

DOEpatents

Hoenig, C.L.

1993-08-31

Boron powder is hot isostatically pressed in a refractory metal container to produce a solid boron monolith with a bulk density at least 2.22 g/cc and up to or greater than 2.34 g/cc. The refractory metal container is formed of tantalum, niobium, tungsten, molybdenum or alloys thereof in the form of a canister or alternatively plasma sprayed or chemical vapor deposited onto a powder compact. Hot isostatic pressing at 1,800 C and 30 PSI (206.8 MPa) argon pressure for four hours produces a bulk density of 2.34 g/cc. Complex shapes can be made.

High density crystalline boron prepared by hot isostatic pressing in refractory metal containers

DOEpatents

Hoenig, Clarence L.

1993-01-01

Boron powder is hot isostatically pressed in a refractory metal container to produce a solid boron monolith with a bulk density at least 2.22 g/cc and up to or greater than 2.34 g/cc. The refractory metal container is formed of tantalum, niobium, tungsten, molybdenum or alloys thereof in the form of a canister or alternatively plasma sprayed or chemical vapor deposited onto a powder compact. Hot isostatic pressing at 1800.degree. C. and 30 KSI (206.8 MPa) argon pressure for four hours produces a bulk density of 2.34 g/cc. Complex shapes can be made.

High density-high purity graphite prepared by hot isostatic pressing in refractory metal containers

DOEpatents

Hoenig, Clarence L.

1994-01-01

Porous graphite in solid form is hot isostatically pressed in a refractory metal container to produce a solid graphite monolith with a bulk density greater than or equal to 2.10 g/cc. The refractory metal container is formed of tantalum, niobium, tungsten, molybdenum or alloys thereof in the form of a canister or alternatively plasma sprayed, chemically vapor deposited, or coated by some other suitable means onto graphite. Hot isostatic pressing at 2200.degree. C. and 30 KSI (206.8 MPa) argon pressure for two hours produces a bulk density of 2.10 g/cc. Complex shapes can be made.

High density-high purity graphite prepared by hot isostatic pressing in refractory metal containers

DOEpatents

Hoenig, C.L.

1994-08-09

Porous graphite in solid form is hot isostatically pressed in a refractory metal container to produce a solid graphite monolith with a bulk density greater than or equal to 2.10 g/cc. The refractory metal container is formed of tantalum, niobium, tungsten, molybdenum or alloys thereof in the form of a canister or alternatively plasma sprayed, chemically vapor deposited, or coated by some other suitable means onto graphite. Hot isostatic pressing at 2,200 C and 30 KSI (206.8 MPa) argon pressure for two hours produces a bulk density of 2.10 g/cc. Complex shapes can be made. 1 fig.

Why do gallium clusters have a higher melting point than the bulk?

PubMed

Chacko, S; Joshi, Kavita; Kanhere, D G; Blundell, S A

2004-04-02

Density functional molecular dynamical simulations have been performed on Ga17 and Ga13 clusters to understand the recently observed higher-than-bulk melting temperatures in small gallium clusters [Phys. Rev. Lett. 91, 215508 (2003)

Prediction of supercritical ethane bulk solvent densities for pyrazine solvation shell average occupancy by 1, 2, 3, and 4 ethanes: combined experimental and ab initio approach.

PubMed

Hrnjez, Bruce J; Sultan, Samuel T; Natanov, Georgiy R; Kastner, David B; Rosman, Michael R

2005-11-17

We introduce a method that addresses the elusive local density at the solute in the highly compressible regime of a supercritical fluid. Experimentally, the red shift of the pyrazine n-pi electronic transition was measured at infinite dilution in supercritical ethane as a function of pressure from 0 to about 3000 psia at two temperatures, one close (35.0 degrees C) to the critical temperature and the other remote (55.0 degrees C). Computationally, stationary points were located on the potential surfaces for pyrazine and one, two, three, and four ethanes at the MP2/6-311++G(d,p) level. The vertical n-pi ((1)B(3u)) transition energies were computed for each of these geometries with a TDDFT/B3LYP/6-311++G(d,p) method. The combination of experiment and computation allows prediction of supercritical ethane bulk densities at which the pyrazine primary solvation shell contains an average of one, two, three, and four ethane molecules. These density predictions were achieved by graphical superposition of calculated shifts on the experimental shift versus density curves for 35.0 and 55.0 degrees C. Predicted densities are 0.0635, 0.0875, and 0.0915 g cm(-3) for average pyrazine primary solvation shell occupancy by one, two, and three ethanes at both 35.0 and 55.0 degrees C. Predicted densities are 0.129 and 0.150 g cm(-3) for occupancy by four ethanes at 35.0 and 55.0 degrees C, respectively. An alternative approach, designed to "average out" geometry specific shifts, is based on the relationship Deltanu = -23.9n cm(-1), where n = ethane number. Graphical treatment gives alternative predicted densities of 0.0490, 0.0844, and 0.120 g cm(-3) for average pyrazine primary solvation shell occupancy by one, two, and three ethanes at both 35.0 and 55.0 degrees C, and densities of 0.148 and 0.174 g cm(-3) for occupancy by four ethanes at 35.0 and 55.0 degrees C, respectively.

Monte Carlo Study of Melting of a Model Bulk Ice.

NASA Astrophysics Data System (ADS)

Han, Kyu-Kwang

The methods of NVT (constant number, volume and temperature) and NPT (constant number, pressure and temperature) Monte Carlo computer simulations are used to examine the melting of a periodic hexagonal ice (ice Ih) sample with a unit cell of 192 (rigid) water molecules interacting via the revised central force potentials of Stillinger and Rahman (RSL2). In NVT Monte Carlo simulation of P-T plot for a constant density (0.904g/cm^3) is used to locate onset of the liquid-solid coexistence region (where the slope of the pressure changes sign) and estimate the (constant density) melting point. The slope reversal is a natural consequence of the constant density condition for substances which expand upon freezing and it is pointed out that this analysis is extremely useful for substances such as water. In this study, a sign reversal of the pressure slope is observed near 280 K, indicating that the RSL2 potentials reproduce the freezing expansion expected for water and support a bulk ice Ih system which melts <280 K. The internal energy, specific heat, and two dimensional structure factors for the constant density H_2O system are also examined at a range of temperatures between 100 and 370 K and support the P-T analysis for location of the melting point. This P-T analysis might likewise be useful for determining a (constant density) freezing point, or, with multiple simulations at appropriate densities, the triple point. For NPT Monte Carlo simulations preliminary results are presented. In this study the density, enthalpy, specific heat, and structure factor dependences on temperature are monitored during a sequential heating of the system from 100 to 370 K at a constant pressure (1 atm.). A jump in density upon melting is observed and indicates that the RSL2 potentials reproduce the melting contraction of ice. From the dependences of monitored physical properties on temperature an upper bound on the melting temperature is estimated. In this study we made the first analysis and calculation of the P-T curve for ice Ih melting at constant volume and the first NPT study of ice and of ice melting. In the NVT simulation we found for rho = 0.904g/cm^3 T_ {rm m} ~eq 280 K which is much closer to physical T_ {rm m} than any other published NVT simulation of ice. Finally it is shown that RSL2 potentials do a credible job of describing the thermodynamic properties of ice Ih near its melting point.

Improvement of flow and bulk density of pharmaceutical powders using surface modification.

PubMed

Jallo, Laila J; Ghoroi, Chinmay; Gurumurthy, Lakxmi; Patel, Utsav; Davé, Rajesh N

2012-02-28

Improvement in flow and bulk density, the two most important properties that determine the ease with which pharmaceutical powders can be handled, stored and processed, is done through surface modification. A limited design of experiment was conducted to establish a standardized dry coating procedure that limits the extent of powder attrition, while providing the most consistent improvement in angle of repose (AOR). The magnetically assisted impaction coating (MAIC) was considered as a model dry-coater for pharmaceutical powders; ibuprofen, acetaminophen, and ascorbic acid. Dry coated drug powders were characterized by AOR, particle size as a function of dispersion pressure, particle size distribution, conditioned bulk density (CBD), Carr index (CI), flow function coefficient (FFC), cohesion coefficient using different instruments, including a shear cell in the Freeman FT4 powder rheometer, and Hansen flowability index. Substantial improvement was observed in all the measured properties after dry coating relative to the uncoated powders, such that each powder moved from a poorer to a better flow classification and showed improved dispersion. The material intrinsic property such as cohesion, plotted as a function of particle size, gave a trend similar to those of bulk flow properties, AOR and CI. Property improvement is also illustrated in a phase map of inverse cohesion (or FFC) as a function of bulk density, which also indicated a significant positive shift due to dry coating. It is hoped that such phase maps are useful in manufacturing decisions regarding the need for dry coating, which will allow moving from wet granulation to roller compaction or to direct compression based formulations. Copyright © 2011 Elsevier B.V. All rights reserved.

Piezoelectric coefficients of bulk 3R transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Konabe, Satoru; Yamamoto, Takahiro

2017-09-01

The piezoelectric properties of bulk transition metal dichalcogenides (TMDCs) with a 3R structure were investigated using first-principles calculations based on density functional theory combined with the Berry phase treatment. Values for the elastic constant Cijkl , the piezoelectric coefficient eijk , and the piezoelectric coefficient dijk are given for bulk 3R-TMDCs (MoS2, MoSe2, WS2, and WSe2). The piezoelectric coefficients of bulk 3R-TMDCs are shown to be sufficiently large or comparable to those of conventional bulk piezoelectric materials such as α-quartz, wurtzite GaN, and wurtzite AlN.

Ab-initio study of electronic structure and elastic properties of ZrC

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

Mund, H. S., E-mail: hmoond@gmail.com; Ahuja, B. L.

2016-05-23

The electronic and elastic properties of ZrC have been investigated using the linear combination of atomic orbitals method within the framework of density functional theory. Different exchange-correlation functionals are taken into account within generalized gradient approximation. We have computed energy bands, density of states, elastic constants, bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, lattice parameters and pressure derivative of the bulk modulus by calculating ground state energy of the rock salt structure type ZrC.

Elastic Anomaly and Polyamorphic Transition in (La, Ce)-based Bulk Metallic Glass under Pressure

DOE PAGES

Qi, Xintong; Zou, Yongtao; Wang, Xuebing; ...

2017-04-07

In this paper, we discovered that in association with the polyamorphism of La 32Ce 32Al 16Ni 5Cu 15 bulk metallic glass, the acoustic velocities, measured up to 12.3 GPa using ultrasonic interferometry, exhibit velocity minima at 1.8 GPa for P wave and 3.2 GPa for S wave. The low and high density amorphous states are distinguished by their distinct pressure derivatives of the bulk and shear moduli. The elasticity, permanent densification, and polyamorphic transition are interpreted by the topological rearrangement of solute-centered clusters in medium-range order (MRO) mediated by the 4f electron delocalization of Ce under pressure. The precisely measuredmore » acoustic wave travel times which were used to derive the velocities and densities provided unprecedented data to document the evolution of the bulk and shear elastic moduli associated with a polyamorphic transition in La 32Ce 32Al 16Ni 5Cu 15 bulk metallic glass and can shed new light on the mechanisms of polyamorphism and structural evolution in metallic glasses under pressure.« less

Evaluation of dredged material proposed for ocean disposal from Shark River Project area

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

Antrim, L.D.; Gardiner, W.W.; Barrows, E.S.

1996-09-01

The objective of the Shark River Project was to evaluate proposed dredged material to determine its suitability for unconfined ocean disposal at the Mud Dump Site. Tests and analyses were conducted on the Shark River sediments. The evaluation of proposed dredged material consisted of bulk sediment chemical and physical analysis, chemical analyses of dredging site water and elutriate, water-column and benthic acute toxicity tests, and bioaccumulation tests. Individual sediment core samples collected from the Shark River were analyzed for grain size, moisture content, and total organic carbon (TOC). One sediment composite was analyzed for bulk density, specific gravity, metals, chlorinatedmore » pesticides, polychlorinated biphenyl (PCB) congeners, polynuclear aromatic hydrocarbons (PAHs), and 1,4- dichlorobenzene. Dredging site water and elutriate, prepared from suspended-particulate phase (SPP) of the Shark River sediment composite, were analyzed for metals, pesticides, and PCBs. Benthic acute toxicity tests and bioaccumulation tests were performed.« less

Superconductivity in Ta3Pd3Te14 with quasi-one-dimensional PdTe2 chains.

PubMed

Jiao, Wen-He; He, Lan-Po; Liu, Yi; Xu, Xiao-Feng; Li, Yu-Ke; Zhang, Chu-Hang; Zhou, Nan; Xu, Zhu-An; Li, Shi-Yan; Cao, Guang-Han

2016-02-15

We report bulk superconductivity at 1.0 K in a low-dimensional ternary telluride Ta3Pd3Te14 containing edge-sharing PdTe2 chains along crystallographic b axis, similar to the recently discovered superconductor Ta4Pd3Te16. The electronic heat capacity data show an obvious anomaly at the transition temperature, which indicates bulk superconductivity. The specific-heat jump is ΔC/(γ(n)T(c)) ≈ 1.35, suggesting a weak coupling scenario. By measuring the low-temperature thermal conductivity, we conclude that Ta3Pd3Te14 is very likely a dirty s-wave superconductor. The emergence of superconductivity in Ta3Pd3Te14 with a lower T(c), compared to that of Ta4Pd3Te16, may be attributed to the lower density of states.

Implications of PCR and ELISA results on the routes of bulk-tank contamination with Mycobacterium avium ssp. paratuberculosis.

PubMed

Beaver, A; Cazer, C L; Ruegg, P L; Gröhn, Y T; Schukken, Y H

2016-02-01

Mycobacterium avium ssp. paratuberculosis (MAP), the etiologic agent of Johne's disease in dairy cattle, may enter the bulk tank via environmental contamination or direct excretion into milk. Traditionally, diagnostics to identify MAP in milk target either MAP antibodies (by ELISA) or the organism itself (by culture or PCR). High ELISA titers may be directly associated with excretion of MAP into milk but only indirectly linked to environmental contamination of the bulk tank. Patterns of bulk-milk ELISA and bulk-milk PCR results could therefore provide insight into the routes of contamination and level of infection or environmental burden. Coupled with questionnaire responses pertaining to management, the results of these diagnostic tests could reveal correlations with herd characteristics or on-farm practices that distinguish herds with high and low environmental bulk-tank MAP contamination. A questionnaire on hygiene, management, and Johne's specific parameters was administered to 292 dairy farms in New York, Oregon, and Wisconsin. Bulk-tank samples were collected from each farm for evaluation by real-time PCR and ELISA. Before DNA extraction and testing of the unknown samples, bulk-milk template preparation was optimized with respect to parameters such as MAP fractionation patterns and lysis. Two regression models were developed to explore the relationships among bulk-tank PCR, ELISA, environmental predictors, and herd characteristics. First, ELISA optical density (OD) was designated as the outcome in a linear regression model. Second, the log odds of being PCR positive in the bulk tank were modeled using binary logistic regression with penalized maximum likelihood. The proportion of PCR-positive bulk tanks was highest for New York and for organic farms, providing a clue as to the geographical patterns of MAP-positive bulk-tank samples and relationship to production type. Bulk-milk PCR positivity was also higher for large relative to small herds. The models revealed that bulk-milk PCR result could predict ELISA OD, with PCR-positive results corresponding to high bulk-milk ELISA titers. Similarly, ELISA was a predictor of PCR result, although the association was stronger for organic farms. Despite agreement between high bulk-milk ELISA titers and positive PCR results, a large proportion of high ELISA farms had PCR-negative bulk tanks, suggesting that farms are able to maintain satisfactory hygiene and management despite a presence of MAP in these herds. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Packing microstructure and local density variations of experimental and computational pebble beds

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

Auwerda, G. J.; Kloosterman, J. L.; Lathouwers, D.

2012-07-01

In pebble bed type nuclear reactors the fuel is contained in graphite pebbles, which form a randomly stacked bed with a non-uniform packing density. These variations can influence local coolant flow and power density and are a possible cause of hotspots. To analyse local density variations computational methods are needed that can generate randomly stacked pebble beds with a realistic packing structure on a pebble-to-pebble level. We first compare various properties of the local packing structure of a computed bed with those of an image made using computer aided X-ray tomography, looking at properties in the bulk of the bedmore » and near the wall separately. Especially for the bulk of the bed, properties of the computed bed show good comparison with the scanned bed and with literature, giving confidence our method generates beds with realistic packing microstructure. Results also show the packing structure is different near the wall than in the bulk of the bed, with pebbles near the wall forming ordered layers similar to hexagonal close packing. Next, variations in the local packing density are investigated by comparing probability density functions of the packing fraction of small clusters of pebbles throughout the bed. Especially near the wall large variations in local packing fractions exists, with a higher probability for both clusters of pebbles with low (<0.6) and high (>0.65) packing fraction, which could significantly affect flow rates and, together with higher power densities, could result in hotspots. (authors)« less

From clusters to bulk: A relativistic density functional investigation on a series of gold clusters Aun, n=6,…,147

NASA Astrophysics Data System (ADS)

Häberlen, Oliver D.; Chung, Sai-Cheong; Stener, Mauro; Rösch, Notker

1997-03-01

A series of gold clusters spanning the size range from Au6 through Au147 (with diameters from 0.7 to 1.7 nm) in icosahedral, octahedral, and cuboctahedral structure has been theoretically investigated by means of a scalar relativistic all-electron density functional method. One of the main objectives of this work was to analyze the convergence of cluster properties toward the corresponding bulk metal values and to compare the results obtained for the local density approximation (LDA) to those for a generalized gradient approximation (GGA) to the exchange-correlation functional. The average gold-gold distance in the clusters increases with their nuclearity and correlates essentially linearly with the average coordination number in the clusters. An extrapolation to the bulk coordination of 12 yields a gold-gold distance of 289 pm in LDA, very close to the experimental bulk value of 288 pm, while the extrapolated GGA gold-gold distance is 297 pm. The cluster cohesive energy varies linearly with the inverse of the calculated cluster radius, indicating that the surface-to-volume ratio is the primary determinant of the convergence of this quantity toward bulk. The extrapolated LDA binding energy per atom, 4.7 eV, overestimates the experimental bulk value of 3.8 eV, while the GGA value, 3.2 eV, underestimates the experiment by almost the same amount. The calculated ionization potentials and electron affinities of the clusters may be related to the metallic droplet model, although deviations due to the electronic shell structure are noticeable. The GGA extrapolation to bulk values yields 4.8 and 4.9 eV for the ionization potential and the electron affinity, respectively, remarkably close to the experimental polycrystalline work function of bulk gold, 5.1 eV. Gold 4f core level binding energies were calculated for sites with bulk coordination and for different surface sites. The core level shifts for the surface sites are all positive and distinguish among the corner, edge, and face-centered sites; sites in the first subsurface layer show still small positive shifts.

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

Not Available

This volume contains the interim change notice for physical testing. Covered are: properties of solutions, slurries, and sludges; rheological measurement with cone/plate viscometer; % solids determination; particle size distribution by laser scanning; penetration resistance of radioactive waste; operation of differential scanning calorimeter, thermogravimetric analyzer, and high temperature DTA and DSC; sodium rod for sodium bonded fuel; filling SP-100 fuel capsules; sodium filling of BEATRIX-II type capsules; removal of alkali metals with ammonia; specific gravity of highly radioactive solutions; bulk density of radioactive granular solids; purification of Li by hot gettering/filtration; and Li filling of MOTA capsules.

An overview of rotating machine systems with high-temperature bulk superconductors

NASA Astrophysics Data System (ADS)

Zhou, Difan; Izumi, Mitsuru; Miki, Motohiro; Felder, Brice; Ida, Tetsuya; Kitano, Masahiro

2012-10-01

The paper contains a review of recent advancements in rotating machines with bulk high-temperature superconductors (HTS). The high critical current density of bulk HTS enables us to design rotating machines with a compact configuration in a practical scheme. The development of an axial-gap-type trapped flux synchronous rotating machine together with the systematic research works at the Tokyo University of Marine Science and Technology since 2001 are briefly introduced. Developments in bulk HTS rotating machines in other research groups are also summarized. The key issues of bulk HTS machines, including material progress of bulk HTS, in situ magnetization, and cooling together with AC loss at low-temperature operation are discussed.

Data analysis on physical and mechanical properties of cassava pellets.

PubMed

Oguntunde, Pelumi E; Adejumo, Oluyemisi A; Odetunmibi, Oluwole A; Okagbue, Hilary I; Adejumo, Adebowale O

2018-02-01

In this data article, laboratory experimental investigation results carried out at National Centre for Agricultural Mechanization (NCAM) on moisture content, machine speed, die diameter of the rig, and the outputs (hardness, durability, bulk density, and unit density of the pellets) at different levels of cassava pellets were observed. Analysis of variance using randomized complete block design with factorial was used to perform analysis for each of the outputs: hardness, durability, bulk density, and unit density of the pellets. A clear description on each of these outputs was considered separately using tables and figures. It was observed that for all the output with the exception of unit density, their main factor effects as well as two and three ways interactions is significant at 5% level. This means that the hardness, bulk density and durability of cassava pellets respectively depend on the moisture content of the cassava dough, the machine speed, the die diameter of the extrusion rig and the combinations of these factors in pairs as well as the three altogether. Higher machine speeds produced more quality pellets at lower die diameters while lower machine speed is recommended for higher die diameter. Also the unit density depends on die diameter and the three-way interaction only. Unit density of cassava pellets is neither affected by machine parameters nor moisture content of the cassava dough. Moisture content of cassava dough, speed of the machine and die diameter of the extrusion rig are significant factors to be considered in pelletizing cassava to produce pellets. Increase in moisture content of cassava dough increase the quality of cassava pellets.

Quantifying the heterogeneity of soil compaction, physical soil properties and soil moisture across multiple spatial scales

NASA Astrophysics Data System (ADS)

Coates, Victoria; Pattison, Ian; Sander, Graham

2016-04-01

England's rural landscape is dominated by pastoral agriculture, with 40% of land cover classified as either improved or semi-natural grassland according to the Land Cover Map 2007. Since the Second World War the intensification of agriculture has resulted in greater levels of soil compaction, associated with higher stocking densities in fields. Locally compaction has led to loss of soil storage and an increased in levels of ponding in fields. At the catchment scale soil compaction has been hypothesised to contribute to increased flood risk. Previous research (Pattison, 2011) on a 40km2 catchment (Dacre Beck, Lake District, UK) has shown that when soil characteristics are homogeneously parameterised in a hydrological model, downstream peak discharges can be 65% higher for a heavy compacted soil than for a lightly compacted soil. However, at the catchment scale there is likely to be a significant amount of variability in compaction levels within and between fields, due to multiple controlling factors. This research focusses in on one specific type of land use (permanent pasture with cattle grazing) and areas of activity within the field (feeding area, field gate, tree shelter, open field area). The aim was to determine if the soil characteristics and soil compaction levels are homogeneous in the four areas of the field. Also, to determine if these levels stayed the same over the course of the year, or if there were differences at the end of the dry (October) and wet (April) periods. Field experiments were conducted in the River Skell catchment, in Yorkshire, UK, which has an area of 120km2. The dynamic cone penetrometer was used to determine the structural properties of the soil, soil samples were collected to assess the bulk density, organic matter content and permeability in the laboratory and the Hydrosense II was used to determine the soil moisture content in the topsoil. Penetration results show that the tree shelter is the most compacted and the open field area is least compacted in both periods. The falling head test showed that soil permeability was lowest around the feeding area and highest in the open field area in both periods. Laboratory tests showed that the tree shelter had the lowest bulk density values, due to the higher levels of organic matter content and the field gate had the highest levels of bulk density in both periods. There was also a significant difference in bulk density at the field gate and open field areas between the two periods. These results highlight statistically significant differences between heavily compacted areas where animals congregate and less-trampled areas of the field.

Physiochemical Characterization of Briquettes Made from Different Feedstocks

PubMed Central

Karunanithy, C.; Wang, Y.; Muthukumarappan, K.; Pugalendhi, S.

2012-01-01

Densification of biomass can address handling, transportation, and storage problems and also lend itself to an automated loading and unloading of transport vehicles and storage systems. The purpose of this study is to compare the physicochemical properties of briquettes made from different feedstocks. Feedstocks such as corn stover, switchgrass, prairie cord grass, sawdust, pigeon pea grass, and cotton stalk were densified using a briquetting system. Physical characterization includes particle size distribution, geometrical mean diameter (GMD), densities (bulk and true), porosity, and glass transition temperature. The compositional analysis of control and briquettes was also performed. Statistical analyses confirmed the existence of significant differences in these physical properties and chemical composition of control and briquettes. Correlation analysis confirms the contribution of lignin to bulk density and durability. Among the feedstocks tested, cotton stalk had the highest bulk density of 964 kg/m3 which is an elevenfold increase compared to control cotton stalk. Corn stover and pigeon pea grass had the highest (96.6%) and lowest (61%) durability. PMID:22792471

Near-surface bulk densities of asteroids derived from dual-polarization radar observations

NASA Astrophysics Data System (ADS)

Virkki, A.; Taylor, P. A.; Zambrano-Marin, L. F.; Howell, E. S.; Nolan, M. C.; Lejoly, C.; Rivera-Valentin, E. G.; Aponte, B. A.

2017-09-01

We present a new method to constrain the near-surface bulk density and surface roughness of regolith on asteroid surfaces using planetary radar measurements. The number of radar observations has increased rapidly during the last five years, allowing us to compare and contrast the radar scattering properties of different small-body populations and compositional types. This provides us with new opportunities to investigate their near-surface physical properties such as the chemical composition, bulk density, porosity, or the structural roughness in the scale of centimeters to meters. Because the radar signal can penetrate into a planetary surface up to a few decimeters, radar can reveal information that is hidden from other ground-based methods, such as optical and infrared measurements. The near-surface structure of asteroids and comets in centimeter-to-meter scale is essential information for robotic and human space missions, impact threat mitigation, and understanding the history of these bodies as well as the formation of the whole Solar System.

Microstructure and critical current density in MgB2 bulk made of 4.5 wt% carbon-coated boron

NASA Astrophysics Data System (ADS)

Higuchi, M.; Muralidhar, M.; Jirsa, M.; Murakami, M.

2017-07-01

Superconducting performance and its uniformity was studied in the single-step sintered MgB2 bulk prepared with 4.5 wt% of carbon in the carbon-encapsulated boron. The 20 mm in diameter MgB2 pellet was cut into several pieces from bottom to top and the microstructure, superconducting transition temperature (Tc onset), and critical current density at 20 K were studied. DC magnetization measurements showed a sharp superconducting transition with onset Tc at around 35.5 K in all positions. SEM analysis indicated a dispersion of grains between 200 and 300 nm in size, as the main pinning medium in this MgB2 superconductors. The critical current density at 20 K was quite uniform, around 330 kA/cm2 and 200 kA/cm2 at self-field and 1 T, respectively, for all measured positions. The results indicate that the carbon-encapsulated boron is very promising for production of high quality bulk MgB2 material for various industrial applications.

Global and critical test of the perturbation density-functional theory based on extensive simulation of Lennard-Jones fluid near an interface and in confined systems.

PubMed

Zhou, Shiqi; Jamnik, Andrej

2005-09-22

The structure of a Lennard-Jones (LJ) fluid subjected to diverse external fields maintaining the equilibrium with the bulk LJ fluid is studied on the basis of the third-order+second-order perturbation density-functional approximation (DFA). The chosen density and potential parameters for the bulk fluid correspond to the conditions situated at "dangerous" regions of the phase diagram, i.e., near the critical temperature or close to the gas-liquid coexistence curve. The accuracy of DFA predictions is tested against the results of a grand canonical ensemble Monte Carlo simulation. It is found that the DFA theory presented in this work performs successfully for the nonuniform LJ fluid only on the condition of high accuracy of the required bulk second-order direct correlation function. The present report further indicates that the proposed perturbation DFA is efficient and suitable for both supercritical and subcritical temperatures.

Combined Molecular Dynamics, Atoms in Molecules, and IR Studies of the Bulk Monofluoroethanol and Bulk Ethanol To Understand the Role of Organic Fluorine in the Hydrogen Bond Network.

PubMed

Biswas, Biswajit; Mondal, Saptarsi; Singh, Prashant Chandra

2017-02-16

The presence of the fluorocarbon group in fluorinated alcohols makes them an important class of molecules that have diverse applications in the field of separation techniques, synthetic chemistry, polymer industry, and biology. In this paper, we have performed the density function theory calculation along with atom in molecule analysis, molecular dynamics simulation, and IR measurements of bulk monofluoroethanol (MFE) and compared them with the data for bulk ethanol (ETH) to understand the effect of the fluorocarbon group in the structure and the hydrogen bond network of bulk MFE. It has been found that the intramolecular O-H···F hydrogen bond is almost absent in bulk MFE. Molecular dynamics simulation and density function theory calculation along with atom in molecule analysis clearly depict that in the case of bulk MFE, a significant amount of intermolecular O-H···F and C-H···F hydrogen bonds are present along with the intermolecular O-H···O hydrogen bond. The presence of intermolecular O-H···F and C-H···F hydrogen bonds causes the difference in the IR spectrum of bulk MFE as compared to bulk ETH. This study clearly depicts that the organic fluorine (fluorocarbon) of MFE acts as a hydrogen bond acceptor and plays a significant role in the structure and hydrogen bond network of bulk MFE through the formation of weak O-H···F as well C-H···F hydrogen bonds, which may be one of the important reasons behind the unique behavior of the fluoroethanols.

Effects of biochars on hydraulic properties of clayey soil

NASA Astrophysics Data System (ADS)

Zhen, Jingbo; Palladino, Mario; Lazarovitch, Naftali; Bonanomi, Giuliano; Battista Chirico, Giovanni

2017-04-01

Biochar has gained popularity as an amendment to improve soil hydraulic properties. Since biochar properties depend on feedstocks and pyrolysis temperatures used for its production, proper selection of biochar type as soil amendment is of great importance for soil hydraulic properties improvement. This study investigated the effects of eight types of biochar on physical and hydraulic properties of clayey soil. Biochars were derived from four different feedstocks (Alfalfa hay, municipal organic waste, corn residues and wood chip) pyrolyzed at two different temperatures (300 and 550 °C). Clayey soil samples were taken from Leone farm (40° 26' 15.31" N, 14° 59' 45.54" E), Italy, and were oven-dried at 105 °C to determine dry bulk density. Biochars were mixed with the clayey soil at 5% by mass. Bulk densities of the mixtures were also determined. Saturated hydraulic conductivities (Ks) of the original clayey soil and corresponding mixtures were measured by means of falling-head method. Soil water retention measurements were conducted for clayey soil and mixtures using suction table apparatus and Richards' plate with the pressure head (h) up to 12000 cm. van Genuchten retention function was selected to evaluate the retention characteristics of clayey soil and mixtures. Available water content (AWC) was calculated by field capacity (h = - 500 cm) minus wilting pointing (h = -12000 cm). The results showed that biochar addition decreased the bulk density of clayey soil. The Ks of clayey soil increased due to the incorporation of biochars except for waste and corn biochars pyrolyzed at 550 °C. AWC of soils mixed with corn biochar pyrolyzed at 300 °C and wood biochar pyrolyzed at 550 °C, increased by 31% and 7%, respectively. Further analysis will be conducted in combination of biochar properties such as specific surface area and total pore volume. Better understanding of biochar impact on clayey soil will be helpful in biochar selection for soil amendment and improving water use efficiency in agriculture.

Grinding energy and physical properties of chopped and hammer-milled barley, wheat, oat, and canola straws

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

J.S. Tumuluru; L.G. Tabil; Y. Song

2014-01-01

In the present study, specific energy for grinding and physical properties of wheat, canola, oat and barley straw grinds were investigated. The initial moisture content of the straw was about 0.13–0.15 (fraction total mass basis). Particle size reduction experiments were conducted in two stages: (1) a chopper without a screen, and (2) a hammer mill using three screen sizes (19.05, 25.4, and 31.75 mm). The lowest grinding energy (1.96 and 2.91 kWh t-1) was recorded for canola straw using a chopper and hammer mill with 19.05-mm screen size, whereas the highest (3.15 and 8.05 kWh t-1) was recorded for barleymore » and oat straws. The physical properties (geometric mean particle diameter, bulk, tapped and particle density, and porosity) of the chopped and hammer-milled wheat, barley, canola, and oat straw grinds measured were in the range of 0.98–4.22 mm, 36–80 kg m-3, 49–119 kg m-3, 600–1220 kg m-3, and 0.9–0.96, respectively. The average mean particle diameter was highest for the chopped wheat straw (4.22-mm) and lowest for the canola grind (0.98-mm). The canola grinds produced using the hammer mill (19.05-mm screen size) had the highest bulk and tapped density of about 80 and 119 kg m-3; whereas, the wheat and oat grinds had the lowest of about 58 and 88–90 kg m-3. The results indicate that the bulk and tapped densities are inversely proportional to the particle size of the grinds. The flow properties of the grinds calculated are better for chopped straws compared to hammer milled using smaller screen size (19.05 mm).« less

Effects of Nitrogen Fixing Pre-Crops and Fertilizers on Physical and Chemical Properties Down the Soil Profile

NASA Astrophysics Data System (ADS)

Hobley, E.; Honermeier, B.; Don, A.; Gocke, M. I.; Amelung, W.; Kogel-Knabner, I.

2016-12-01

We investigated the effects of pre-crops with and without biological nitrogen fixation capacity (fava beans, clover mulch, fodder maize) and fertilization (no fertilizer, NPK fertilizer, PK fertilizer) on soil physico-chemical properties (bulk density, electrical conductivity, soil organic carbon (SOC) concentration and stocks, N concentration and stocks) and their depth distribution (down to 1 m) at a long-term field experiment set up in 1982 in Gießen, Germany. Fertilization had significant but small impacts on the soil chemical environment, most particularly the salt content of the soil, with PK fertilization increasing electrical conductivity throughout the soil profile. Similarly, fertilization resulted in a small reduction of soil pH throughout the entire soil profile. The soil was physically and chemically affected by the type of pre-crop. Plots with fava beans and maize had lower bulk densities in the subsoil than those with clover. Pre-crop type also significantly affected the depth distribution of both N and SOC. Specifically, clover pre-cropping led to an enrichment of N at the surface compared with fava beans and maize. SOC enrichment at the surface was also observed under clover, with the effect most pronounced under PK fertilization. Combined with the bulk density effects, this shift in N distribution resulted in significantly higher N stocks under clover than under fava beans. However, the total stocks of SOC were not affected by pre-crop or fertilizer regime. Our results indicate that humans influence C and N cycling and distribution in soils through the selection of pre-crops and that the influence of crop type is greater than that of fertilization regimes. Pre-cropping with clover, which is used as a mulch, leads to N enrichment in the topsoil, reducing the need for N fertilizer for the subsequent cereal crop. In contrast, the use of fava beans as a pre-crop does not lead to N enrichment. We believe this is due to the greater rooting depth of fava beans compared with clover, resulting in lower bulk density in the subsoil and associated lower stocks. Additionally, the harvest of fava beans removes N-rich biomass from the soil, lowering N-input. Lastly, the uptake of water at depth may facilitate subsoil N uptake, so that fava bean N is utilized by the cereal crop but does not lead to its enrichment in the subsoil.

Ab initio study of perovskite type oxide materials for solid oxide fuel cells

NASA Astrophysics Data System (ADS)

Lee, Yueh-Lin

2011-12-01

Perovskite type oxides form a family of materials of significant interest for cathodes and electrolytes of solid oxide fuel cells (SOFCs). These perovskites not only are active catalysts for surface oxygen reduction (OR) reactions but also allow incorporating the spilt oxygen monomers into their bulk, an unusual and poorly understood catalytic mechanism that couples surface and bulk properties. The OR mechanisms can be influenced strongly by defects in perovskite oxides, composition, and surface defect structures. This thesis work initiates a first step in developing a general strategy based on first-principles calculations for detailed control of oxygen vacancy content, transport rates of surface and bulk oxygen species, and surface/interfacial reaction kinetics. Ab initio density functional theory methods are used to model properties relevant for the OR reactions on SOFC cathodes. Three main research thrusts, which focus on bulk defect chemistry, surface defect structures and surface energetics, and surface catalytic properties, are carried to investigate different level of material chemistry for improved understanding of key physics/factors that govern SOFC cathode OR activity. In the study of bulk defect chemistry, an ab initio based defect model is developed for modeling defect chemistry of LaMnO 3 under SOFC conditions. The model suggests an important role for defect interactions, which are typically excluded in previous defect models. In the study of surface defect structures and surface energetics, it is shown that defect energies change dramatically (1˜2 eV lower) from bulk values near surfaces. Based on the existing bulk defect model with the calculated ab initio surface defect energetics, we predict the (001) MnO 2 surface oxygen vacancy concentration of (La0.9Sr0.1 )MnO3 is about 5˜6 order magnitude higher than that of the bulk under typical SOFC conditions. Finally, for surface catalytic properties, we show that area specific resistance, oxygen exchange rates, and key OR energetics of the SOFC cathode perovskites, can be described by a single descriptor, either the bulk O p-band or the bulk oxygen vacancy formation energy. These simple descriptors will further enable first-principles optimization/design of new SOFC cathodes.

Bulk and interfacial structures of reline deep eutectic solvent: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Kaur, Supreet; Sharma, Shobha; Kashyap, Hemant K.

2017-11-01

We apply all-atom molecular dynamics simulations to describe the bulk morphology and interfacial structure of reline, a deep eutectic solvent comprising choline chloride and urea in 1:2 molar ratio, near neutral and charged graphene electrodes. For the bulk phase structural investigation, we analyze the simulated real-space radial distribution functions, X-ray/neutron scattering structure functions, and their partial components. Our study shows that both hydrogen-bonding and long-range correlations between different constituents of reline play a crucial role to lay out the bulk structure of reline. Further, we examine the variation of number density profiles, orientational order parameters, and electrostatic potentials near the neutral and charged graphene electrodes with varying electrode charge density. The present study reveals the presence of profound structural layering of not only the ionic components of reline but also urea near the electrodes. In addition, depending on the electrode charge density, the choline ions and urea molecules render different orientations near the electrodes. The simulated number density and electrostatic potential profiles for reline clearly show the presence of multilayer structures up to a distance of 1.2 nm from the respective electrodes. The observation of positive values of the surface potential at zero charge indicates the presence of significant nonelectrostatic attraction between the choline cation and graphene electrode. The computed differential capacitance (Cd) for reline exhibits an asymmetric bell-shaped curve, signifying different variation of Cd with positive and negative surface potentials.

Bulk and interfacial structures of reline deep eutectic solvent: A molecular dynamics study.

PubMed

Kaur, Supreet; Sharma, Shobha; Kashyap, Hemant K

2017-11-21

We apply all-atom molecular dynamics simulations to describe the bulk morphology and interfacial structure of reline, a deep eutectic solvent comprising choline chloride and urea in 1:2 molar ratio, near neutral and charged graphene electrodes. For the bulk phase structural investigation, we analyze the simulated real-space radial distribution functions, X-ray/neutron scattering structure functions, and their partial components. Our study shows that both hydrogen-bonding and long-range correlations between different constituents of reline play a crucial role to lay out the bulk structure of reline. Further, we examine the variation of number density profiles, orientational order parameters, and electrostatic potentials near the neutral and charged graphene electrodes with varying electrode charge density. The present study reveals the presence of profound structural layering of not only the ionic components of reline but also urea near the electrodes. In addition, depending on the electrode charge density, the choline ions and urea molecules render different orientations near the electrodes. The simulated number density and electrostatic potential profiles for reline clearly show the presence of multilayer structures up to a distance of 1.2 nm from the respective electrodes. The observation of positive values of the surface potential at zero charge indicates the presence of significant nonelectrostatic attraction between the choline cation and graphene electrode. The computed differential capacitance (C d ) for reline exhibits an asymmetric bell-shaped curve, signifying different variation of C d with positive and negative surface potentials.

The legacy of wetland drainage on the remaining peat in the Sacramento-San Joaquin Delta, California, USA

USGS Publications Warehouse

Drexler, Judith Z.; Christian S. de Fontaine,; Steven J. Deverel,

2009-01-01

Throughout the world, many extensive wetlands, such as the Sacramento-San Joaquin Delta of California (hereafter, the Delta), have been drained for agriculture, resulting in land-surface subsidence of peat soils. The purpose of this project was to study the in situ effects of wetland drainage on the remaining peat in the Delta. Peat cores were retrieved from four drained, farmed islands and four relatively undisturbed, marsh islands. Core samples were analyzed for bulk density and percent organic carbon. Macrofossils in the peat were dated using radiocarbon age determination. The peat from the farmed islands is highly distinct from marsh island peat. Bulk density of peat from the farmed islands is generally greater than that of the marsh islands at a given organic carbon content. On the farmed islands, increased bulk density, which is an indication of compaction, decreases with depth within the unoxidized peat zone, whereas, on the marsh islands, bulk density is generally constant with depth except near the surface. Approximately 55–80% of the original peat layer on the farmed islands has been lost due to landsurface subsidence. For the center regions of the farmed islands, this translates into an estimated loss of between 2900-5700 metric tons of organic carbon/hectare. Most of the intact peat just below the currently farmed soil layer is over 4000 years old. Peat loss will continue as long as the artificial water table on the farmed islands is held below the land surface.

Plasmonic Nanoholes in a Multi-Channel Microarray Format for Parallel Kinetic Assays and Differential Sensing

PubMed Central

Im, Hyungsoon; Lesuffleur, Antoine; Lindquist, Nathan C.; Oh, Sang-Hyun

2009-01-01

We present nanohole arrays in a gold film integrated with a 6-channel microfluidic chip for parallel measurements of molecular binding kinetics. Surface plasmon resonance effects in the nanohole arrays enable real-time label-free measurements of molecular binding events in each channel, while adjacent negative reference channels can record measurement artifacts such as bulk solution index changes, temperature variations, or changing light absorption in the liquid. Using this platform, streptavidin-biotin specific binding kinetics are measured at various concentrations with negative controls. A high-density microarray of 252 biosensing pixels is also demonstrated with a packing density of 106 sensing elements/cm2, which can potentially be coupled with a massively parallel array of microfluidic channels for protein microarray applications. PMID:19284776

High density hexagonal boron nitride prepared by hot isostatic pressing in refractory metal containers

DOEpatents

Hoenig, Clarence L.

1992-01-01

Boron nitride powder with less than or equal to the oxygen content of starting powder (down to 0.5% or less) is hot isostatically pressed in a refractory metal container to produce hexagonal boron nitride with a bulk density greater than 2.0 g/cc. The refractory metal container is formed of tantalum, niobium, tungsten, molybdenum or alloys thereof in the form of a canister or alternatively plasma sprayed or chemical vapor deposited onto a powder compact. Hot isostatic pressing at 1800.degree. C. and 30 KSI (206.8 MPa) argon pressure for four hours produces a bulk density of 2.21 g/cc. Complex shapes can be made.

Effect of process variables on the quality characteristics of pelleted wheat distiller's dried grains with solubles

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

Jaya Shankar Tumuluru; Lope Tabil; Anthony Opoku

2011-04-01

The rapid expansion of ethanol processing plants in Canada has resulted in a significant increase in the production of wheat-based distiller's dried grains with solubles (DDGS). Transportation and flowability problems associated with DDGS necessitate investigations on pelleting. In the present study, the effect of process variables like die temperature (T) and feed moisture content (Mw) on the pellet properties like pellet moisture content, durability and pellet density was explored using a single pelleting machine; further studies on pelleting DDGS using a pilot-scale pellet mill were also conducted to understand the effect of die diameter and steam conditioning on durability andmore » bulk density of pellets. Proximate analysis of DDGS indicated that crude protein and dry matter were in the range of 37.37–40.33% and 91.27–92.60%, respectively. Linear regression models developed for pellet quality attributes like pellet moisture content, pellet density and durability adequately described the single pelleting process with R2 value of 0.97, 0.99 and 0.7, respectively. ANOVA results have indicated that linear terms T and Mw and the interaction term T × Mw were statistically significant at P < 0.01 and P < 0.1 for pellet moisture content and pellet density. Based on the trends of the surface plots, a medium T of about 50–80 °C and a low Mw of about 5.1% resulted in maximum pellet density and durability and minimum pellet moisture content. Results from pilot-scale studies indicated that bulk density, durability and throughput values were 436.8–528.9 kg m-3, 60.3–92.7% and 45.52–68.77 kg h-1, respectively. It was observed that both die diameter and steam addition had a significant effect on the bulk density and the durability values. The highest bulk density and durability were achieved with 6.4 mm die diameter with steam addition compared to 7.9 mm die with or without steam addition.« less

A density functional theory for association of fluid molecules with a functionalized surface: fluid-wall single and double bonding.

PubMed

Haghmoradi, Amin; Wang, Le; Chapman, Walter G

2017-02-01

In this manuscript we extend Wertheim's two-density formalism beyond its first order to model a system of fluid molecules with a single association site close to a planar hard wall with association sites on its surface in a density functional theory framework. The association sites of the fluid molecules are small enough that they can form only one bond, while the wall association sites are large enough to bond with more than one fluid molecule. The effects of temperature and of bulk fluid and wall site densities on the fluid density profile, extent of association, and competition between single and double bonding of fluid segments at the wall sites versus distance from the wall are presented. The theory predictions are compared with new Monte Carlo simulation results and they are in good agreement. The theory captures the surface coverage over wide ranges of temperature and bulk density by introducing the effect of steric hindrance in fluid association at a wall site.

Estimation of Phonon and Carrier Thermal Conductivities for Bulk Thermoelectric Materials Using Transport Properties

NASA Astrophysics Data System (ADS)

Otsuka, Mioko; Homma, Ryoei; Hasegawa, Yasuhiro

2017-05-01

The phonon and carrier thermal conductivities of thermoelectric materials were calculated using the Wiedemann-Franz law, Boltzmann equation, and a method we propose in this study called the Debye specific heat method. We prepared polycrystalline n-type doped bismuth telluride (BiTe) and bismuth antimony (BiSb) bulk alloy samples and measured six parameters (Seebeck coefficient, resistivity, thermal conductivity, thermal diffusivity, magneto-resistivity, and Hall coefficient). The carrier density and mobility were estimated for calculating the carrier thermal conductivity by using the Boltzmann equation. In the Debye specific heat method, the phonon thermal diffusivity, and thermal conductivity were calculated from the temperature dependence of the effective specific heat by using not only the measured thermal conductivity and Debye model, but also the measured thermal diffusivity. The carrier thermal conductivity was also evaluated from the phonon thermal conductivity by using the specific heat. The ratio of carrier thermal conductivity to thermal conductivity was evaluated for the BiTe and BiSb samples, and the values obtained using the Debye specific heat method at 300 K were 52% for BiTe and <5.5% for BiSb. These values are either considerably larger or smaller than those obtained using other methods. The Dulong-Petit law was applied to validate the Debye specific heat method at 300 K, which is significantly greater than the Debye temperature of the BiTe and BiSb samples, and it was confirmed that the phonon specific heat at 300 K has been accurately reproduced using our proposed method.

Cometary water-group ions in the region surrounding Comet Giacobini-Zinner - Distribution functions and bulk parameter estimates

NASA Astrophysics Data System (ADS)

Staines, K.; Balogh, A.; Cowley, S. W. H.; Hynds, R. J.; Yates, T. S.; Richardson, I. G.; Sanderson, T. R.; Wenzel, K. P.; McComas, D. J.; Tsurutani, B. T.

1991-03-01

The bulk parameters (number density and thermal energy density) of cometary water-group ions in the region surrounding Comet Giacobini-Zinner have been derived using data from the EPAS instrument on the ICE spacecraft. The derivation is based on the assumption that the pick-up ion distribution function is isotropic in the frame of the bulk flow, an approximation which has previously been shown to be reasonable within about 400,000 km of the comet nucleus along the spacecraft trajectory. The transition between the pick-up and mass-loaded regions occurs at the cometary shock, which was traversed at a cometocentric distance of about 100,000 km along the spacecraft track. Examination of the ion distribution functions in this region, transformed to the bulk flow frame, indicates the occurrence of a flattened distribution in the vicinity of the local pick-up speed, and a steeply falling tail at speeds above, which may be approximated as an exponential in ion speed.

Excess electrons in ice: a density functional theory study.

PubMed

Bhattacharya, Somesh Kr; Inam, Fakharul; Scandolo, Sandro

2014-02-21

We present a density functional theory study of the localization of excess electrons in the bulk and on the surface of crystalline and amorphous water ice. We analyze the initial stages of electron solvation in crystalline and amorphous ice. In the case of crystalline ice we find that excess electrons favor surface states over bulk states, even when the latter are localized at defect sites. In contrast, in amorphous ice excess electrons find it equally favorable to localize in bulk and in surface states which we attribute to the preexisting precursor states in the disordered structure. In all cases excess electrons are found to occupy the vacuum regions of the molecular network. The electron localization in the bulk of amorphous ice is assisted by its distorted hydrogen bonding network as opposed to the crystalline phase. Although qualitative, our results provide a simple interpretation of the large differences observed in the dynamics and localization of excess electrons in crystalline and amorphous ice films on metals.

Anharmonic, dimensionality and size effects in phonon transport

NASA Astrophysics Data System (ADS)

Thomas, Iorwerth O.; Srivastava, G. P.

2017-12-01

We have developed and employed a numerically efficient semi- ab initio theory, based on density-functional and relaxation-time schemes, to examine anharmonic, dimensionality and size effects in phonon transport in three- and two-dimensional solids of different crystal symmetries. Our method uses third- and fourth-order terms in crystal Hamiltonian expressed in terms of a temperature-dependent Grüneisen’s constant. All input to numerical calculations are generated from phonon calculations based on the density-functional perturbation theory. It is found that four-phonon processes make important and measurable contribution to lattice thermal resistivity above the Debye temperature. From our numerical results for bulk Si, bulk Ge, bulk MoS2 and monolayer MoS2 we find that the sample length dependence of phonon conductivity is significantly stronger in low-dimensional solids.

Two space scatterer formalism calculation of bulk parameters of thunderclouds

NASA Technical Reports Server (NTRS)

Phanord, Dieudonne D.

1994-01-01

In a previous study, we used a modified two-space scatterer formalism of Twersky to establish for a cloud modeled as a statistically homogeneous distribution of spherical water droplets, the dispersion relations that determine its bulk propagation numbers and bulk indexes of refraction in terms of the vector equivalent scattering amplitude and the dyadic scattering amplitude of the single water droplet in isolation. The results were specialized to the forward direction of scattering while demanding that the scatterers preserve the incident polarization. We apply this approach to obtain specific numerical values for the macroscopic parameters of the cloud. We work with a cloud of density rho = 100 cm(exp -3), a wavelength lambda = 0.7774 microns, and with spherical water droplets of common radius alpha = 10 microns. In addition, the scattering medium is divided into three parts, the medium outside the cloud, moist air (the medium inside the cloud but outside the droplets), and the medium inside the spherical water droplets. The results of this report are applicable to a cloud of any geometry since the boundary does not interfere with the calculations. Also, it is important to notice the plane wave nature of the incidence wave in the moist atmosphere.

Vibrational density of states and thermodynamics at the nanoscale: the 3D-2D transition in gold nanostructures

PubMed Central

Carles, R.; Benzo, P.; Pécassou, B.; Bonafos, C.

2016-01-01

Surface enhanced Raman scattering (SERS) is generally and widely used to enhance the vibrational fingerprint of molecules located at the vicinity of noble metal nanoparticles. In this work, SERS is originally used to enhance the own vibrational density of states (VDOS) of nude and isolated gold nanoparticles. This offers the opportunity of analyzing finite size effects on the lattice dynamics which remains unattainable with conventional techniques based on neutron or x-ray inelastic scattering. By reducing the size down to few nanometers, the role of surface atoms versus volume atoms become dominant, and the “text-book” 3D-2D transition on the dynamical behavior is experimentally emphasized. “Anomalies” that have been predicted by a large panel of simulations at the atomic scale, are really observed, like the enhancement of the VDOS at low frequencies or the occurrence of localized modes at frequencies beyond the cut-off in bulk. Consequences on the thermodynamic properties at the nanoscale, like the reduction of the Debye temperature or the excess of the specific heat, have been evaluated. Finally the high sensitivity of reminiscent bulk-like phonons on the arrangements at the atomic scale is used to access the morphology and internal disorder of the nanoparticles. PMID:27982080

Evidence of current free double layer in high density helicon discharge

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

Ganguli, A.; Sahu, B. B.; Tarey, R. D.

2013-01-15

This paper investigates the formation of double layer (DL) in helicon plasmas. In the experiment, argon plasma production is using the excitation of m = -1 helicon mode with magnetic mirror field with high mirror ratio of {approx}1:1.7. We have specifically used the radio frequency compensated Langmuir probe (LP) to measure the relevant plasma parameters simultaneously so as to investigate the details about the plasma production. The DL, which consists of both warm and bulk populations towards higher potential region and only dense bulk plasmas towards the lower potential region downstream the antenna, is present in the transition region. LPmore » measurements also show an abrupt fall of density along with a potential drop of about 20 V and (e {Delta}V{sub p}/k T{sub e}) Almost-Equal-To 12 within a few cm. The potential drop is equal to the difference of the electron temperatures between the two plasma regions forming the DL, which is present in the plateau region of mirror, unlike in several prior studies on the DL formation in the region of strong gradients in the magnetic field. The DL is strong, current-free, electric double-layer with estimated thickness of about 10 Debye lengths.« less

Early Response of Soil Properties and Function to Riparian Rainforest Restoration

PubMed Central

Gageler, Rose; Bonner, Mark; Kirchhof, Gunnar; Amos, Mark; Robinson, Nicole; Schmidt, Susanne; Shoo, Luke P.

2014-01-01

Reforestation of riparian zones is increasingly practiced in many regions for purposes of biodiversity conservation, bank stabilisation, and improvement in water quality. This is in spite of the actual benefits of reforestation for recovering underlying soil properties and function remaining poorly understood. Here we compare remnant riparian rainforest, pasture and reforestation plantings aged 2–20 years in an Australian subtropical catchment on ferrosols to determine the extent to which reforestation restores key soil properties. Of the nine soil attributes measured (total nitrogen, nitrate and ammonium concentrations, net nitrification and ammonification rates, organic carbon, bulk density, fine root biomass and water infiltration rates), only infiltration rates were significantly lower in pasture than remnant riparian rainforest. Within reforestation plantings, bulk density decreased up to 1.4-fold and infiltration rates increased up to 60-fold with time post-reforestation. Our results suggest that the main outcome of belowground processes of early reforestation is the recovery of the soils' physical structure, with potential beneficial ecosystem services including reduced runoff, erosion and associated sediment and nutrient loads in waterways. We also demonstrate differential impacts of two commonly planted tree species on a subset of soil properties suggesting that preferential planting of select species could accelerate progress on specific restoration objectives. PMID:25117589

Early response of soil properties and function to riparian rainforest restoration.

PubMed

Gageler, Rose; Bonner, Mark; Kirchhof, Gunnar; Amos, Mark; Robinson, Nicole; Schmidt, Susanne; Shoo, Luke P

2014-01-01

Reforestation of riparian zones is increasingly practiced in many regions for purposes of biodiversity conservation, bank stabilisation, and improvement in water quality. This is in spite of the actual benefits of reforestation for recovering underlying soil properties and function remaining poorly understood. Here we compare remnant riparian rainforest, pasture and reforestation plantings aged 2-20 years in an Australian subtropical catchment on ferrosols to determine the extent to which reforestation restores key soil properties. Of the nine soil attributes measured (total nitrogen, nitrate and ammonium concentrations, net nitrification and ammonification rates, organic carbon, bulk density, fine root biomass and water infiltration rates), only infiltration rates were significantly lower in pasture than remnant riparian rainforest. Within reforestation plantings, bulk density decreased up to 1.4-fold and infiltration rates increased up to 60-fold with time post-reforestation. Our results suggest that the main outcome of belowground processes of early reforestation is the recovery of the soils' physical structure, with potential beneficial ecosystem services including reduced runoff, erosion and associated sediment and nutrient loads in waterways. We also demonstrate differential impacts of two commonly planted tree species on a subset of soil properties suggesting that preferential planting of select species could accelerate progress on specific restoration objectives.

Estimation of forest fuel load from radar remote sensing

USGS Publications Warehouse

Saatchi, S.; Halligan, K.; Despain, Don G.; Crabtree, R.L.

2007-01-01

Understanding fire behavior characteristics and planning for fire management require maps showing the distribution of wildfire fuel loads at medium to fine spatial resolution across large landscapes. Radar sensors from airborne or spaceborne platforms have the potential of providing quantitative information about the forest structure and biomass components that can be readily translated to meaningful fuel load estimates for fire management. In this paper, we used multifrequency polarimetric synthetic aperture radar (SAR) imagery acquired over a large area of the Yellowstone National Park by the Airborne SAR sensor to estimate the distribution of forest biomass and canopy fuel loads. Semiempirical algorithms were developed to estimate crown and stem biomass and three major fuel load parameters, namely: 1) canopy fuel weight; 2) canopy bulk density; and 3) foliage moisture content. These estimates, when compared directly to measurements made at plot and stand levels, provided more than 70% accuracy and, when partitioned into fuel load classes, provided more than 85% accuracy. Specifically, the radar-generated fuel parameters were in good agreement with the field-based fuel measurements, resulting in coefficients of determination of R2 = 85 for the canopy fuel weight, R 2 = 0.84 for canopy bulk density, and R2 =0.78 for the foliage biomass. ?? 2007 IEEE.

Vibrational density of states and thermodynamics at the nanoscale: the 3D-2D transition in gold nanostructures

NASA Astrophysics Data System (ADS)

Carles, R.; Benzo, P.; Pécassou, B.; Bonafos, C.

2016-12-01

Surface enhanced Raman scattering (SERS) is generally and widely used to enhance the vibrational fingerprint of molecules located at the vicinity of noble metal nanoparticles. In this work, SERS is originally used to enhance the own vibrational density of states (VDOS) of nude and isolated gold nanoparticles. This offers the opportunity of analyzing finite size effects on the lattice dynamics which remains unattainable with conventional techniques based on neutron or x-ray inelastic scattering. By reducing the size down to few nanometers, the role of surface atoms versus volume atoms become dominant, and the “text-book” 3D-2D transition on the dynamical behavior is experimentally emphasized. “Anomalies” that have been predicted by a large panel of simulations at the atomic scale, are really observed, like the enhancement of the VDOS at low frequencies or the occurrence of localized modes at frequencies beyond the cut-off in bulk. Consequences on the thermodynamic properties at the nanoscale, like the reduction of the Debye temperature or the excess of the specific heat, have been evaluated. Finally the high sensitivity of reminiscent bulk-like phonons on the arrangements at the atomic scale is used to access the morphology and internal disorder of the nanoparticles.

Ab initio DFT+U study of He atom incorporation into UO(2) crystals.

PubMed

Gryaznov, Denis; Heifets, Eugene; Kotomin, Eugene

2009-09-07

We present and discuss results of the density functional theory (DFT) for perfect UO(2) crystals with He atoms in octahedral interstitial positions therein. We have calculated basic bulk crystal properties and He incorporation energies into the low temperature anti-ferromagnetic UO(2) phase using several exchange-correlation functionals within the spin-polarized local density (LDA) and generalized gradient (GGA) approximations. In all DFT calculations we included the on-site correlation corrections using the Hubbard model (DFT+U approach). We analysed a potential crystalline symmetry reduction from tetragonal down to orthorhombic structure and confirmed the presence of the Jahn-Teller effect in a perfect UO(2). We discuss also the problem of a conducting electronic state arising when He is placed into a tetragonal antiferromagnetic phase of UO(2) commonly used in defect modelling. Consequently, we found a specific monoclinic lattice distortion which allowed us to restore the semiconducting state and properly estimate He incorporation energies. Unlike the bulk properties, the He incorporation energy strongly depends on several factors, including the supercell size, the use of spin polarization, the exchange-correlation functionals and on-site correlation corrections. We compare our results for the He incorporation with the previous shell model and ab initio DFT calculations.

Physical properties of sidewall cores from Decatur, Illinois

USGS Publications Warehouse

Morrow, Carolyn A.; Kaven, Joern; Moore, Diane E.; Lockner, David A.

2017-10-18

To better assess the reservoir conditions influencing the induced seismicity hazard near a carbon dioxide sequestration demonstration site in Decatur, Ill., core samples from three deep drill holes were tested to determine a suite of physical properties including bulk density, porosity, permeability, Young’s modulus, Poisson’s ratio, and failure strength. Representative samples of the shale cap rock, the sandstone reservoir, and the Precambrian basement were selected for comparison. Physical properties were strongly dependent on lithology. Bulk density was inversely related to porosity, with the cap rock and basement samples being both least porous (

Electrical method for the measurements of volume averaged electron density and effective coupled power to the plasma bulk

NASA Astrophysics Data System (ADS)

Henault, M.; Wattieaux, G.; Lecas, T.; Renouard, J. P.; Boufendi, L.

2016-02-01

Nanoparticles growing or injected in a low pressure cold plasma generated by a radiofrequency capacitively coupled capacitive discharge induce strong modifications in the electrical parameters of both plasma and discharge. In this paper, a non-intrusive method, based on the measurement of the plasma impedance, is used to determine the volume averaged electron density and effective coupled power to the plasma bulk. Good agreements are found when the results are compared to those given by other well-known and established methods.

Bianchi type-VIh string cloud cosmological models with bulk viscosity

NASA Astrophysics Data System (ADS)

Tripathy, Sunil K.; Behera, Dipanjali

2010-11-01

String cloud cosmological models are studied using spatially homogeneous and anisotropic Bianchi type VIh metric in the frame work of general relativity. The field equations are solved for massive string cloud in presence of bulk viscosity. A general linear equation of state of the cosmic string tension density with the proper energy density of the universe is considered. The physical and kinematical properties of the models have been discussed in detail and the limits of the anisotropic parameter responsible for different phases of the universe are explored.

Assigning crystallographic electron densities with free energy calculations—The case of the fluoride channel Fluc

PubMed Central

2018-01-01

Approximately 90% of the structures in the Protein Data Bank (PDB) were obtained by X-ray crystallography or electron microscopy. Whereas the overall quality of structure is considered high, thanks to a wide range of tools for structure validation, uncertainties may arise from density maps of small molecules, such as organic ligands, ions or water, which are non-covalently bound to the biomolecules. Even with some experience and chemical intuition, the assignment of such disconnected electron densities is often far from obvious. In this study, we suggest the use of molecular dynamics (MD) simulations and free energy calculations, which are well-established computational methods, to aid in the assignment of ambiguous disconnected electron densities. Specifically, estimates of (i) relative binding affinities, for instance between an ion and water, (ii) absolute binding free energies, i.e., free energies for transferring a solute from bulk solvent to a binding site, and (iii) stability assessments during equilibrium simulations may reveal the most plausible assignments. We illustrate this strategy using the crystal structure of the fluoride specific channel (Fluc), which contains five disconnected electron densities previously interpreted as four fluoride and one sodium ion. The simulations support the assignment of the sodium ion. In contrast, calculations of relative and absolute binding free energies as well as stability assessments during free MD simulations suggest that four of the densities represent water molecules instead of fluoride. The assignment of water is compatible with the loss of these densities in the non-conductive F82I/F85I mutant of Fluc. We critically discuss the role of the ion force fields for the calculations presented here. Overall, these findings indicate that MD simulations and free energy calculations are helpful tools for modeling water and ions into crystallographic density maps. PMID:29771936

An estimation of the main wetting branch of the soil water retention curve based on its main drying branch using the machine learning method

NASA Astrophysics Data System (ADS)

Lamorski, Krzysztof; Šimūnek, Jiří; Sławiński, Cezary; Lamorska, Joanna

2017-02-01

In this paper, we estimated using the machine learning methodology the main wetting branch of the soil water retention curve based on the knowledge of the main drying branch and other, optional, basic soil characteristics (particle size distribution, bulk density, organic matter content, or soil specific surface). The support vector machine algorithm was used for the models' development. The data needed by this algorithm for model training and validation consisted of 104 different undisturbed soil core samples collected from the topsoil layer (A horizon) of different soil profiles in Poland. The main wetting and drying branches of SWRC, as well as other basic soil physical characteristics, were determined for all soil samples. Models relying on different sets of input parameters were developed and validated. The analysis showed that taking into account other input parameters (i.e., particle size distribution, bulk density, organic matter content, or soil specific surface) than information about the drying branch of the SWRC has essentially no impact on the models' estimations. Developed models are validated and compared with well-known models that can be used for the same purpose, such as the Mualem (1977) (M77) and Kool and Parker (1987) (KP87) models. The developed models estimate the main wetting SWRC branch with estimation errors (RMSE = 0.018 m3/m3) that are significantly lower than those for the M77 (RMSE = 0.025 m3/m3) or KP87 (RMSE = 0. 047 m3/m3) models.

Technical issues of a high-Tc superconducting bulk magnet

NASA Astrophysics Data System (ADS)

Fujimoto, Hiroyuki

2000-06-01

Superconducting magnets made of high-Tc superconductors are promising for industrial applications. It is well known that REBa2Cu3O7-x superconductors prepared by melt processes have a high critical current density, Jc, at 77 K and high magnetic fields. The materials are very promising for high magnetic field applications as a superconducting permanent/bulk magnet with liquid-nitrogen refrigeration. Light rare-earth (LRE) BaCuO bulks, compared with REBaCuO bulks, exhibit a larger Jc in high magnetic fields and a much improved irreversibility field, Hirr, at 77 K. In this study, we discuss technical issues of a high-Tc superconducting bulk magnet, namely the aspects of the melt processing for bulk superconductors, their characteristic superconducting properties and mechanical properties, and trapped field properties of a superconducting bulk magnet. One of the possible applications is a superconducting bulk magnet for the magnetically levitated (Maglev) train in the future.

Exploring packaging strategies of nano-embedded thermoelectric generators

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

Singha, Aniket; Muralidharan, Bhaskaran, E-mail: bm@ee.iitb.ac.in; Mahanti, Subhendra D.

2015-10-15

Embedding nanostructures within a bulk matrix is an important practical approach towards the electronic engineering of high performance thermoelectric systems. For power generation applications, it ideally combines the efficiency benefit offered by low dimensional systems along with the high power output advantage offered by bulk systems. In this work, we uncover a few crucial details about how to embed nanowires and nanoflakes in a bulk matrix so that an overall advantage over pure bulk may be achieved. First and foremost, we point out that a performance degradation with respect to bulk is inevitable as the nanostructure transitions to a multimore » moded one. It is then shown that a nano embedded system of suitable cross-section offers a power density advantage over a wide range of efficiencies at higher packing fractions, and this range gradually narrows down to the high efficiency regime, as the packing fraction is reduced. Finally, we introduce a metric - the advantage factor, to elucidate quantitatively, the enhancement in the power density offered via nano-embedding at a given efficiency. In the end, we explore the maximum effective width of nano-embedding which serves as a reference in designing generators in the efficiency range of interest.« less

The homogeneity of levitation force in single domain YBCO bulk

NASA Astrophysics Data System (ADS)

Zhou, Keran; Xu, Ke-Xi; Wu, Xing-da; Pan, Peng-jun

2007-11-01

The pellet homogeneity of levitation force versus the position in comparison to the seed or to the top surface has been studied in the entire volume of a single domain YBa 2Cu 3O 7-δ bulk sample processed by the top-seeded melt texturing growth (TSMTG). It is found that the levitation forces increase and peak at a depth of 3 mm from the top of the sample at liquid nitrogen temperature. In other words, the second disk has the largest levitation force density. The phenomenon can be interpreted by the interaction between the microcracks or pores produced by crystal growth and the oxygenation. We propose a model in which Y211 particles distribution leading to microcracks and pores reduces the effective induced shielding current loops (ISCL) and increases the perimeters of ISCL. This corresponds to a decrease in the grain size and results in greatly reduced levitation forces of the bottom of the bulk. From the research, we know that the density of the YBCO bulk is also an important parameter for the levitation properties. The result is very attractive and useful for the fundamental studies and fabrication of TSMTG YBa 2Cu 3O 7-δ bulk.

Equations of state and anisotropy of Fe-Ni-Si alloys

NASA Astrophysics Data System (ADS)

Morrison, R. A.; Jackson, J. M.; Sturhahn, W.; Zhang, D.; Greenberg, E.

2017-12-01

Seismic observations provide constraints on the density, bulk sound speed, and bulk modulus of Earth's inner core, and x-ray diffraction (XRD) experiments can experimentally constrain such properties of iron alloys. The deviation of these seismically-inferred values from the properties of iron suggests the presence of light elements (e.g. Si, O, S, C, H) inside the core. While cosmochemical studies suggest Earth's core is composed primarily of iron alloyed with 5 wt% nickel, existing experimental XRD studies constraining pressure-density relations have predominantly focused on iron and iron alloyed with light elements, while neglecting the effect of nickel. In this study, we present high-precision equations of state for bcc- and hcp-structured Fe0.91Ni0.09 and Fe0.80Ni0.10Si0.10 using powder XRD at room temperature up to 167 GPa and 175 GPa, respectively. By using tungsten powder as a pressure calibrant and helium as a pressure transmitting medium, we minimize error due to pressure calibration and non-hydrostatic stresses. The results are high fidelity equations of state (EOS). By systematically comparing our findings to an established EOS of hcp-Fe [Dewaele et al. 2006], we constrain the effect of nickel and silicon on the density, bulk sound speed, and bulk modulus of iron alloys, which is a critical step towards constraining the inner core's composition. We find that for iron alloys, high quality ambient temperature EOSs can dramatically improve the extrapolated high temperature equations of state to inner core conditions. By combining seismic observations and their associated uncertainties with our data and existing Fe light-element-alloy EOSs, we estimate their densities, bulk moduli, and bulk sound speeds at inner core conditions and propose an experimentally and seismologically consistent range of inner core compositions. Additionally, we obtain an unprecedented constraint on the effect of nickel and silicon on the axial ratio of iron alloys. Nickel has a measurably distinct effect on the c/a axial ratio of iron, as does alloying iron-nickel with silicon. We investigate the relationship between the c/a axial ratio and elastic anisotropy of iron alloys and discuss the implications for inner core seismic anisotropy.

Hydration shell parameters of aqueous alcohols: THz excess absorption and packing density.

PubMed

Matvejev, V; Zizi, M; Stiens, J

2012-12-06

Solvation in water requires minimizing the perturbations in its hydrogen bonded network. Hence solutes distort water molecular motions in a surrounding domain, forming a molecule-specific hydration shell. The properties of those hydration shells impact the structure and function of the solubilized molecules, both at the single molecule and at higher order levels. The size of the hydration shell and the picoseconds time-scale water dynamics retardation are revealed by terahertz (THz) absorption coefficient measurements. Room-temperature absorption coefficient at f = 0.28 [THz] is measured as a function of alcohol concentration in aqueous methanol, ethanol, 1,2-propanol, and 1-butanol solutions. Highly diluted alcohol measurements and enhanced overall measurement accuracy are achieved with a THz absorption measurement technique of nL-volume liquids in a capillary tube. In the absorption analysis, bulk and interfacial molecular domains of water and alcohol are considered. THz ideal and excess absorption coefficients are defined in accordance with thermodynamics mixing formulations. The parameter extraction method is developed based on a THz excess absorption model and hydrated solute molecule packing density representation. First, the hydration shell size is deduced from the hydrated solute packing densities at two specific THz excess absorption nonlinearity points: at infinite alcohol dilution (IAD) and at the THz excess absorption extremum (EAE). Consequently, interfacial water and alcohol molecular domain absorptions are deduced from the THz excess absorption model. The hydration shell sizes obtained at the THz excess absorption extremum are in excellent agreement with other reports. The hydration shells of methanol, ethanol, 1- and 2-propanol consist of 13.97, 22.94, 22.99, and 31.10 water molecules, respectively. The hydration shell water absorption is on average 0.774 ± 0.028 times the bulk water absorption. The hydration shell parameters might shed light on hydration dynamics of biomolecules.

Effects of processing moisture on the physical properties and in vitro digestibility of starch and protein in extruded brown rice and pinto bean composite flours.

PubMed

Sumargo, Franklin; Gulati, Paridhi; Weier, Steven A; Clarke, Jennifer; Rose, Devin J

2016-11-15

The influence of pinto bean flour and processing moisture on the physical properties and in vitro digestibility of rice-bean extrudates has been investigated. Brown rice: pinto bean flour (0%, 15%, 30%, and 45% bean flour) were extruded under 5 moisture conditions (17.2%, 18.1%, 18.3%, 19.5%, and 20.1%). Physical properties [bulk density, unit density, radial expansion, axial expansion, overall expansion, specific volume, hardness, color, water solubility index, and water absorption index] and in vitro starch and protein digestibilities were determined. Increasing bean flour and processing moisture increased density and hardness while decreasing expansion. Rapidly digestible starch decreased and resistant starch increased as bean substitution and processing moisture increased. In vitro protein digestibility increased with increasing bean flour or with decreasing processing moisture. Incorporating bean flour into extruded snacks can negatively affect physical attributes (hardness, density, and expansion) while positively affecting in vitro starch (decrease) and protein (increase) digestibilities. Copyright © 2016 Elsevier Ltd. All rights reserved.

Density functional theory study of structural, electronic, and thermal properties of Pt, Pd, Rh, Ir, Os and PtPd X (X = Ir, Os, and Rh) alloys

NASA Astrophysics Data System (ADS)

Shabbir, Ahmed; Muhammad, Zafar; M, Shakil; M, A. Choudhary

2016-03-01

The structural, electronic, mechanical, and thermal properties of Pt, Pd, Rh, Ir, Os metals and their alloys PtPdX (X = Ir, Os and Rh) are studied systematically using ab initio density functional theory. The groundstate properties such as lattice constant and bulk modulus are calculated to find the equilibrium atomic position for stable alloys. The electronic band structure and density of states are calculated to study the electronic behavior of metals on making their alloys. The electronic properties substantiate the metallic behavior for all studied materials. The firstprinciples density functional perturbation theory as implemented in quasi-harmonic approximation is used for the calculations of thermal properties. We have calculated the thermal properties such as the Debye temperature, vibrational energy, entropy and constant-volume specific heat. The calculated properties are compared with the previously reported experimental and theoretical data for metals and are found to be in good agreement. Calculated results for alloys could not be compared because there is no data available in the literature with such alloy composition.

Evaluation of a microwave resonator for predicting grain moisture independent of bulk density

USDA-ARS?s Scientific Manuscript database

This work evaluated the ability of a planar whispering mode resonator to predict moisture considering moisture and densities expected in an on-harvester application. A calibration model was developed to accurately predict moisture over the moisture, density and temperature ranges evaluated. This mod...

Evaluation of techniques for determining the density of fine woody debris

Treesearch

Becky Fasth; Mark E. Harmon; Christopher W. Woodall; Jay. Sexton

2010-01-01

Evaluated various techniques for determining the density (i.e., bulk density) of fine woody debris during forest inventory activities. It was found that only experts in dead wood inventory may be able to identify fine woody debris stages of decay. Suggests various future research directions such as...

Influence of pressure on pyrolysis of black liquor: 1. Swelling.

PubMed

Whitty, Kevin; Backman, Rainer; Hupa, Mikko

2008-02-01

This is the first of two papers concerning the behavior of black liquor during pyrolysis under pressurized conditions. Two industrial kraft liquors were pyrolyzed in a laboratory-scale pressurized single particle reactor and a pressurized grid heater at temperatures ranging from 650 to 1100 degrees C and at pressures between 1 and 20 bar. The dimensions of the chars produced were measured and the specific swollen volume was calculated. Swelling decreased roughly logarithmically over the pressure range 1-20 r. An expression is developed to predict the specific swollen volume at elevated pressure when the volume at 1 bar is known. The bulk density of the char increased with pressure, indicating that liquors will be entrained less easily at higher pressures.

B-Site Cation-Ordered Double-Perovskite Oxide as an Outstanding Electrode Material for Supercapacitive Energy Storage Based on the Anion Intercalation Mechanism.

PubMed

Xu, Zhenye; Liu, Yu; Zhou, Wei; Tade, Moses O; Shao, Zongping

2018-03-21

Perovskite oxides are highly promising electrodes for oxygen-ion-intercalation-type supercapacitors owing to their high oxygen vacancy concentration, oxygen diffusion rate, and tap density. Based on the anion intercalation mechanism, the capacitance is contributed by surface redox reactions and oxygen ion intercalation in the bulk materials. A high concentration of oxygen vacancies is needed because it is the main charge carrier. In this study, we propose a B-site cation-ordered Ba 2 Bi 0.1 Sc 0.2 Co 1.7 O 6-δ as an electrode material with an extremely high oxygen vacancy concentration and oxygen diffusion rate. A maximum capacitance of 1050 F g -1 was achieved, and a high capacitance of 780 F g -1 was maintained even after 3000 charge-discharge cycles at a current density of 1 A g -1 with an aqueous alkaline solution (6 M KOH) electrolyte, indicating an excellent cycling stability. In addition, the specific volumetric capacitance of Ba 2 Bi 0.1 Sc 0.2 Co 1.7 O 6-δ reaches up to 2549.4 F cm -3 based on the dense construction and high tap density (3.2 g cm -3 ). In addition, an asymmetric supercapacitor was constructed using activated carbon as a negative electrode, and it displayed the highest specific energy density of 70 Wh kg -1 at the power density of 787 W kg -1 in this study.

Physical properties of the Nankai inner accretionary prism sediments at Site C0002, IODP Expedition 348.

NASA Astrophysics Data System (ADS)

Kitamura, M.; Kitajima, H.; Henry, P.; Valdez, R. D., II; Josh, M.; Tobin, H. J.; Saffer, D. M.; Hirose, T.; Toczko, S.; Maeda, L.

2014-12-01

Integrated Ocean Drilling Program (IODP) Nankai Trough Seismogenic Zone Experiment (NanTroSEIZE) Expedition 348 focused on deepening the existing riser hole at Site C0002 to ~3000 meters below seafloor (mbsf) to access the deep interior of the Miocene inner accretionary prism. This unique tectonic environment, which has never before been sampled in situ by ocean drilling, was characterized through riser drilling, logging while drilling (LWD), mud gas monitoring and sampling, and cuttings and core analysis. Shipboard physical properties measurements including moisture and density (MAD), electrical conductivity, P-wave, natural gamma ray, and magnetic susceptibility measurements were performed mainly on cuttings samples from 870.5 to 3058.5 mbsf, but also on core samples from 2163 and 2204 mbsf. MAD measurements were conducted on seawater-washed cuttings ("bulk cuttings") in two size fractions of >4 mm and 1-4 mm from 870.5 to 3058.5 mbsf, and hand-picked intact cuttings from the >4 mm size fractions within 1222.5-3058.5 mbsf interval. The bulk cuttings show grain density of ~2.7 g/cm3, bulk density of 1.9 g/cm3 to 2.2 g/cm3, and porosity of 50% to 32%. Compared to the values on bulk cuttings, the intact cuttings show almost the same grain density, but higher bulk density and lower porosity, respectively. Combined with the MAD measurements on hand-picked intact cuttings and discrete core samples from previous expeditions, porosity generally decreases from ~60% to ~20% from the seafloor to 3000 mbsf at Site C0002. Electrical conductivity and P-wave velocity on discrete samples, which were prepared from both cuttings and core samples in the depth interval of 1745.5-3058.5 mbsf, range 0.15-0.9 S/m and 1.7-4.5 km/s, respectively. The electrical resistivity on discrete samples is higher than the LWD resistivity data but the overall depth trends are similar. The electrical conductivity and P-wave velocity on discrete samples corrected for in-situ pressure and temperature will be presented. The shipboard physical properties measurements on cuttings are very limited but can be useful with careful treatment and observation.

Effect of composition on physical properties of food powders

NASA Astrophysics Data System (ADS)

Szulc, Karolina; Lenart, Andrzej

2016-04-01

The paper presents an influence of raw material composition and technological process applied on selected physical properties of food powders. Powdered multi-component nutrients were subjected to the process of mixing, agglomeration, coating, and drying. Wetting liquids ie water and a 15% water lactose solution, were used in agglomeration and coating. The analyzed food powders were characterized by differentiated physical properties, including especially: particle size, bulk density, wettability, and dispersibility. The raw material composition of the studied nutrients exerted a statistically significant influence on their physical properties. Agglomeration as well as coating of food powders caused a significant increase in particle size, decreased bulk density, increased apparent density and porosity, and deterioration in flowability in comparison with non-agglomerated nutrients.

Assessment of the Density Functional Tight Binding Method for Protic Ionic Liquids

PubMed Central

2015-01-01

Density functional tight binding (DFTB), which is ∼100–1000 times faster than full density functional theory (DFT), has been used to simulate the structure and properties of protic ionic liquid (IL) ions, clusters of ions and the bulk liquid. Proton affinities for a wide range of IL cations and anions determined using DFTB generally reproduce G3B3 values to within 5–10 kcal/mol. The structures and thermodynamic stabilities of n-alkyl ammonium nitrate clusters (up to 450 quantum chemical atoms) predicted with DFTB are in excellent agreement with those determined using DFT. The IL bulk structure simulated using DFTB with periodic boundary conditions is in excellent agreement with published neutron diffraction data. PMID:25328497

Stored grain pack factors for wheat: comparison of three methods to field measurements

USDA-ARS?s Scientific Manuscript database

Storing grain in bulk storage units results in grain packing from overbearing pressure, which increases grain bulk density and storage-unit capacity. This study compared pack factors of hard red winter (HRW) wheat in vertical storage bins using different methods: the existing packing model (WPACKING...

Understanding the effects of decompaction maintenance on the infill state and play performance of third-generation artificial grass pitches

PubMed Central

Forrester, Stephanie E; McLaren, Nicholas J

2015-01-01

Third generation artificial grass pitches have been observed to get harder over time. The maintenance technique of rubber infill decompaction is intended to help slow, or reverse, this process. At present, little is understood about either the science of the infill compaction process or the efficacy of decompaction maintenance. The objective of this study was to measure the changes in rubber infill net bulk density, force reduction (impact absorption) and vertical ball rebound under various levels of compactive effort in controlled laboratory-based testing. The assessments were repeated after the systems had been raked to simulate the decompaction maintenance techniques. These tests defined the limits of compaction (loose to maximally compacted) in terms of the change in rubber infill net bulk density, force reduction and vertical ball rebound. Site testing was also undertaken at four third generation pitches immediately pre and post decompaction, to determine the measurable effects in the less well controlled field environment. Rubber infill net bulk density was found to increase as compactive effort increased, resulting in increased hardness. Decompacting the surface was found to approximately fully reverse these effects. In comparison, the site measurements demonstrated similar but notably smaller magnitudes of change following the decompaction process suggesting that the field state pre and post decompaction did not reach the extremes obtained in the laboratory. The findings suggest that rubber infill net bulk density is an important parameter influencing the hardness of artificial grass and that decompactions can be an effective method to reverse compaction related hardness changes. PMID:29708108

The legacy of wetland drainage on the remaining peat in the Sacramento San Joaquin Delta, California, USA

USGS Publications Warehouse

Drexler, J.Z.; De Fontaine, C. S.; Deverel, S.J.

2009-01-01

Throughout the world, many extensive wetlands, such as the Sacramento-San Joaquin Delta of California (hereafter, the Delta), have been drained for agriculture, resulting in land-surface subsidence of peat soils. The purpose of this project was to study the in situ effects of wetland drainage on the remaining peat in the Delta. Peat cores were retrieved from four drained, farmed islands and four relatively undisturbed, marsh islands. Core samples were analyzed for bulk density and percent organic carbon. Macrofossils in the peat were dated using radiocarbon age determination. The peat from the farmed islands is highly distinct from marsh island peat. Bulk density of peat from the farmed islands is generally greater than that of the marsh islands at a given organic carbon content. On the farmed islands, increased bulk density, which is an indication of compaction, decreases with depth within the unoxidized peat zone, whereas, on the marsh islands, bulk density is generally constant with depth except near the surface. Approximately 5580 of the original peat layer on the farmed islands has been lost due to land-surface subsidence. For the center regions of the farmed islands, this translates into an estimated loss of between 29005700 metric tons of organic carbon/hectare. Most of the intact peat just below the currently farmed soil layer is over 4000 years old. Peat loss will continue as long as the artificial water table on the farmed islands is held below the land surface. ?? 2009 The Society of Wetland Scientists.

Band Gap Engineering of Boron Nitride by Graphene and Its Application as Positive Electrode Material in Asymmetric Supercapacitor Device.

PubMed

Saha, Sanjit; Jana, Milan; Khanra, Partha; Samanta, Pranab; Koo, Hyeyoung; Murmu, Naresh Chandra; Kuila, Tapas

2015-07-08

Nanostructured hexagonal boron nitride (h-BN)/reduced graphene oxide (RGO) composite is prepared by insertion of h-BN into the graphene oxide through hydrothermal reaction. Formation of the super lattice is confirmed by the existence of two separate UV-visible absorption edges corresponding to two different band gaps. The composite materials show enhanced electrical conductivity as compared to the bulk h-BN. A high specific capacitance of ∼824 F g(-1) is achieved at a current density of 4 A g(-1) for the composite in three-electrode electrochemical measurement. The potential window of the composite electrode lies in the range from -0.1 to 0.5 V in 6 M aqueous KOH electrolyte. The operating voltage is increased to 1.4 V in asymmetric supercapacitor (ASC) device where the thermally reduced graphene oxide is used as the negative electrode and the h-BN/RGO composite as the positive electrode. The ASC exhibits a specific capacitance of 145.7 F g(-1) at a current density of 6 A g(-1) and high energy density of 39.6 W h kg(-1) corresponding to a large power density of ∼4200 W kg(-1). Therefore, a facile hydrothermal route is demonstrated for the first time to utilize h-BN-based composite materials as energy storage electrode materials for supercapacitor applications.

Effects of densification of precursor pellets on microstructures and critical current properties of YBCO melt-textured bulks

NASA Astrophysics Data System (ADS)

Setoyama, Yui; Shimoyama, Jun-ichi; Motoki, Takanori; Kishio, Kohji; Awaji, Satoshi; Kon, Koichi; Ichikawa, Naoki; Inamori, Satoshi; Naito, Kyogo

2016-12-01

Effects of densification of precursor disks on the density of residual voids and critical current properties for YBCO melt-textured bulk superconductors were systematically investigated. Six YBCO bulks were prepared from precursor pellets with different initial particle sizes of YBa2Cu3Oy (Y123) powder and applied pressures for pelletization. It was revealed that use of finer Y123 powder and consolidation using cold-isostatic-pressing (CIP) with higher pressures result in reduction of residual voids at inner regions of bulks and enhance Jc especially under low fields below the second peak.

Predictive Simulation of Process Windows for Powder Bed Fusion Additive Manufacturing: Influence of the Powder Bulk Density.

PubMed

Rausch, Alexander M; Küng, Vera E; Pobel, Christoph; Markl, Matthias; Körner, Carolin

2017-09-22

The resulting properties of parts fabricated by powder bed fusion additive manufacturing processes are determined by their porosity, local composition, and microstructure. The objective of this work is to examine the influence of the stochastic powder bed on the process window for dense parts by means of numerical simulation. The investigations demonstrate the unique capability of simulating macroscopic domains in the range of millimeters with a mesoscopic approach, which resolves the powder bed and the hydrodynamics of the melt pool. A simulated process window reveals the influence of the stochastic powder layer. The numerical results are verified with an experimental process window for selective electron beam-melted Ti-6Al-4V. Furthermore, the influence of the powder bulk density is investigated numerically. The simulations predict an increase in porosity and surface roughness for samples produced with lower powder bulk densities. Due to its higher probability for unfavorable powder arrangements, the process stability is also decreased. This shrinks the actual parameter range in a process window for producing dense parts.

Predictive Simulation of Process Windows for Powder Bed Fusion Additive Manufacturing: Influence of the Powder Bulk Density

PubMed Central

Rausch, Alexander M.; Küng, Vera E.; Pobel, Christoph; Körner, Carolin

2017-01-01

The resulting properties of parts fabricated by powder bed fusion additive manufacturing processes are determined by their porosity, local composition, and microstructure. The objective of this work is to examine the influence of the stochastic powder bed on the process window for dense parts by means of numerical simulation. The investigations demonstrate the unique capability of simulating macroscopic domains in the range of millimeters with a mesoscopic approach, which resolves the powder bed and the hydrodynamics of the melt pool. A simulated process window reveals the influence of the stochastic powder layer. The numerical results are verified with an experimental process window for selective electron beam-melted Ti-6Al-4V. Furthermore, the influence of the powder bulk density is investigated numerically. The simulations predict an increase in porosity and surface roughness for samples produced with lower powder bulk densities. Due to its higher probability for unfavorable powder arrangements, the process stability is also decreased. This shrinks the actual parameter range in a process window for producing dense parts. PMID:28937633

Density functional theory study of bulk and single-layer magnetic semiconductor CrPS4

NASA Astrophysics Data System (ADS)

Zhuang, Houlong L.; Zhou, Jia

2016-11-01

Searching for two-dimensional (2D) materials with multifunctionality is one of the main goals of current research in 2D materials. Magnetism and semiconducting are certainly two desirable functional properties for a single 2D material. In line with this goal, here we report a density functional theory (DFT) study of bulk and single-layer magnetic semiconductor CrPS4. We find that the ground-state magnetic structure of bulk CrPS4 exhibits the A-type antiferromagnetic ordering, which transforms to ferromagnetic (FM) ordering in single-layer CrPS4. The calculated formation energy and phonon spectrum confirm the stability of single-layer CrPS4. The band gaps of FM single-layer CrPS4 calculated with a hybrid density functional are within the visible-light range. We also study the effects of FM ordering on the optical absorption spectra and band alignments for water splitting, indicating that single-layer CrPS4 could be a potential photocatalyst. Our work opens up ample opportunities of energy-related applications of single-layer CrPS4.

First-principles study of the structural, electronic and thermal properties of CaLiF3

NASA Astrophysics Data System (ADS)

Chouit, N.; Amara Korba, S.; Slimani, M.; Meradji, H.; Ghemid, S.; Khenata, R.

2013-09-01

Density functional theory calculations have been performed to study the structural, electronic and optical properties of CaLiF3 cubic fluoroperovskite. Our calculations were carried out by means of the full-potential linearized augmented plane-wave method. The exchange-correlation potential is treated by the local density approximation and the generalized gradient approximation (GGA) (Perdew, Burke and Ernzerhof). Moreover, the alternative form of GGA proposed by Engel and Vosko is also used for band structure calculations. The calculated total energy versus volume allows us to obtain structural properties such as the lattice constant (a0), bulk modulus (B0) and pressure derivative of the bulk modulus (B'0 ). Band structure, density of states and band gap pressure coefficients are also given. Our calculations show that CaLiF3 has an indirect band gap (R-Γ). Following the quasi-harmonic Debye model, in which the phononic effects are considered, the temperature and pressure effects on the lattice constant, bulk modulus, thermal expansion coefficient, Debye temperature and heat capacities are calculated.

Self-consistent pseudopotential calculation of the bulk properties of Mo and W

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

Zunger, A.; Cohen, M.L.

The bulk properties of Mo and W are calculated using the recently developed momentum-space approach for calculating total energy via a nonlocal pseudopotential. This approach avoids any shape approximation to the variational charge density (e.g., muffin tins), is fully self-consistent, and replaces the multidimensional and multicenter integrals akin to real-space representations by simple and readily convergent reciprocal-space lattice sums. We use first-principles atomic pseudopotentials which have been previously demonstrated to yield band structures and charge densities for both semiconductors and transition metals in good agreement with experiment and all-electron calculations. Using a mixed-basis representation for the crystalline wave function, wemore » are able to accurately reproduce both the localized and itinerant features of the electronic states in these systems. These first-principles pseudopotentials, together with the self-consistent density-functional representation for both the exchange and the correlation screening, yields agreement with experiment of 0.2% in the lattice parameters, 2% and 11% for the binding energies of Mo and W, respectively, and 12% and 7% for the bulk moduli of Mo and W, respectively.« less

The effect of grain size and cement content on index properties of weakly solidified artificial sandstones

NASA Astrophysics Data System (ADS)

Atapour, Hadi; Mortazavi, Ali

2018-04-01

The effects of textural characteristics, especially grain size, on index properties of weakly solidified artificial sandstones are studied. For this purpose, a relatively large number of laboratory tests were carried out on artificial sandstones that were produced in the laboratory. The prepared samples represent fifteen sandstone types consisting of five different median grain sizes and three different cement contents. Indices rock properties including effective porosity, bulk density, point load strength index, and Schmidt hammer values (SHVs) were determined. Experimental results showed that the grain size has significant effects on index properties of weakly solidified sandstones. The porosity of samples is inversely related to the grain size and decreases linearly as grain size increases. While a direct relationship was observed between grain size and dry bulk density, as bulk density increased with increasing median grain size. Furthermore, it was observed that the point load strength index and SHV of samples increased as a result of grain size increase. These observations are indirectly related to the porosity decrease as a function of median grain size.

Extended hot carrier lifetimes observed in bulk In{sub 0.265±0.02}Ga{sub 0.735}N under high-density photoexcitation

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

Zhang, Yi; Tayebjee, Murad J. Y.; Smyth, Suntrana

2016-03-28

We have investigated the ultrafast carrier dynamics in a 1 μm bulk In{sub 0.265}Ga{sub 0.735}N thin film grown using energetic neutral atom-beam lithography/epitaxy molecular beam epitaxy. Cathodoluminescence and X-ray diffraction experiments are used to observe the existence of indium-rich domains in the sample. These domains give rise to a second carrier population and bi-exponential carrier cooling is observed with characteristic lifetimes of 1.6 and 14 ps at a carrier density of 1.3 × 10{sup 16 }cm{sup −3}. A combination of band-filling, screening, and hot-phonon effects gives rise to a two-fold enhanced mono-exponential cooling rate of 28 ps at a carrier density of 8.4 × 10{sup 18 }cm{sup −3}. Thismore » is the longest carrier thermalization time observed in bulk InGaN alloys to date.« less

Theoretical Study of α-V2O5 -Based Double-Wall Nanotubes.

PubMed

Porsev, Vitaly V; Bandura, Andrei V; Evarestov, Robert A

2015-10-05

First-principles calculations of the atomic and electronic structure of double-wall nanotubes (DWNTs) of α-V2 O5 are performed. Relaxation of the DWNT structure leads to the formation of two types of local regions: 1) bulk-type regions and 2) puckering regions. Calculated total density of states (DOS) of DWNTs considerably differ from that of single-wall nanotubes and the single layer, as well as from the DOS of the bulk and double layer. Small shoulders that appear on edges of valence and conduction bands result in a considerable decrease in the band gaps of the DWNTs (up to 1 eV relative to the single-layer gaps). The main reason for this effect is the shift of the inner- and outer-wall DOS in opposite directions on the energetic scale. The electron density corresponding to shoulders at the conduction-band edges is localized on vanadium atoms of the bulk-type regions, whereas the electron density corresponding to shoulders at the valence-band edges belongs to oxygen atoms of both regions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The deformation and failure response of closed-cell PMDI foams subjected to dynamic impact loading

DOE PAGES

Koohbor, Behrad; Mallon, Silas; Kidane, Addis; ...

2015-04-07

The present work aims to investigate the bulk deformation and failure response of closed-cell Polymeric Methylene Diphenyl Diisocyanate (PMDI) foams subjected to dynamic impact loading. First, foam specimens of different initial densities are examined and characterized in quasi-static loading conditions, where the deformation behavior of the samples is quantified in terms of the compressive elastic modulus and effective plastic Poisson's ratio. Then, the deformation response of the foam specimens subjected to direct impact loading is examined by taking into account the effects of material compressibility and inertia stresses developed during deformation, using high speed imaging in conjunction with 3D digitalmore » image correlation. The stress-strain response and the energy absorption as a function of strain rate and initial density are presented and the bulk failure mechanisms are discussed. As a result, it is observed that the initial density of the foam and the applied strain rates have a substantial influence on the strength, bulk failure mechanism and the energy dissipation characteristics of the foam specimens.« less

From chemistry to mechanics: bulk modulus evolution of Li-Si and Li-Sn alloys via the metallic electronegativity scale.

PubMed

Li, Keyan; Xie, Hui; Liu, Jun; Ma, Zengsheng; Zhou, Yichun; Xue, Dongfeng

2013-10-28

Toward engineering high performance anode alloys for Li-ion batteries, we proposed a useful method to quantitatively estimate the bulk modulus of binary alloys in terms of metallic electronegativity (EN), alloy composition and formula volume. On the basis of our proposed potential viewpoint, EN as a fundamental chemistry concept can be extended to be an important physical parameter to characterize the mechanical performance of Li-Si and Li-Sn alloys as anode materials for Li-ion batteries. The bulk modulus of binary alloys is linearly proportional to the combination of average metallic EN and atomic density of alloys. We calculated the bulk moduli of Li-Si and Li-Sn alloys with different Li concentrations, which can agree well with the reported data. The bulk modulus of Li-Si and Li-Sn alloys decreases with increasing Li concentration, leading to the elastic softening of the alloys, which is essentially caused by the decreased strength of constituent chemical bonds in alloys from the viewpoint of EN. This work provides a deep understanding of mechanical failure of Si and Sn anodes for Li-ion batteries, and permits the prediction of the composition dependent bulk modulus of various lithiated alloys on the basis of chemical formula, metallic EN and cell volume (or alloy density), with no structural details required.

Superconductivity enhanced by Se doping in Eu3Bi2(S,Se)4F4

NASA Astrophysics Data System (ADS)

Zhang, P.; Zhai, H. F.; Tang, Z. J.; Li, L.; Li, Y. K.; Chen, Q.; Chen, J.; Wang, Z.; Feng, C. M.; Cao, G. H.; Xu, Z. A.

2015-07-01

We investigated the negative-chemical-pressure effect of Eu3Bi2S4-x Se x F4 (0 ≤ x ≤ 2.0) by the partial substitution of S with Se. The crystalline lattice substantially expands as Se is doped, suggesting an effective negative chemical pressure. With Se/S doping, the charge-density-wave-like anomaly is suppressed, and meanwhile the superconducting transition temperature (T_c) is enhanced. For x = 2.0 , T c reaches 3.35 K and bulk superconductivity is confirmed by the strong diamagnetic signal, with shielding volume fraction over 90%. Magnetic-susceptibility, specific-heat and Hall-effect measurements reveal that the Se/S doping increases the carrier density, corresponding to the increase of the average Eu valence. Our work provides a rare paradigm of negative-chemical-pressure effect.

Charge-regularized swelling kinetics of polyelectrolyte gels: Elasticity and diffusion

NASA Astrophysics Data System (ADS)

Sen, Swati; Kundagrami, Arindam

2017-11-01

We apply a recently developed method [S. Sen and A. Kundagrami, J. Chem. Phys. 143, 224904 (2015)], using a phenomenological expression of osmotic stress, as a function of polymer and charge densities, hydrophobicity, and network elasticity for the swelling of spherical polyelectrolyte (PE) gels with fixed and variable charges in a salt-free solvent. This expression of stress is used in the equation of motion of swelling kinetics of spherical PE gels to numerically calculate the spatial profiles for the polymer and free ion densities at different time steps and the time evolution of the size of the gel. We compare the profiles of the same variables obtained from the classical linear theory of elasticity and quantitatively estimate the bulk modulus of the PE gel. Further, we obtain an analytical expression of the elastic modulus from the linearized expression of stress (in the small deformation limit). We find that the estimated bulk modulus of the PE gel decreases with the increase of its effective charge for a fixed degree of deformation during swelling. Finally, we match the gel-front locations with the experimental data, taken from the measurements of charged reversible addition-fragmentation chain transfer gels to show an increase in gel-size with charge and also match the same for PNIPAM (uncharged) and imidazolium-based (charged) minigels, which specifically confirms the decrease of the gel modulus value with the increase of the charge. The agreement between experimental and theoretical results confirms general diffusive behaviour for swelling of PE gels with a decreasing bulk modulus with increasing degree of ionization (charge). The new formalism captures large deformations as well with a significant variation of charge content of the gel. It is found that PE gels with large deformation but same initial size swell faster with a higher charge.

Closer Look at Lunar Highland Crust

NASA Image and Video Library

2012-12-05

This image depicting the porosity of the lunar highland crust was derived using bulk density data from NASA GRAIL mission and independent grain density measurements from NASA Apollo moon mission samples as well as orbital remote-sensing data.

Physical properties of wild mango fruit and nut

NASA Astrophysics Data System (ADS)

Ehiem, J.; Simonyan, K.

2012-02-01

Physical properties of two wild mango varieties were studied at 81.9 and 24.5% moisture (w.b.) for the fruits and nuts, respectively. The shape and size of the fruit are the same while that of nuts differs at P = 0.05. The mass, density and bulk density of the fruits are statistically different at P = 0.05 but the volume is the same. The shape and size, volume and bulk density of the nuts are statistically the same at P = 0.05. The nuts of both varieties are also the same at P = 0.05 in terms of mass and density. The packing factor for both fruits and nut of the two varieties are the same at 0.95. The relevant data obtained for the two varieties would be useful for design and development of machines and equipment for processing and handling operations.

Quantifying the density and utilization of active sites in non-precious metal oxygen electroreduction catalysts

PubMed Central

Sahraie, Nastaran Ranjbar; Kramm, Ulrike I.; Steinberg, Julian; Zhang, Yuanjian; Thomas, Arne; Reier, Tobias; Paraknowitsch, Jens-Peter; Strasser, Peter

2015-01-01

Carbon materials doped with transition metal and nitrogen are highly active, non-precious metal catalysts for the electrochemical conversion of molecular oxygen in fuel cells, metal air batteries, and electrolytic processes. However, accurate measurement of their intrinsic turn-over frequency and active-site density based on metal centres in bulk and surface has remained difficult to date, which has hampered a more rational catalyst design. Here we report a successful quantification of bulk and surface-based active-site density and associated turn-over frequency values of mono- and bimetallic Fe/N-doped carbons using a combination of chemisorption, desorption and 57Fe Mössbauer spectroscopy techniques. Our general approach yields an experimental descriptor for the intrinsic activity and the active-site utilization, aiding in the catalyst development process and enabling a previously unachieved level of understanding of reactivity trends owing to a deconvolution of site density and intrinsic activity. PMID:26486465

Inelastic neutron scattering study of phonon density of states in nanostructured Si1 xGex thermoelectrics

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

Dhital, Chetan; Abernathy, Douglas L; Zhu, Gaohua

2012-01-01

Inelastic neutron scattering measurements are utilized to explore relative changes in the generalized phonon density of states of nanocrystalline Si1 xGex thermoelectric materials prepared via ball-milling and hot-pressing techniques. Dynamic signatures of Ge clustering can be inferred from the data by referencing the resulting spectra to a density functional theoretical model assuming homogeneous alloying via the virtual-crystal approximation. Comparisons are also presented between as-milled Si nanopowder and bulk, polycrystalline Si where a preferential low-energy enhancement and lifetime broadening of the phonon density of states appear in the nanopowder. Negligible differences are however observed between the phonon spectra of bulk Simore » andhot-pressed, nanostructured Si samples suggesting that changes to the single-phonon dynamics above 4 meV play only a secondary role in the modified heat conduction of this compound.« less

Sampling Error in Relation to Cyst Nematode Population Density Estimation in Small Field Plots.

PubMed

Župunski, Vesna; Jevtić, Radivoje; Jokić, Vesna Spasić; Župunski, Ljubica; Lalošević, Mirjana; Ćirić, Mihajlo; Ćurčić, Živko

2017-06-01

Cyst nematodes are serious plant-parasitic pests which could cause severe yield losses and extensive damage. Since there is still very little information about error of population density estimation in small field plots, this study contributes to the broad issue of population density assessment. It was shown that there was no significant difference between cyst counts of five or seven bulk samples taken per each 1-m 2 plot, if average cyst count per examined plot exceeds 75 cysts per 100 g of soil. Goodness of fit of data to probability distribution tested with χ 2 test confirmed a negative binomial distribution of cyst counts for 21 out of 23 plots. The recommended measure of sampling precision of 17% expressed through coefficient of variation ( cv ) was achieved if the plots of 1 m 2 contaminated with more than 90 cysts per 100 g of soil were sampled with 10-core bulk samples taken in five repetitions. If plots were contaminated with less than 75 cysts per 100 g of soil, 10-core bulk samples taken in seven repetitions gave cv higher than 23%. This study indicates that more attention should be paid on estimation of sampling error in experimental field plots to ensure more reliable estimation of population density of cyst nematodes.

Evaluation of risk and benefit in thermal effusivity sensor for monitoring lubrication process in pharmaceutical product manufacturing.

PubMed

Uchiyama, Jumpei; Kato, Yoshiteru; Uemoto, Yoshifumi

2014-08-01

In the process design of tablet manufacturing, understanding and control of the lubrication process is important from various viewpoints. A detailed analysis of thermal effusivity data in the lubrication process was conducted in this study. In addition, we evaluated the risk and benefit in the lubrication process by a detailed investigation. It was found that monitoring of thermal effusivity detected mainly the physical change of bulk density, which was changed by dispersal of the lubricant and the coating powder particle by the lubricant. The monitoring of thermal effusivity was almost the monitoring of bulk density, thermal effusivity could have a high correlation with tablet hardness. Moreover, as thermal effusivity sensor could detect not only the change of the conventional bulk density but also the fractional change of thermal conductivity and thermal capacity, two-phase progress of lubrication process could be revealed. However, each contribution of density, thermal conductivity, or heat capacity to thermal effusivity has the risk of fluctuation by formulation. After carefully considering the change factor with the risk to be changed by formulation, thermal effusivity sensor can be a useful tool for monitoring as process analytical technology, estimating tablet hardness and investigating the detailed mechanism of the lubrication process.

Structure-based coarse-graining for inhomogeneous liquid polymer systems.

PubMed

Fukuda, Motoo; Zhang, Hedong; Ishiguro, Takahiro; Fukuzawa, Kenji; Itoh, Shintaro

2013-08-07

The iterative Boltzmann inversion (IBI) method is used to derive interaction potentials for coarse-grained (CG) systems by matching structural properties of a reference atomistic system. However, because it depends on such thermodynamic conditions as density and pressure of the reference system, the derived CG nonbonded potential is probably not applicable to inhomogeneous systems containing different density regimes. In this paper, we propose a structure-based coarse-graining scheme to devise CG nonbonded potentials that are applicable to different density bulk systems and inhomogeneous systems with interfaces. Similar to the IBI, the radial distribution function (RDF) of a reference atomistic bulk system is used for iteratively refining the CG nonbonded potential. In contrast to the IBI, however, our scheme employs an appropriately estimated initial guess and a small amount of refinement to suppress transfer of the many-body interaction effects included in the reference RDF into the CG nonbonded potential. To demonstrate the application of our approach to inhomogeneous systems, we perform coarse-graining for a liquid perfluoropolyether (PFPE) film coated on a carbon surface. The constructed CG PFPE model favorably reproduces structural and density distribution functions, not only for bulk systems, but also at the liquid-vacuum and liquid-solid interfaces, demonstrating that our CG scheme offers an easy and practical way to accurately determine nonbonded potentials for inhomogeneous systems.

Density of very small meteoroids

NASA Astrophysics Data System (ADS)

Kikwaya Eluo, Jean-Baptiste

2015-08-01

Knowing the density of meteoroids helps to determine the physical structure and gives insight into the composition of their parent bodies. The density of meteoroids can provide clues to their origins, whether cometary or asteroidal. Density helps also to characterize the risk meteoroids may pose to artificial satellites.Ceplecha (1968) calculated the density of small meteoroids based on a parameter KB (meteoroid beginning height) and classified them in four categories (A,B,C,D) with densities going from 2700 to 180 kgm-3.Babadzhanov(2002) applied a model based on quasi-continuous fragmentation (QCF) on 413 photographic Super-Schmidt meteors by solely fitting their light curves. Their densities range from 400 to 7800 kgm-3. Bellot Rubio et al. (2002) analyzed the same 413 photographic meteors assuming the single body theory based on meteoroid dynamical properties and found densities ranging from 400 to 4800 kgm-3. A thermal erosion model was used by Borovicka et al. (2007) to analyze, simultaneously, the observed decelerations and light curves of six Draconid meteors. The density was found to be 300 kgm-3, consistent with the fact that the Draconid meteors are porous aggregates of grains associated with the Jupiter-family-comet 21P/Giacobini-Zinner (Jacchia, L.G., 1950).We used the Campbell-Brown and Koschny (2004) model of meteoroid ablation to determine the density of faint meteoroids from the analysis of both observed decelerations and light curves of meteoroids (Kikwaya et al., 2009; Kikwaya et al., 2011). Our work was based on a collection of six and ninety-two sporadic meteors. The grain masses used in the modeling ranged from 10-12 Kg to 10-9 Kg. We computed the orbit of each meteoroid and determined its Tisserand parameter. We found that meteoroids with asteroidal orbits have bulk densities ranging from 3000-5000 kgm-3. Meteoroids consistent with HTC/NIC parents have bulk densities from 400 kgm-3 to 1600 kg m-3. JFC meteoroids were found to have surprisingly chondritic-like bulk densities, suggesting either the sintering of the meteoroids through evolutionary processes, or the original radial transportation of chondritic materials up to the Kuiper Belt region.

Gravitational potential wells and the cosmic bulk flow

NASA Astrophysics Data System (ADS)

Wang, Yuyu; Kumar, Abhinav; Feldman, Hume; Watkins, Richard

2016-03-01

The bulk flow is a volume average of the peculiar velocities and a useful probe of the mass distribution on large scales. The gravitational instability model views the bulk flow as a potential flow that obeys a Maxwellian Distribution. We use two N-body simulations, the LasDamas Carmen and the Horizon Run, to calculate the bulk flows of various sized volumes in the simulation boxes. Once we have the bulk flow velocities as a function of scale, we investigate the mass and gravitational potential distribution around the volume. We found that matter densities can be asymmetrical and difficult to detect in real surveys, however, the gravitational potential and its gradient may provide better tools to investigate the underlying matter distribution. This study shows that bulk flows are indeed potential flows and thus provides information on the flow sources. We also show that bulk flow magnitudes follow a Maxwellian distribution on scales > 10h-1 Mpc.

Poisson's ratio and the densification of glass under high pressure.

PubMed

Rouxel, T; Ji, H; Hammouda, T; Moréac, A

2008-06-06

Because of a relatively low atomic packing density, (Cg) glasses experience significant densification under high hydrostatic pressure. Poisson's ratio (nu) is correlated to Cg and typically varies from 0.15 for glasses with low Cg such as amorphous silica to 0.38 for close-packed atomic networks such as in bulk metallic glasses. Pressure experiments were conducted up to 25 GPa at 293 K on silica, soda-lime-silica, chalcogenide, and bulk metallic glasses. We show from these high-pressure data that there is a direct correlation between nu and the maximum post-decompression density change.

Simulated glass transition of poly(ethylene oxide) bulk and film: a comparative study.

PubMed

Wu, Chaofu

2011-09-29

Stepwise cooling molecular dynamics (MD) simulations have been carried out on the bulk and film models for poly(ethylene oxide) (PEO) to understand glass transition of amorphous polymer films. Three types of properties--density, energy, and dynamics--are computed and plotted against the temperature for the two systems. It has been confirmed that all these properties can reveal glass transition in both PEO bulk and film systems. All the determined glass transition temperatures (T(g)'s) drop in the same order of magnitude to the experimental data available. Among various methods, the T(g)'s obtained from the density and energy data are close to each other if the same space regions are defined, which can suggest the same free volume theory, and dynamic T(g)'s obtained from mean-squared displacements (MSDs) are highest, which can suggest the kinetic theory for structural relaxation. Consistently, all these T(g)'s obtained using different methods show that the T(g)'s of PEO film are lower than those of PEO bulk. The free surface layers of polymer films dictate this offset. © 2011 American Chemical Society

Electronic and Optical Properties of Titanium Nitride Bulk and Surfaces from First Principles Calculations (Postprint)

DTIC Science & Technology

2015-11-18

thickness of the film, or substrate. In this work, we report calculations for titanium nitride ( TiN ), a promising material for plasmonic applications...stoichiometric bulk TiN , as well as of the TiN (100), TiN (110), and TiN (111) outermost surfaces. Density functional theory (DFT) and many-body GW methods...and the band structure for bulk TiN were shown to be consistent with previous work. Calculated dielectric functions, plasma frequencies, reflectivity

Novel strategy to improve the Li-storage performance of micro silicon anodes

NASA Astrophysics Data System (ADS)

Choi, Min-Jae; Xiao, Ying; Hwang, Jang-Yeon; Belharouak, Ilias; Sun, Yang-Kook

2017-04-01

Silicon (Si)-based materials have attracted significant research as an outstanding candidate for the anode material of lithium-ion batteries. However, the tremendous volume change and poor electron conductivity of bulk silicon result in inferior capacity retention and low Coulombic efficiency. Designing special Si with high energy density and good stability in a bulk electrode remains a significant challenge. In this work, we introduce an ingenious strategy to modify micro silicon by designing a porous structure, constructing nanoparticle blocks, and introducing carbon nanotubes as wedges. A disproportion reaction, coupled with a chemical etching process and a ball-milling reaction, are applied to generate the desired material. The as-prepared micro silicon material features porosity, small primary particles, and effective CNT-wedging, which combine to endow the resultant anode with a high reversible specific capacity of up to 2028.6 mAh g-1 after 100 cycles and excellent rate capability. The superior electrochemical performance is attributed to the unique architecture and optimized composition.

UCB current detector experiment on Swedish auroral payloads. [ionospheric current and plasma flow measurements

NASA Technical Reports Server (NTRS)

Mozer, F.

1974-01-01

A split Langmuir probe has been developed to make in situ measurements of ionospheric current density and plasma bulk flow. The probe consists of two conducting elements that are separated by a thin insulator that shield each other over a 2 pi solid angle, and that are simultaneously swept from negative to positive with respect to the plasma. By measuring the current to each plate and the difference current between plates, information is obtained on the plasma's current density, bulk flow, electron temperature, and density. The instrument was successfully flown twice on sounding rockets into auroral events. Measurement data indicate that the total auroral current configuration is composed of several alternating east and west electrojets associated with several alternating up and down Birkeland currents.

Concentration specific and tunable photoresponse of bismuth vanadate functionalized hexagonal ZnO nanocrystals based photoanodes for photoelectrochemical application

NASA Astrophysics Data System (ADS)

Singh, Sonal; Ruhela, Aakansha; Rani, Sanju; Khanuja, Manika; Sharma, Rishabh

2018-02-01

In the present work, dual layer BiVO4/ZnO photoanode is instigated for photo-electrochemical (PEC) water splitting applications. Two different photocatalytic layers ZnO and BiVO4, reduces charge carrier recombination and charge transfer resistance at photoanode/electrolyte junction. The concentration-specific, tunable and without 'spike and overshoot' features, photocurrent density response is originated by varying BiVO4 concentration in the BiVO4/ZnO photoanode. The crystal structure of ZnO (hexagonal wurtzite structure) and BiVO4 (monoclinic scheelite structure) is confirmed by X-ray diffraction studies. The band gap of BiVO4/ZnO was estimated to be ca. 2.42 eV through Kubler-Munk function F(R∞) using diffuse reflectance spectroscopy. Electrochemical behavior of samples was analyzed with photocurrent measurements, electrochemical impedance, Mott-Schottky plots, bulk separation efficiency and surface transfer efficiency. The maximum photocurrent density of BiVO4/ZnO photoanode was found to be 2.3 times higher than pristine ZnO sample.0.038 M BiVO4/ZnO exhibited the highest separation efficiency of 72% and surface transfer efficiency of 64.7% at +1.23 V vs. RHE. Mott-Schottky study revealed the maximum charge carrier density in the same sample.

Exchange Stiffness in Thin-Film Cobalt Alloys

NASA Astrophysics Data System (ADS)

Eyrich, Charles

The exchange stiffness, Aex, is one of the key parameters controlling magnetization reversal in magnetic materials but is very difficult to measure, especially in thin films. We developed a new technique for measuring the exchange stiffness of a magnetic material based on the formation of a spin spiral within two antiferromagnetically coupled ferromagnetic films [1]. Using this method, I was able to measure the exchange stiffness of thin film Co alloyed with Cr, Fe, Ni, Pd, Pt and Ru. The results of this work showed that the rate at which a substituent element reduces the exchange stiffness is not directly related to its effect on the magnetization of the alloy. These measured trends have been understood by combining measurements of element specific magnetic moments obtained using X-ray magnetic circular dichroism (XMCD) and material specific modeling based on density functional theory (DFT) within the local density approximation (LDA). The experimental results also hint at significant reduction of the exchange stiffness at the interface that can account for the difference between our results and those obtained on bulk materials.

Quantum mechanical/molecular mechanical modeling finds Diels-Alder reactions are accelerated less on the surface of water than in water.

PubMed

Thomas, Laura L; Tirado-Rives, Julian; Jorgensen, William L

2010-03-10

Quantum and molecular mechanics calculations for the Diels-Alder reactions of cyclopentadiene with 1,4-naphthoquinone, methyl vinyl ketone, and acrylonitrile have been carried out at the vacuum-water interface and in the gas phase. In conjunction with previous studies of these cycloadditions in dilute solution, a more complete picture of aqueous environmental effects emerges with implications for the origin of observed rate accelerations using heterogeneous aqueous suspensions, "on water" conditions. The pure TIP4P water slab maintains the bulk density and hydrogen-bonding properties in central water layers. The bulk region merges to vacuum over a ca. 5 A band with progressive diminution of the density and hydrogen bonding. The relative free energies of activation and transition structures for the reactions at the interface are found to be intermediate between those calculated in the gas phase and in bulk water; i.e., for the reaction with 1,4-naphthoquinone, the DeltaDeltaG(++) values relative to the gas phase are -3.6 and -7.3 kcal/mol at the interface and in bulk water, respectively. Thus, the results do not support the notion that a water surface is more effective than bulk water for catalysis of such pericyclic reactions. The trend is in qualitative agreement with expectations based on density considerations and estimates of experimental rate constants for the gas phase, a heterogeneous aqueous suspension, and a dilute aqueous solution for the reaction of cyclopentadiene with methyl vinyl ketone. Computed energy pair distributions reveal a uniform loss of 0.5-1.0 hydrogen bond for the reactants and transition states in progressing from bulk water to the vacuum-water interface. Orientational effects are apparent at the surface; e.g., the carbonyl group in the methyl vinyl ketone transition structure is preferentially oriented into the surface. Also, the transition structure for the 1,4-naphthoquinone case is buried more in the surface, and the free energy of activation for this reaction is most similar to the result in bulk water.

High pressure-resistant nonincendive emulsion explosive

DOEpatents

Ruhe, Thomas C.; Rao, Pilaka P.

1994-01-01

An improved emulsion explosive composition including hollow microspheres/bulking agents having high density and high strength. The hollow microspheres/bulking agents have true particle densities of about 0.2 grams per cubic centimeter or greater and include glass, siliceous, ceramic and synthetic resin microspheres, expanded minerals, and mixtures thereof. The preferred weight percentage of hollow microspheres/bulking agents in the composition ranges from 3.0 to 10.0 A chlorinated paraffin oil, also present in the improved emulsion explosive composition, imparts a higher film strength to the oil phase in the emulsion. The emulsion is rendered nonincendive by the production of sodium chloride in situ via the decomposition of sodium nitrate, a chlorinated paraffin oil, and sodium perchlorate. The air-gap sensitivity is improved by the in situ formation of monomethylamine perchlorate from dissolved monomethylamine nitrate and sodium perchlorate. The emulsion explosive composition can withstand static pressures to 139 bars and dynamic pressure loads on the order of 567 bars.

Bandgap tuning and enhancement of seebeck coefficient in one dimensional GeSe

NASA Astrophysics Data System (ADS)

Kagdada, Hardik L.; Dabhi, Shweta D.; Jha, Prafulla K.

2018-04-01

The first principles based density functional theory is used for tuning the electronic bandgap and thermoelectric properties of bulk, two dimensional (2D) and one dimensional (1D) GeSe. There is an increase in the bandgap going from bulk to 1D with indirect to direct bandgap transition. There is a dramatic change in Seebeck coefficient (S) for GeSe going from bulk to 1D at 300 K. The electrical conductivity and electronic thermal conductivity are lower for 1D GeSe compared to the bulk GeSe due to larger bandgap in the case of 1D GeSe.

How serious a problem is subsoil compaction in the Netherlands? A survey based on probability sampling

NASA Astrophysics Data System (ADS)

Brus, Dick J.; van den Akker, Jan J. H.

2018-02-01

Although soil compaction is widely recognized as a soil threat to soil resources, reliable estimates of the acreage of overcompacted soil and of the level of soil compaction parameters are not available. In the Netherlands data on subsoil compaction were collected at 128 locations selected by stratified random sampling. A map showing the risk of subsoil compaction in five classes was used for stratification. Measurements of bulk density, porosity, clay content and organic matter content were used to compute the relative bulk density and relative porosity, both expressed as a fraction of a threshold value. A subsoil was classified as overcompacted if either the relative bulk density exceeded 1 or the relative porosity was below 1. The sample data were used to estimate the means of the two subsoil compaction parameters and the overcompacted areal fraction. The estimated global means of relative bulk density and relative porosity were 0.946 and 1.090, respectively. The estimated areal fraction of the Netherlands with overcompacted subsoils was 43 %. The estimates per risk map unit showed two groups of map units: a low-risk group (units 1 and 2, covering only 4.6 % of the total area) and a high-risk group (units 3, 4 and 5). The estimated areal fraction of overcompacted subsoil was 0 % in the low-risk unit and 47 % in the high-risk unit. The map contains no information about where overcompacted subsoils occur. This was caused by the poor association of the risk map units 3, 4 and 5 with the subsoil compaction parameters and subsoil overcompaction. This can be explained by the lack of time for recuperation.

Controls on the spatial variability of key soil properties: comparing field data with a mechanistic soilscape evolution model

NASA Astrophysics Data System (ADS)

Vanwalleghem, T.; Román, A.; Giraldez, J. V.

2016-12-01

There is a need for better understanding the processes influencing soil formation and the resulting distribution of soil properties. Soil properties can exhibit strong spatial variation, even at the small catchment scale. Especially soil carbon pools in semi-arid, mountainous areas are highly uncertain because bulk density and stoniness are very heterogeneous and rarely measured explicitly. In this study, we explore the spatial variability in key soil properties (soil carbon stocks, stoniness, bulk density and soil depth) as a function of processes shaping the critical zone (weathering, erosion, soil water fluxes and vegetation patterns). We also compare the potential of a geostatistical versus a mechanistic soil formation model (MILESD) for predicting these key soil properties. Soil core samples were collected from 67 locations at 6 depths. Total soil organic carbon stocks were 4.38 kg m-2. Solar radiation proved to be the key variable controlling soil carbon distribution. Stone content was mostly controlled by slope, indicating the importance of erosion. Spatial distribution of bulk density was found to be highly random. Finally, total carbon stocks were predicted using a random forest model whose main covariates were solar radiation and NDVI. The model predicts carbon stocks that are double as high on north versus south-facing slopes. However, validation showed that these covariates only explained 25% of the variation in the dataset. Apparently, present-day landscape and vegetation properties are not sufficient to fully explain variability in the soil carbon stocks in this complex terrain under natural vegetation. This is attributed to a high spatial variability in bulk density and stoniness, key variables controlling carbon stocks. Similar results were obtained with the mechanistic soil formation model MILESD, suggesting that more complex models might be needed to further explore this high spatial variability.

Constraining the Bulk Density of 10m-Class Near-Earth Asteroid 2012 LA

NASA Astrophysics Data System (ADS)

Mommert, Michael; Hora, Joseph; Farnocchia, Davide; Trilling, David; Chesley, Steve; Harris, Alan; Mueller, Migo; Smith, Howard

2016-08-01

The physical properties of near-Earth asteroids (NEAs) provide important hints on their origin, as well as their past physical and orbital evolution. Recent observations seem to indicate that small asteroids are different than expected: instead of being monolithic bodies, some of them instead resemble loose conglomerates of smaller rocks, so called 'rubble piles'. This is surprising, since self-gravitation is practically absent in these bodies. Hence, bulk density measurements of small asteroids, from which their internal structure can be estimated, provide unique constraints on asteroid physical models, as well as models for asteroid evolution. We propose Spitzer Space Telescope observations of 10 m-sized NEA 2012 LA, which will allow us to constrain the diameter, albedo, bulk density, macroporosity, and mass of this object. We require 30 hrs of Spitzer time to detect our target with a minimum SNR of 3 in CH2. In order to interpret our observational results, we will use the same analysis technique that we used in our successful observations and analyses of tiny asteroids 2011 MD and 2009 BD. Our science goal, which is the derivation of the target's bulk density and its internal structure, can only be met with Spitzer. Our observations will produce only the third comprehensive physical characterization of an asteroid in the 10m size range (all of which have been carried out by our team, using Spitzer). Knowledge of the physical properties of small NEAs, some of which pose an impact threat to the Earth, is of importance for understanding their evolution and estimating the potential of destruction in case of an impact, as well as for potential manned missions to NEAs for either research or potential commercial uses.

Polder maps: Improving OMIT maps by excluding bulk solvent

DOE PAGES

Liebschner, Dorothee; Afonine, Pavel V.; Moriarty, Nigel W.; ...

2017-02-01

The crystallographic maps that are routinely used during the structure-solution workflow are almost always model-biased because model information is used for their calculation. As these maps are also used to validate the atomic models that result from model building and refinement, this constitutes an immediate problem: anything added to the model will manifest itself in the map and thus hinder the validation. OMIT maps are a common tool to verify the presence of atoms in the model. The simplest way to compute an OMIT map is to exclude the atoms in question from the structure, update the corresponding structure factorsmore » and compute a residual map. It is then expected that if these atoms are present in the crystal structure, the electron density for the omitted atoms will be seen as positive features in this map. This, however, is complicated by the flat bulk-solvent model which is almost universally used in modern crystallographic refinement programs. This model postulates constant electron density at any voxel of the unit-cell volume that is not occupied by the atomic model. Consequently, if the density arising from the omitted atoms is weak then the bulk-solvent model may obscure it further. A possible solution to this problem is to prevent bulk solvent from entering the selected OMIT regions, which may improve the interpretative power of residual maps. This approach is called a polder (OMIT) map. Polder OMIT maps can be particularly useful for displaying weak densities of ligands, solvent molecules, side chains, alternative conformations and residues both in terminal regions and in loops. As a result, the tools described in this manuscript have been implemented and are available in PHENIX.« less

Developmental morphology of cover crop species exhibit contrasting behaviour to changes in soil bulk density, revealed by X-ray computed tomography

PubMed Central

Burr-Hersey, Jasmine E.; Mooney, Sacha J.; Bengough, A. Glyn; Mairhofer, Stefan

2017-01-01

Plant roots growing through soil typically encounter considerable structural heterogeneity, and local variations in soil dry bulk density. The way the in situ architecture of root systems of different species respond to such heterogeneity is poorly understood due to challenges in visualising roots growing in soil. The objective of this study was to visualise and quantify the impact of abrupt changes in soil bulk density on the roots of three cover crop species with contrasting inherent root morphologies, viz. tillage radish (Raphanus sativus), vetch (Vicia sativa) and black oat (Avena strigosa). The species were grown in soil columns containing a two-layer compaction treatment featuring a 1.2 g cm-3 (uncompacted) zone overlaying a 1.4 g cm-3 (compacted) zone. Three-dimensional visualisations of the root architecture were generated via X-ray computed tomography, and an automated root-segmentation imaging algorithm. Three classes of behaviour were manifest as a result of roots encountering the compacted interface, directly related to the species. For radish, there was switch from a single tap-root to multiple perpendicular roots which penetrated the compacted zone, whilst for vetch primary roots were diverted more horizontally with limited lateral growth at less acute angles. Black oat roots penetrated the compacted zone with no apparent deviation. Smaller root volume, surface area and lateral growth were consistently observed in the compacted zone in comparison to the uncompacted zone across all species. The rapid transition in soil bulk density had a large effect on root morphology that differed greatly between species, with major implications for how these cover crops will modify and interact with soil structure. PMID:28753645

Developmental morphology of cover crop species exhibit contrasting behaviour to changes in soil bulk density, revealed by X-ray computed tomography.

PubMed

Burr-Hersey, Jasmine E; Mooney, Sacha J; Bengough, A Glyn; Mairhofer, Stefan; Ritz, Karl

2017-01-01

Plant roots growing through soil typically encounter considerable structural heterogeneity, and local variations in soil dry bulk density. The way the in situ architecture of root systems of different species respond to such heterogeneity is poorly understood due to challenges in visualising roots growing in soil. The objective of this study was to visualise and quantify the impact of abrupt changes in soil bulk density on the roots of three cover crop species with contrasting inherent root morphologies, viz. tillage radish (Raphanus sativus), vetch (Vicia sativa) and black oat (Avena strigosa). The species were grown in soil columns containing a two-layer compaction treatment featuring a 1.2 g cm-3 (uncompacted) zone overlaying a 1.4 g cm-3 (compacted) zone. Three-dimensional visualisations of the root architecture were generated via X-ray computed tomography, and an automated root-segmentation imaging algorithm. Three classes of behaviour were manifest as a result of roots encountering the compacted interface, directly related to the species. For radish, there was switch from a single tap-root to multiple perpendicular roots which penetrated the compacted zone, whilst for vetch primary roots were diverted more horizontally with limited lateral growth at less acute angles. Black oat roots penetrated the compacted zone with no apparent deviation. Smaller root volume, surface area and lateral growth were consistently observed in the compacted zone in comparison to the uncompacted zone across all species. The rapid transition in soil bulk density had a large effect on root morphology that differed greatly between species, with major implications for how these cover crops will modify and interact with soil structure.

Effects of extrusion variables on the properties of waxy hulless barley extrudates.

PubMed

Köksel, Hamit; Ryu, Gy-Hyung; Başman, Arzu; Demiralp, Hande; Ng, Perry K W

2004-02-01

The objective of this research was to investigate the extrudability of waxy hulless barley flour under various extrusion conditions. Waxy hulless barley flour was processed in a laboratory-scale corotating twin-screw extruder with different levels of feed moisture content (22.3, 26.8, and 30.7%) and die temperature (130, 150, and 170 degrees C) to develop a snack food with high beta-glucan content. The effects of extrusion condition variables (screw configuration, moisture, and temperature) on the system variables (pressure and specific mechanical energy), the extrudate physical properties (sectional expansion index, bulk density), starch gelatinization, pasting properties (cold peak viscosity, trough viscosity, and final viscosity), and beta-glucan contents were determined. Results were evaluated by using response surface methodology. Increased extrusion temperature and feed moisture content resulted in decreases in exit die pressure and specific mechanical energy values. For extrudates extruded under low shear screw configuration (LS), increased barrel temperature decreased sectional expansion index (SEI) values at both low and high moisture contents. The feed moisture seems to have an inverse relationship with SEI over the range studied. Bulk density was higher at higher moisture contents, for both low and high barrel temperatures, for samples extruded under high shear screw configuration (HS) and LS. Cold peak viscosities (CV) were observed in all samples. The CV increased with the increase in extrusion temperature and feed moisture content. Although beta-glucan contents of the LS extrudates were comparable to that of barley flour sample, HS samples had generally lower beta-glucan contents. The extrusion cooking technique seems to be promising for the production of snack foods with high beta-glucan content, especially using LS conditions.

Preparation, glass forming ability, crystallization and deformation of (zirconium, hafnium)-copper-nickel-aluminum-titanium-based bulk metallic glasses

NASA Astrophysics Data System (ADS)

Gu, Xiaofeng

Multicomponent Zr-based bulk metallic glasses are the most promising metallic glass forming systems. They exhibit great glass forming ability and fascinating mechanical properties, and thus are considered as potential structural materials. One potential application is that they could be replacements of the depleted uranium for making kinetic energy armor-piercing projectiles, but the density of existing Zr-based alloys is too low for this application. Based on the chemical and crystallographic similarities between Zr and Hf, we have developed two series of bulk metallic glasses with compositions of (HfxZr1-x) 52.5Cu17.9Ni14.6Al10Ti5 and (HfxZr1-x) 57Cu20Ni8Al10Ti5 ( x = 0--1) by gradually replacing Zr by Hf. Remarkably increased density and improved mechanical properties have been achieved in these alloys. In these glasses, Hf and Zr play an interchangeable role in determining the short range order. Although the glass forming ability decreases continuously with Hf addition, most of these alloys remain bulk glass-forming. Recently, nanocomposites produced from bulk metallic glasses have attracted wide attention due to improved mechanical properties. However, their crystalline microstructure (the grain size and the crystalline volume fraction) has to be optimized. We have investigated crystallization of (Zr, Hf)-based bulk metallic glasses, including the composition dependence of crystallization paths and crystallization mechanisms. Our results indicate that the formation of high number density nanocomposites from bulk metallic glasses can be attributed to easy nucleation and slowing-down growth processes, while the multistage crystallization behavior makes it more convenient to control the microstructure evolution. Metallic glasses are known to exhibit unique plastic deformation behavior. At low temperature and high stress, plastic flow is localized in narrow shear bands. Macroscopic investigations of shear bands (e.g., chemical etching) suggest that the internal structure of shear bands is different from that of undeformed surroundings, but the direct structural characterization of shear bands down to the atomic level has been lacking. In this work, we have used transmission electron microscopy to explore the structural and chemical changes inside the shear bands. Nanometer-scale defects (void-like and high density regions) have been identified as a result of plastic deformation. It is these defects that distinguish shear bands from undeformed regions. Processes occurring in an active shear band and after stress removal are analogous to a thermally activated relaxation except that the relaxation time is much shorter in the former case.

First-principles calculations of the structural, electronic, optical and thermal properties of the BNxAs1-x alloys

NASA Astrophysics Data System (ADS)

Hamioud, L.; Boumaza, A.; Touam, S.; Meradji, H.; Ghemid, S.; El Haj Hassan, F.; Khenata, R.; Omran, S. Bin

2016-06-01

The present paper aims to study the structural, electronic, optical and thermal properties of the boron nitride (BN) and BAs bulk materials as well as the BNxAs1-x ternary alloys by employing the full-potential-linearised augmented plane wave method within the density functional theory. The structural properties are determined using the Wu-Cohen generalised gradient approximation that is based on the optimisation of the total energy. For band structure calculations, both the Wu-Cohen generalised gradient approximation and the modified Becke-Johnson of the exchange-correlation energy and potential, respectively, are used. We investigated the effect of composition on the lattice constants, bulk modulus and band gap. Deviations of the lattice constants and the bulk modulus from the Vegard's law and the linear concentration dependence, respectively, were observed for the alloys where this result allows us to explain some specific behaviours in the electronic properties of the alloys. For the optical properties, the calculated refractive indices and the optical dielectric constants were found to vary nonlinearly with the N composition. Finally, the thermal effect on some of the macroscopic properties was predicted using the quasi-harmonic Debye model in which the lattice vibrations are taken into account.

Bulk to nanostructured vanadium pentaoxide-nanowires (V2O5-NWs) for high energy density supercapacitors

NASA Astrophysics Data System (ADS)

Ahirrao, Dinesh J.; Mohanapriya., K.; Jha, Neetu

2018-04-01

Vanadium pentoxide (V2O5) has attracted huge attention in field of energy storage including supercapacitor electrodes due to its low cost and layered structure. In this present study, Bulk V2O5 has been prepared by the calcination of ammonium metavanadate followed by the synthesis of V2O5-nanowires (V2O5-NWs) by hydrothermal treatment of bulk V2O5. Obtained V2O5-NWs was further used to fabricate the supercapacitor electrodes. Structure and morphology analyzed by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and Transmission electron microscopy (TEM). Energy storage capability of as prepared nanowires was investigated by Galvanostatic charge-discharge (GCD), cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) in aqueous electrolyte (1M H2SO4). High specific capacitantance of about 622 F/g was achieved at 1 A/g. Along with high storage by faradic charge storage mechanism; V2O5-NWs electrodes also possess high stability. It could retain 63% of its initial capacitance even after 1000 GCD cycles. Excellent performance of V2O5-NWs promotes its commercial utilization for the development of high performance supercapacitors.

Optimizing the physical-chemical properties of carbon nanotubes (CNT) and graphene nanoplatelets (GNP) on Cu(II) adsorption.

PubMed

Rosenzweig, Shirley; Sorial, George A; Sahle-Demessie, Endalkachew; McAvoy, Drew C

2014-08-30

Systematic experiments of copper adsorption on 10 different commercially available nanomaterials were studied for the influence of physical-chemical properties and their interactions. Design of experiment and response surface methodology was used to develop a polynomial model to predict maximum copper adsorption (initial concentration, Co=10mg/L) per mass of nanomaterial, qe, using multivariable regression and maximum R-square criterion. The best subsets of properties to predict qe in order of significant contribution to the model were: bulk density, ID, mesopore volume, tube length, pore size, zeta-charge, specific surface area and OD. The highest experimental qe observed was for an alcohol-functionalized MWCNT (16.7mg/g) with relative high bulk density (0.48g/cm(3)), ID (2-5nm), 10-30μm long and OD<8nm. Graphene nanoplatelets (GNP) showed poor adsorptive capacity associated to stacked-nanoplatelets, but good colloidal stability due to high functionalized surface. Good adsorption results for pristine SWCNT indicated that tubes with small diameter were more associated with good adsorption than functionalized surface. XPS and ICP analysis explored surface chemistry and purity, but pHpzc and zeta-charge were ultimately applied to indicate the degree of functionalization. Optimum CNT were identified in the scatter plot, but actual manufacturing processes introduced size and shape variations which interfered with final property results. Copyright © 2014 Elsevier B.V. All rights reserved.

Toward Automated Benchmarking of Atomistic Force Fields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data Archive.

PubMed

Beauchamp, Kyle A; Behr, Julie M; Rustenburg, Ariën S; Bayly, Christopher I; Kroenlein, Kenneth; Chodera, John D

2015-10-08

Atomistic molecular simulations are a powerful way to make quantitative predictions, but the accuracy of these predictions depends entirely on the quality of the force field employed. Although experimental measurements of fundamental physical properties offer a straightforward approach for evaluating force field quality, the bulk of this information has been tied up in formats that are not machine-readable. Compiling benchmark data sets of physical properties from non-machine-readable sources requires substantial human effort and is prone to the accumulation of human errors, hindering the development of reproducible benchmarks of force-field accuracy. Here, we examine the feasibility of benchmarking atomistic force fields against the NIST ThermoML data archive of physicochemical measurements, which aggregates thousands of experimental measurements in a portable, machine-readable, self-annotating IUPAC-standard format. As a proof of concept, we present a detailed benchmark of the generalized Amber small-molecule force field (GAFF) using the AM1-BCC charge model against experimental measurements (specifically, bulk liquid densities and static dielectric constants at ambient pressure) automatically extracted from the archive and discuss the extent of data available for use in larger scale (or continuously performed) benchmarks. The results of even this limited initial benchmark highlight a general problem with fixed-charge force fields in the representation low-dielectric environments, such as those seen in binding cavities or biological membranes.

Contributions of organic and inorganic matter to sediment volume and accretion in tidal wetlands at steady state

EPA Science Inventory

A mixing model derived from first principles describes the bulk density (BD) of intertidal wetland sediments as a function of loss on ignition (LOI). The model assumes the bulk volume of sediment equates to the sum of self-packing volumes of organic and mineral components or BD =...

The Porosity of 433 Eros

NASA Technical Reports Server (NTRS)

Britt, D. T.; Yeomans, Donald K.; Consolmagno, G. J.

2001-01-01

Data from the NEAR mission show the bulk density of 433 Eros is 2.67 g/cm 3 . Given an L or LL composition, the bulk porosity of Eros is in the range of 25-29% and the macroporosity is 14-18%. This is consistent with a fractured, but coherent asteroid. Additional information is contained in the original extended abstract.

Laboratory Characterization of Talley Brick

DTIC Science & Technology

2011-08-01

specimen’s wet, bulk, or “as-tested” density. Results from these determinations are provided in Table 1. Measurements of posttest water content1...ASTM 2005d). Based on the appropriate values of posttest water content, wet density, and an assumed grain density of 2.89 Mg/m3, values of dry... Posttest Axial P Radial P Axial S Radial S Wet Water Dry Degree of ’Wave ’Wave ’Wave \\Vave Test Density Conte-nt, Density, Porosity, Saturation

Physicochemical properties and carbon density of alpine sod layer with their variation across habitat gradients in the Zoige Plateau

NASA Astrophysics Data System (ADS)

Peixi, Su; Zijuan, Zhou; Rui, Shi; tingting, Xie

2017-04-01

The alpine sod layer is a soft, tough and resistant to shifting surface soil layer under the formation of the natural vegetation in the plateau cold region, understanding its ecological function is a prerequisite to promote grass and animal husbandry production for recuperation and protection, and the active use of project construction. Based on the extensive investigation on the alpine vegetation of the Zoige Plateau in the Eastern Qinghai-Tibetan Plateau of China, set up moisture gradient community sample plots: swamp, degraded swamp, swampy meadow, wet meadow, dry meadow and degraded meadow, and the elevation gradient community sample plots: subalpine meadow, subalpine shrub meadow, alpine shrub meadow and alpine meadow were set up. The sod layer bulk density, soil particle composition and soil organic carbon (SOC) content of different types of community plots were analyzed and to compare its carbon sequestration capacity on the moisture and elevation gradients. The results showed that the average thickness of the sod layer was 30 cm, the bulk density of the swamp was the smallest, and the SOC content was above 300 g/kg. The bulk density of degraded meadow was the highest while its SOC content was decreased significantly. The SOC density of sod layer in different communities was between 10 and 24 kg C/m2, and decreased with the decreasing of soil water availability, and meadow degradation significantly decreased the soil organic carbon storage in sod layer. The sod layer SOC density of alpine shrub meadow was 15% higher than that of meadow on the altitudinal gradient. It was concluded that the mass water content threshold value for maintaining the sod layer stable is 30%. In the degraded succession of alpine vegetation from swamp to meadow, the bulk density and compactness of sod layer became larger, while the organic carbon content, carbon density and carbon storage decreased. The higher the gravel content of swamp, the more easily degraded, and the higher the sand content of the meadow, the more easily degraded. Shrub meadow had higher carbon sequestration capacity than that of meadow, but the productive function of shrub meadow was lower. Keeping the sustainable development of grassland productivity and maintaining the carbon sequestration ecological function, it is necessary to prevent the degradation of the sod layer, and restrain the succession from meadow to scrub meadow. Key Words: surface soil layer, soil organic carbon, carbon density, alpine vegetation, Zoige Plateau

Habitat management affects soil chemistry and allochthonous organic inputs mediating microbial structure and exo-enzyme activity in Wadden Sea salt-marsh soils

NASA Astrophysics Data System (ADS)

Mueller, Peter; Granse, Dirk; Thi Do, Hai; Weingartner, Magdalena; Nolte, Stefanie; Hoth, Stefan; Jensen, Kai

2016-04-01

The Wadden Sea (WS) region is Europe's largest wetland and home to approximately 20% of its salt marsh area. Mainland salt marshes of the WS are anthropogenically influenced systems and have traditionally been used for livestock grazing in wide parts. After foundation of WS National Parks in the late 1980s and early 1990s, artificial drainage has been abandoned; however, livestock grazing is still common in many areas of the National Parks and is under ongoing discussion as a habitat-management practice. While studies so far focused on effects of livestock grazing on biodiversity, little is known about how biogeochemical processes, element cycling, and particularly carbon sequestration are affected. Here, we present data from a recent field study focusing on grazing effects on soil properties, microbial exo-enzyme activity, microbial abundance and structure. Exo-enzyme activity was studied conducting digestive enzyme assays for various enzymes involved in C- and N cycling. Microbial abundance and structure was assessed measuring specific gene abundance of fungi and bacteria using quantitative PCR. Soil compaction induced by grazing led to higher bulk density and decreases in soil redox (Δ >100 mV). Soil pH was significantly lower in grazed parts. Further, the proportion of allochthonous organic matter (marine input) was significantly smaller in grazed vs. ungrazed sites, likely caused by a higher sediment trapping capacity of the taller vegetation in the ungrazed sites. Grazing induced changes in bulk density, pH and redox resulted in reduced activity of enzymes involved in microbial C acquisition; however, there was no grazing effect on enzymes involved in N acquisition. While changes in pH, bulk density or redox did not affect microbial abundance and structure, the relative amount of marine organic matter significantly reduced the relative abundance of fungi (F:B ratio). We conclude that livestock grazing directly affects microbial exo-enzyme activity, thus slowing down C turnover, and indirectly changes microbial structure, namely relative fungal abundance, by reducing high-quality marine organic matter inputs.

Poisson's Ratio and the Densification of Glass under High Pressure

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

Rouxel, T.; Ji, H.; Hammouda, T.

2008-06-06

Because of a relatively low atomic packing density, (C{sub g}) glasses experience significant densification under high hydrostatic pressure. Poisson's ratio ({nu}) is correlated to C{sub g} and typically varies from 0.15 for glasses with low C{sub g} such as amorphous silica to 0.38 for close-packed atomic networks such as in bulk metallic glasses. Pressure experiments were conducted up to 25 GPa at 293 K on silica, soda-lime-silica, chalcogenide, and bulk metallic glasses. We show from these high-pressure data that there is a direct correlation between {nu} and the maximum post-decompression density change.

Density controls the kinetic stability of ultrastable glasses

NASA Astrophysics Data System (ADS)

Fullerton, Christopher J.; Berthier, Ludovic

2017-08-01

We use a swap Monte Carlo algorithm to numerically prepare bulk glasses with kinetic stability comparable to that of glass films produced experimentally by physical vapor deposition. By melting these systems into the liquid state, we show that some of our glasses retain their amorphous structures longer than 105 times the equilibrium structural relaxation time. This “exceptional” kinetic stability cannot be achieved for bulk glasses produced by slow cooling. We perform simulations at both constant volume and constant pressure to demonstrate that the density mismatch between the ultrastable glass and the equilibrium liquid accounts for a major part of the observed kinetic stability.

Nondestructive laboratory measurement of geotechnical and geoacoustic properties through intact core-liner

USGS Publications Warehouse

Kayen, R.E.; Edwards, B.D.; Lee, H.J.

1999-01-01

High-resolution automated measurement of the geotechnical and geoacoustic properties of soil at the U.S. Geological Survey (USGS) is performed with a state-of-the-art multi-sensor whole-core logging device. The device takes measurements, directly through intact sample-tube wall, of p-wave acoustic velocity, of soil wet bulk density, and magnetic susceptibility. This paper summarizes our methodology for determining soil-sound speed and wet-bulk density for material encased in an unsplit liner. Our methodology for nondestructive measurement allows for rapid, accurate, and high-resolution (1 cm-spaced) mapping of the mass physical properties of soil prior to sample extrusion.

Physical and chemical properties of some new perfluoropolyalkylether lubricants prepared by direct fluorination

NASA Technical Reports Server (NTRS)

Jones, W. R., Jr.; Bierschenk, T. R.; Juhlke, T. J.; Kawa, H.; Lagow, R. J.

1993-01-01

A series of perfluoropolyalkylether (PFPAE) fluids was synthesized by direct fluorination. Viscosity-temperature properties, oxidation stabilities, oxidation-corrosion properties, bulk modulus, lubricity, surface tension and density were measured. It was shown that as the carbon to oxygen ratio in the polymer repeating unit decreases, the viscometric properties improve, the fluids may become poorer boundary lubricants, the bulk modulus increases, the surface tension increases and the fluid density increases. The presence of difluoromethylene oxide units in the polymer does not significantly lower the oxidation and oxidation-corrosion stabilities as long as the difluoromethylene oxide units are separated by other units.

Application of response surface methodology for studying the product characteristics of extruded rice-cowpea-groundnut blends.

PubMed

Asare, Emmanuel Kwasi; Sefa-Dedeh, Samuel; Sakyi-Dawson, Esther; Afoakwa, Emmanuel Ohene

2004-08-01

Response surface methodology (with central composite rotatable design for k=3) was used to investigate the product properties of extruded rice-cowpea-groundnut blends in a single screw extruder. The combined effect of cowpea (0-20%), groundnut (0-10%), and feed moisture (14-48%) levels were used for formulation of the products. The product moisture, expansion ratio, bulk density and total colour change were studied using standard analytical methods. Well-expanded rice-legume blend extrudates of less bulk density and lower moisture content were produced at low feed moisture. Increasing legume addition affected the various shades of colour in the product. Models developed for the indices gave R(2) values ranging from 52.8% (for the b-value) to 86.5% (for bulk density). The models developed suggested that the optimal process variables for the production of a puffed snack with an enhanced nutrition and spongy structure from a rice-cowpea-groundnut blend are low feed moisture of 14-20% and maximum additions of 20% cowpea and 10% groundnut. A lack-of-fit test showed no significance, indicating that the models adequately fitted the data.

Influence of deposition and spray pattern of nasal powders on insulin bioavailability.

PubMed

Pringels, E; Callens, C; Vervaet, C; Dumont, F; Slegers, G; Foreman, P; Remon, J P

2006-03-09

The influence of the deposition pattern and spray characteristics of nasal powder formulations on the insulin bioavailability was investigated in rabbits. The formulations were prepared by freeze drying a dispersion containing a physical mixture of drum dried waxy maize starch (DDWM)/Carbopol 974P (90/10, w/w) or a spray-dried mixture of Amioca starch/Carbopol 974P (25/75, w/w). The deposition in the nasal cavity of rabbits and in a silicone human nose model after actuation of three nasal delivery devices (Monopowder, Pfeiffer and experimental system) was compared and related to the insulin bioavailability. Posterior deposition of the powder formulation in the nasal cavity lowered the insulin bioavailability. To study the spray pattern, the shape and cross-section of the emitted powder cloud were analysed. It was concluded that the powder bulk density of the formulation influenced the spray pattern. Consequently, powders of different bulk density were prepared by changing the solid fraction of the freeze dried dispersion and by changing the freezing rate during freeze drying. After nasal delivery of these powder formulations no influence of the powder bulk density and of the spray pattern on the insulin bioavailability was observed.

Ab-initio Computation of the Electronic, transport, and Bulk Properties of Calcium Oxide.

NASA Astrophysics Data System (ADS)

Mbolle, Augustine; Banjara, Dipendra; Malozovsky, Yuriy; Franklin, Lashounda; Bagayoko, Diola

We report results from ab-initio, self-consistent, local Density approximation (LDA) calculations of electronic and related properties of calcium oxide (CaO) in the rock salt structure. We employed the Ceperley and Alder LDA potential and the linear combination of atomic orbitals (LCAO) formalism. Our calculations are non-relativistic. We implemented the LCAO formalism following the Bagayoko, Zhao, and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF). The BZW-EF method involves a methodical search for the optimal basis set that yields the absolute minima of the occupied energies, as required by density functional theory (DFT). Our calculated, indirect band gap of 6.91eV, from towards the L point, is in excellent agreement with experimental value of 6.93-7.7eV, at room temperature (RT). We have also calculated the total (DOS) and partial (pDOS) densities of states as well as the bulk modulus. Our calculated bulk modulus is in excellent agreement with experiment. Work funded in part by the US Department of Energy (DOE), National Nuclear Security Administration (NNSA) (Award No.DE-NA0002630), the National Science Foundation (NSF) (Award No, 1503226), LaSPACE, and LONI-SUBR.

DE-1 observations of polar O(+) stream bulk parameters and comparison with a model of the centrifugally-accelerated polar wind

NASA Technical Reports Server (NTRS)

Ho, C. Wing; Horwitz, J. L.

1995-01-01

A survey of bulk parameters of analyzable O(+) outward streams in the mid-altitude (3-4.7 R(sub E) geocentric distance) polar cap magnetosphere is obtained from measurements by the Retarding Ion Mass Spectrometer (RIMS) aboard the Dynamics Explorer-1 (DE-1) spacecraft. There is wide scatter in the obtained densities, but they do display discernible trends: the average O(+) density in these streams decreases from about 60 ions/cc at 3.5 R(sub E) to about 1 ion/cc at 4.6 R(sub E). The streaming velocities are somewhat more defined, and their average increases from about 8 km/s at 3.5 R(sub E) to about 12 km/s at 4.6 R(sub E). The densities and bulk velocities are inversely correlated. We have further compared these observational trends with model profiles for the centrifugally-accelerated polar wind as recently described by Horwitz et al. (1994). The large outflow velocities observed can be understood in part as centrifugally-driven by convection with ionospheric electric field magnitudes of the order 50-70 mV/m, perhaps including plasma expansion effects.

Density-velocity equations with bulk modulus for computational hydro-acoustics

NASA Astrophysics Data System (ADS)

Lin, Po-Hsien; Chen, Yung-Yu; John Yu, S.-T.

2014-02-01

This paper reports a new set of model equations for Computational Hydro Acoustics (CHA). The governing equations include the continuity and the momentum equations. The definition of bulk modulus is used to relate density with pressure. For 3D flow fields, there are four equations with density and velocity components as the unknowns. The inviscid equations are proved to be hyperbolic because an arbitrary linear combination of the three Jacobian matrices is diagonalizable and has a real spectrum. The left and right eigenvector matrices are explicitly derived. Moreover, an analytical form of the Riemann invariants are derived. The model equations are indeed suitable for modeling wave propagation in low-speed, nearly incompressible air and water flows. To demonstrate the capability of the new formulation, we use the CESE method to solve the 2D equations for aeolian tones generated by air flows passing a circular cylinder at Re = 89,000, 46,000, and 22,000. Numerical results compare well with previously published data. By simply changing the value of the bulk modulus, the same code is then used to calculate three cases of water flows passing a cylinder at Re = 89,000, 67,000, and 44,000.

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

Mallow, Anne; Abdelaziz, Omar; Graham, Jr., Samuel

The thermal charging performance of paraffin wax combined with compressed expanded natural graphite foam was studied for different graphite bulk densities. Constant heat fluxes between 0.39 W/cm 2 and 1.55 W/cm 2 were applied, as well as a constant boundary temperature of 60 °C. Thermal charging experiments indicate that, in the design of thermal batteries, thermal conductivity of the composite alone is an insufficient metric to determine the influence of the graphite foam on the thermal energy storage. By dividing the latent heat of the composite by the time to end of melt for each applied boundary condition, the energymore » storage performance was calculated to show the effects of composite thermal conductivity, graphite bulk density, and latent heat capacity. For the experimental volume, the addition of graphite beyond a graphite bulk density of 100 kg/m 3 showed limited benefit on the energy storage performance due to the decrease in latent heat storage capacity. These experimental results are used to validate a numerical model to predict the time to melt and for future use in the design of heat exchangers with graphite-foam based phase change material composites. As a result, size scale effects are explored parametrically with the validated model.« less

Extremely large nonsaturating magnetoresistance and ultrahigh mobility due to topological surface states in the metallic Bi2Te3 topological insulator

NASA Astrophysics Data System (ADS)

Shrestha, K.; Chou, M.; Graf, D.; Yang, H. D.; Lorenz, B.; Chu, C. W.

2017-05-01

Weak antilocalization (WAL) effects in Bi2Te3 single crystals have been investigated at high and low bulk charge-carrier concentrations. At low charge-carrier density the WAL curves scale with the normal component of the magnetic field, demonstrating the dominance of topological surface states in magnetoconductivity. At high charge-carrier density the WAL curves scale with neither the applied field nor its normal component, implying a mixture of bulk and surface conduction. WAL due to topological surface states shows no dependence on the nature (electrons or holes) of the bulk charge carriers. The observations of an extremely large nonsaturating magnetoresistance and ultrahigh mobility in the samples with lower carrier density further support the presence of surface states. The physical parameters characterizing the WAL effects are calculated using the Hikami-Larkin-Nagaoka formula. At high charge-carrier concentrations, there is a greater number of conduction channels and a decrease in the phase coherence length compared to low charge-carrier concentrations. The extremely large magnetoresistance and high mobility of topological insulators have great technological value and can be exploited in magnetoelectric sensors and memory devices.

Correlation between physical properties and ultrasonic relaxation parameters in transition metal tellurite glasses

NASA Astrophysics Data System (ADS)

Abd El-Moneim, A.

2003-07-01

The correlation between activation energy of ultrasonic relaxation process through the temperature range from 140 to 300 K and some physical properties has been investigated in pure TeO 2 and transition metal TeO 2-V 2O 5 and TeO 2-MoO 3 glasses according to Bridge and Patel's theory. The oxygen density (loss centers), number of two-well systems, hopping distance and mechanical relaxation time have been calculated in these glasses from the data of density, bulk modulus and stretching force constant of the glass. It has been found that the acoustic activation energy increased linearly with both the oxygen density and the number of two-well systems. The correlation between the acoustic activation energy and bulk modulus was achieved through the stretching force constant of the network and other structural parameters. Moreover, the experimental values of activation energy (V) agree well with those calculated from an empirical equation presented in this study in the form V=2.9×10 -7 F( F/ K) 3.37, where F is the stretching force constant of the glass and K is the experimental bulk modulus.

A cost-efficient method to assess carbon stocks in tropical peat soil

NASA Astrophysics Data System (ADS)

Warren, M. W.; Kauffman, J. B.; Murdiyarso, D.; Anshari, G.; Hergoualc'h, K.; Kurnianto, S.; Purbopuspito, J.; Gusmayanti, E.; Afifudin, M.; Rahajoe, J.; Alhamd, L.; Limin, S.; Iswandi, A.

2012-11-01

Estimation of belowground carbon stocks in tropical wetland forests requires funding for laboratory analyses and suitable facilities, which are often lacking in developing nations where most tropical wetlands are found. It is therefore beneficial to develop simple analytical tools to assist belowground carbon estimation where financial and technical limitations are common. Here we use published and original data to describe soil carbon density (kgC m-3; Cd) as a function of bulk density (gC cm-3; Bd), which can be used to rapidly estimate belowground carbon storage using Bd measurements only. Predicted carbon densities and stocks are compared with those obtained from direct carbon analysis for ten peat swamp forest stands in three national parks of Indonesia. Analysis of soil carbon density and bulk density from the literature indicated a strong linear relationship (Cd = Bd × 495.14 + 5.41, R2 = 0.93, n = 151) for soils with organic C content > 40%. As organic C content decreases, the relationship between Cd and Bd becomes less predictable as soil texture becomes an important determinant of Cd. The equation predicted belowground C stocks to within 0.92% to 9.57% of observed values. Average bulk density of collected peat samples was 0.127 g cm-3, which is in the upper range of previous reports for Southeast Asian peatlands. When original data were included, the revised equation Cd = Bd × 468.76 + 5.82, with R2 = 0.95 and n = 712, was slightly below the lower 95% confidence interval of the original equation, and tended to decrease Cd estimates. We recommend this last equation for a rapid estimation of soil C stocks for well-developed peat soils where C content > 40%.

Emergence of charge density waves and a pseudogap in single-layer TiTe 2

DOE PAGES

Chen, P.; Pai, Woei Wu; Chan, Y. -H.; ...

2017-09-11

Two-dimensional materials constitute a promising platform for developing nanoscale devices and systems. Their physical properties can be very different from those of the corresponding three-dimensional materials because of extreme quantum confinement and dimensional reduction. Here in this paper we report a study of TiTe 2 from the single-layer to the bulk limit. Using angle-resolved photoemission spectroscopy and scanning tunneling microscopy and spectroscopy, we observed the emergence of a (2 × 2) charge density wave order in single-layer TiTe 2 with a transition temperature of 92 ± 3 K. Also observed was a pseudogap of about 28 meV at the Fermimore » level at 4.2 K. Surprisingly, no charge density wave transitions were observed in two-layer and multi-layer TiTe 2 , despite the quasi-two-dimensional nature of the material in the bulk. The unique charge density wave phenomenon in the single layer raises intriguing questions that challenge the prevailing thinking about the mechanisms of charge density wave formation.« less

Computer simulation of the matrix-inclusion interphase in bulk metallic glass based nanocomposites

NASA Astrophysics Data System (ADS)

Kokotin, V.; Hermann, H.; Eckert, J.

2011-10-01

Atomistic models for matrix-inclusion systems are generated. Analyses of the systems show that interphase layers of finite thickness appear interlinking the surface of the nanocrystalline inclusion and the embedding amorphous matrix. In a first approximation, the interphase is characterized as an amorphous structure with a density slightly reduced compared to that of the matrix. This result holds for both monatomic hard sphere systems and a Cu47.5Zr47.5Al5 alloy simulated by molecular dynamics (MD). The elastic shear and bulk modulus of the interphase are calculated by simulated deformation of the MD systems. Both moduli diminish with decreasing density but the shear modulus is more sensitive against density reduction by one order of magnitude. This result explains recent observations of shear band initiation at the amorphous-crystalline interface during plastic deformation.

Uniformly dense polymeric foam body

DOEpatents

Whinnery, Jr., Leroy

2003-07-15

A method for providing a uniformly dense polymer foam body having a density between about 0.013 g/cm.sup.3 to about 0.5 g/cm.sup.3 is disclosed. The method utilizes a thermally expandable polymer microsphere material wherein some of the microspheres are unexpanded and some are only partially expanded. It is shown that by mixing the two types of materials in appropriate ratios to achieve the desired bulk final density, filling a mold with this mixture so as to displace all or essentially all of the internal volume of the mold, heating the mold for a predetermined interval at a temperature above about 130.degree. C., and then cooling the mold to a temperature below 80.degree. C. the molded part achieves a bulk density which varies by less then about .+-.6% everywhere throughout the part volume.

Polysaccharide/Surfactant complexes at the air-water interface - effect of the charge density on interfacial and foaming behaviors.

PubMed

Ropers, M H; Novales, B; Boué, F; Axelos, M A V

2008-11-18

The binding of a cationic surfactant (hexadecyltrimethylammonium bromide, CTAB) to a negatively charged natural polysaccharide (pectin) at air-solution interfaces was investigated on single interfaces and in foams, versus the linear charge densities of the polysaccharide. Besides classical methods to investigate polymer/surfactant systems, we applied, for the first time concerning these systems, the analogy between the small angle neutron scattering by foams and the neutron reflectivity of films to measure in situ film thicknesses of foams. CTAB/pectin foam films are much thicker than the pure surfactant foam film but similar for high- and low-charged pectin/CTAB systems despite the difference in structure of complexes at interfaces. The improvement of the foam properties of CTAB bound to pectin is shown to be directly related to the formation of pectin-CTAB complexes at the air-water interface. However, in opposition to surface activity, there is no specific behavior for the highly charged pectin: foam properties depend mainly upon the bulk charge concentration, while the interfacial behavior is mainly governed by the charge density of pectin. For the highly charged pectin, specific cooperative effects between neighboring charged sites along the chain are thought to be involved in the higher surface activity of pectin/CTAB complexes. A more general behavior can be obtained at lower charge density either by using a low-charged pectin or by neutralizing the highly charged pectin in decreasing pH.

Temperature and pressure dependent thermodynamic behavior of 2H-CuInO2

NASA Astrophysics Data System (ADS)

Bhamu, K. C.

2018-05-01

Density functional theory and quasi-harmonic Debye model has been used to study the thermodynamic properties of 2H-CuInO2. At the optimized structural parameters, pressure (0 to 80 GPa) dependent variation in the various thermodynamic properties, i.e. unit cell volume (V), bulk modulus (B), specific heat (Cv), Debye temperature (θD), Grüneisen parameter (γ) and thermal expansion coefficient (α) are calculated for various temperature values. The results predict that the pressure has significant effect on unit cell volume and bulk modulus while the temperature shows negligible effect on both parameters. With increasing temperature thermal expansion coefficient increase while with increasing pressure it decreases. The specific heat remains close to zero for ambient pressure and temperature values and it increases with increasing temperature. It is observed that the pressure has high impact on Debye temperature and Grüneisen parameter instead of temperature. Debye temperature and Grüneisen parameter both remains almost constant for the temperature range (0-300K) while Grüneisen parameter decrease with increasing pressure at constant temperature and Debye temperature increases rapidly with increasing pressure. An increase in Debye temperature with respect to pressure shows that the thermal vibration frequency changes rapidly.

K1.33Mn8O16 as an electrocatalyst and a cathode

NASA Astrophysics Data System (ADS)

Jalili, Seifollah; Moharramzadeh Goliaei, Elham; Schofield, Jeremy

2017-02-01

Density functional theory (DFT) calculations are carried out to investigate the electronic, magnetic and thermoelectric properties of bulk and nanosheet K1.33Mn8O16 materials. The catalytic activity and cathodic performance of bulk and nanosheet structures are examined using the Tran-Blaha modified Becke-Johnson (TB-mBJ) exchange potential. Electronic structure calculations reveal an anti-ferromagnetic ground state, with a TB-mMBJ band gap in bulk K1.33Mn8O16 that is in agreement with experimental results. Density of state plots indicate a partial reduction of Mn4+ ions to Mn3+, without any obvious sign of Jahn-Teller distortion. Moreover, use of the O p-band center as a descriptor of catalytic activity suggests that the nanosheet has enhanced catalytic activity compared to the bulk structure. Thermoelectric parameters such as the Seebeck coefficient, electrical conductivity, and thermal conductivity are also calculated, and it is found that the Seebeck coefficients decrease with increasing temperature. High Seebeck coefficients for both spin-up and spin-down states are found in the nanosheet relative to their value in the bulk K1.33Mn8O16 structure, whereas the electrical and thermal conductivity are reduced relative to the bulk. In addition, figures of merit values are calculated as a function of the chemical potential and it is found that the nanosheet has a figure of merit of 1 at room temperature, compared to 0.5 for the bulk material. All results suggest that K1.33Mn8O16 nanosheets can be used both as a material in waste heat recovery and as an electrocatalyst in fuel cells and batteries.

Damage coefficients in low resistivity silicon. [solar cells

NASA Technical Reports Server (NTRS)

Srour, J. R.; Othmer, S.; Chiu, K. Y.; Curtis, O. L., Jr.

1975-01-01

Electron and proton damage coefficients are determined for low resistivity silicon based on minority-carrier lifetime measurements on bulk material and diffusion length measurements on solar cells. Irradiations were performed on bulk samples and cells fabricated from four types of boron-doped 0.1 ohm-cm silicon ingots, including the four possible combinations of high and low oxygen content and high and low dislocation density. Measurements were also made on higher resistivity boron-doped bulk samples and solar cells. Major observations and conclusions from the investigation are discussed.

Radiating gravitational collapse with shearing motion and bulk viscosity

NASA Astrophysics Data System (ADS)

Chan, R.

2001-03-01

A model is proposed of a collapsing radiating star consisting of a shearing fluid with bulk viscosity undergoing radial heat flow with outgoing radiation. The pressure of the star, at the beginning of the collapse, is isotropic but due to the presence of the bulk viscosity the pressure becomes more and more anisotropic. The behavior of the density, pressure, mass, luminosity, the effective adiabatic index and the Kretschmann scalar is analyzed. Our work is compared to the case of a collapsing shearing fluid of a previous model, for a star with 6 Msun.

The glass transition temperature of thin films: A molecular dynamics study for a bead-spring model.

PubMed

Stevenson, Craig S; Curro, John G; McCoy, John D

2017-05-28

Molecular dynamics simulations were carried out on free-standing liquid films of different thicknesses h using a bead-spring model of 10 beads per chain. The glass transition temperatures, T g , of the various films were determined from plots of the internal energy versus temperature. We used these simulations to test the validity of our earlier conjecture that the glass transition of a confined liquid could be approximated by pre-averaging over the non-uniform density profile of the film. Using the density profiles from our simulations, we computed the average density of the free-standing films as a function of temperature. In all our film simulations we found, within the error of the simulation, that T g of the film occurred at the same density (or packing fraction) as the bulk system at the bulk glass transition temperature T g B . By equating these densities at their respective glass transition temperatures, as suggested by the simulations, we deduced that T g /T g B is proportional to h 0 /h. This is consistent with previous simulations and experimental data. Moreover, the parameter h 0 is determinable in our model from the density profile of the films.

films on silicon at different annealing temperatures

NASA Astrophysics Data System (ADS)

Zhao, Yan; Zhou, Chunlan; Zhang, Xiang; Zhang, Peng; Dou, Yanan; Wang, Wenjing; Cao, Xingzhong; Wang, Baoyi; Tang, Yehua; Zhou, Su

2013-03-01

Thermal atomic layer-deposited (ALD) aluminum oxide (Al2O3) acquires high negative fixed charge density ( Q f) and sufficiently low interface trap density after annealing, which enables excellent surface passivation for crystalline silicon. Q f can be controlled by varying the annealing temperatures. In this study, the effect of the annealing temperature of thermal ALD Al2O3 films on p-type Czochralski silicon wafers was investigated. Corona charging measurements revealed that the Q f obtained at 300°C did not significantly affect passivation. The interface-trapping density markedly increased at high annealing temperature (>600°C) and degraded the surface passivation even at a high Q f. Negatively charged or neutral vacancies were found in the samples annealed at 300°C, 500°C, and 750°C using positron annihilation techniques. The Al defect density in the bulk film and the vacancy density near the SiO x /Si interface region decreased with increased temperature. Measurement results of Q f proved that the Al vacancy of the bulk film may not be related to Q f. The defect density in the SiO x region affected the chemical passivation, but other factors may dominantly influence chemical passivation at 750°C.

Rock property measurements and analysis of selected igneous, sedimentary, and metamorphic rocks from worldwide localities

USGS Publications Warehouse

Johnson, Gordon R.

1983-01-01

Dry bulk density and grain density measurements were made on 182 samples of igneous, sedimentary, and metamorphic rocks from various world-wide localities. Total porosity values and both water-accessible and helium-accessible porosities were calculated from the density data. Magnetic susceptibility measurements were made on the solid samples and permeability and streaming potentials were concurrently measured on most samples. Dry bulk densities obtained using two methods of volume determination, namely direct measurement and Archlmedes principle, were nearly equivalent for most samples. Grain densities obtained on powdered samples were typically greater than grain densities obtained on solid samples, but differences were usually small. Sedimentary rocks had the highest percentage of occluded porosity per rock volume whereas metamorphic rocks had the highest percentage of occluded porosity per total porosity. There was no apparent direct relationship between permeability and streaming potential for most samples, although there were indications of such a relationship in the rock group consisting of granites, aplites, and syenites. Most rock types or groups of similar rock types of low permeability had, when averaged, comparable levels of streaming potential per unit of permeability. Three calcite samples had negative streaming potentials.

High Sensitivity Gravity Measurements in the Adverse Environment of Oil Wells

NASA Astrophysics Data System (ADS)

Pfutzner, Harold

2014-03-01

Bulk density is a primary measurement within oil and gas reservoirs and is the basis of most reserves calculations by oil companies. The measurement is performed with a gamma-ray source and two scintillation gamma-ray detectors from within newly drilled exploration and production wells. This nuclear density measurement, while very precise is also very shallow and is therefore susceptible to errors due to any alteration of the formation and fluids in the vicinity of the borehole caused by the drilling process. Measuring acceleration due to gravity along a well provides a direct measure of bulk density with a very large depth of investigation that makes it practically immune to errors from near-borehole effects. Advances in gravity sensors and associated mechanics and electronics provide an opportunity for routine borehole gravity measurements with comparable density precision to the nuclear density measurement and with sufficient ruggedness to survive the rough handling and high temperatures experienced in oil well logging. We will describe a borehole gravity meter and its use under very realistic conditions in an oil well in Saudi Arabia. The density measurements will be presented. Alberto Marsala (2), Paul Wanjau (1), Olivier Moyal (1), and Justin Mlcak (1); (1) Schlumberger, (2) Saudi Aramco.

Anisotropic high-harmonic generation in bulk crystals

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

You, Yong Sing; Reis, David A.; Ghimire, Shambhu

2016-11-21

The microscopic valence electron density determines the optical, electronic, structural and thermal properties of materials. However, current techniques for measuring this electron charge density are limited: for example, scanning tunnelling microscopy is confined to investigations at the surface, and electron diffraction requires very thin samples to avoid multiple scattering. Therefore, an optical method is desirable for measuring the valence charge density of bulk materials. Since the discovery of high-harmonic generation (HHG) in solids, there has been growing interest in using HHG to probe the electronic structure of solids. Here, using single-crystal MgO, we demonstrate that high-harmonic generation in solids ismore » sensitive to interatomic bonding. We find that harmonic efficiency is enhanced (diminished) for semi-classical electron trajectories that connect (avoid) neighbouring atomic sites in the crystal. Finally, these results indicate the possibility of using materials’ own electrons for retrieving the interatomic potential and thus the valence electron density, and perhaps even wavefunctions, in an all-optical setting.« less

Necroplanetology: Disrupted Planetary Material Transiting WD 1145+017

NASA Astrophysics Data System (ADS)

Manideep Duvvuri, Girish; Redfield, Seth; Veras, Dimitri

2018-06-01

The WD 1145+017 system shows irregular transit features that are consistent with the tidal disruption of differentiated asteroids with bulk densities < 4 g cm-3 and bulk masses < 1021 kg. We use the open-source N-body code REBOUND to simulate this disruption with different internal structures: varying the core volume fraction, mantle/core density ratio, and the presence/absence of a thin low-density crust. We show that these parameters have observationally distinguishable effects on the transit light curve as the asteroid is disrupted and fit the simulation-generated lightcurves to data. We find that an asteroid with a low core fraction, low mantle/density ratio, and without a crust is most consistent with the A1 feature present for multiple weeks circa April 2017. This combination of observations and simulations to study the interior structure and chemistry of exoplanetary bodies via their destruction in action is an early example of necroplanetology, a field that will hopefully grow with the discovery of other systems like WD 1145+017.

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

Chen, P.; Pai, Woei Wu; Chan, Y. -H.

Two-dimensional materials constitute a promising platform for developing nanoscale devices and systems. Their physical properties can be very different from those of the corresponding three-dimensional materials because of extreme quantum confinement and dimensional reduction. Here in this paper we report a study of TiTe 2 from the single-layer to the bulk limit. Using angle-resolved photoemission spectroscopy and scanning tunneling microscopy and spectroscopy, we observed the emergence of a (2 × 2) charge density wave order in single-layer TiTe 2 with a transition temperature of 92 ± 3 K. Also observed was a pseudogap of about 28 meV at the Fermimore » level at 4.2 K. Surprisingly, no charge density wave transitions were observed in two-layer and multi-layer TiTe 2 , despite the quasi-two-dimensional nature of the material in the bulk. The unique charge density wave phenomenon in the single layer raises intriguing questions that challenge the prevailing thinking about the mechanisms of charge density wave formation.« less

Bulk Fermi surface and momentum density in heavily doped La2-xSrxCuO4 using high-resolution Compton scattering and positron annihilation spectroscopies

NASA Astrophysics Data System (ADS)

Al-Sawai, W.; Barbiellini, B.; Sakurai, Y.; Itou, M.; Mijnarends, P. E.; Markiewicz, R. S.; Kaprzyk, S.; Wakimoto, S.; Fujita, M.; Basak, S.; Lin, H.; Wang, Yung Jui; Eijt, S. W. H.; Schut, H.; Yamada, K.; Bansil, A.

2012-03-01

We have observed the bulk Fermi surface (FS) in an overdoped (x=0.3) single crystal of La2-xSrxCuO4 by using Compton scattering. A two-dimensional (2D) momentum density reconstruction from measured Compton profiles yields a clear FS signature in the third Brillouin zone along [100]. The quantitative agreement between density functional theory (DFT) calculations and momentum density experiment suggests that Fermi-liquid physics is restored in the overdoped regime. In particular the predicted FS topology is found to be in good accord with the corresponding experimental data. We find similar quantitative agreement between the measured 2D angular correlation of positron annihilation radiation (2D-ACAR) spectra and the DFT-based computations. However, 2D-ACAR does not give such a clear signature of the FS in the extended momentum space in either the theory or the experiment.

Cosmological Constant as a Manifestation of the Hierarchy

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

Chen, Pisin; Gu, Je-An

2007-12-21

There has been the suggestion that the cosmological constant as implied by the dark energy is related to the well-known hierarchy between the Planck scale, M{sub PI}, and the Standard Model scale, M{sub SM}. Here we further propose that the same framework that addresses this hierarchy problem must also address the smallness problem of the cosmological constant. Specifically, we investigate the minimal supersymmetric (SUSY) extension of the Randall-Sundrum model where SUSY-breaking is induced on the TeV brane and transmitted into the bulk. We show that the Casimir energy density of the system indeed conforms with the observed dark energy scale.

Critical behavior in trapped strongly interacting Fermi gases

NASA Astrophysics Data System (ADS)

Taylor, E.

2009-08-01

We investigate the width of the Ginzburg critical region and experimental signatures of critical behavior in strongly interacting trapped Fermi gases close to unitarity, where the s -wave scattering length diverges. Despite the fact that the width of the critical region is of the order unity, evidence of critical behavior in the bulk thermodynamics of trapped gases is strongly suppressed by their inhomogeneity. The specific heat of a harmonically confined gas, for instance, is linear in the reduced temperature t=(T-Tc)/Tc above Tc . We also discuss the prospects of observing critical behavior in the local compressibility from measurements of the density profile.

Electronic structure, bonding, charge distribution, and x-ray absorption spectra of the (001) surfaces of fluorapatite and hydroxyapatite from first principles

NASA Astrophysics Data System (ADS)

Rulis, Paul; Yao, Hongzhi; Ouyang, Lizhi; Ching, W. Y.

2007-12-01

Fluorapatite (FAP) and hydroxyapatite (HAP) are two very important bioceramic crystals. The (001) surfaces of FAP and HAP crystals are studied by ab initio density functional calculations using a supercell slab geometry. It is shown that in both crystals, the O-terminated (001) surface is more stable with calculated surface energies of 0.865 and 0.871J/m2 for FAP and HAP, respectively. In FAP, the two surfaces are symmetric. In HAP, the orientation of the OH group along the c axis reduces the symmetry such that the top and bottom surfaces are no longer symmetric. It is revealed that the atoms near the surface and subsurface are significantly relaxed especially in the case of HAP. The largest relaxations occurred via the lateral movements of the O ions at the subsurface level. The electronic structures of the surface models in the form of layer-by-layer resolved partial density of states for all the atoms show systematic variation from the surface region toward the bulk region. The calculated Mulliken effective charge on each type of atom and the bond order values between cations (Ca, P) and anions (O, F) show different charge transfers and bond strength variations from the bulk crystal values. Electron charge density calculations show that the surfaces of both FAP and HAP crystals are mostly positively charged due to the presence of Ca ions at the surface. The positively charged surfaces have implications for the absorption on apatite surfaces of water and other organic molecules in an aqueous environment which are an important part of its bioactivity. The x-ray absorption near-edge structure (XANES) spectra ( Ca-K , O-K , F-K , P-K , and P-L3 edges) of both the surface models and the bulk crystals are calculated and compared. The calculations use a supercell approach which takes into account the electron-core-hole interaction. It is shown that the site-specific XANES spectra show significant differences between atoms near the surface and in the bulk and are very sensitive to the local atomic environment of each atom. This information will be very valuable for characterizing the apatite materials and in the interpretation of experimental data. Comparisons of several sets of experimental data with the weighted sums of the calculated spectra at different sites for the same element show very good agreement.

Levitation or suspension: Which one is better for the heavy-load HTS maglev transportation

NASA Astrophysics Data System (ADS)

Liu, Wei; Kang, Dong; Yang, X. F.; Wang, Fei; Peng, G. H.; Zheng, Jun; Ma, G. T.; Wang, J. S.

2015-09-01

Because of the limitation of permanent magnet (PM), the efficient of bulk high-Tc superconductor (HTSC) in a high-Tc superconducting (HTS) maglev system is not very high. It is better to magnetize the bulk HTSC with a high trapped field to increase the force density. The different application type of magnetized bulk HTSC in a maglev system, namely, levitation or suspension type, will bring quite different operation performance. This paper discusses the influence of application type on operation performance of magnetized bulk HTSC by experiments and simulations. From the discussion, it can be found which application type is better for the heavy-load HTS maglev system.

Some physical and functional properties of finger millet (Eleusine coracana) obtained in sub-Saharan Africa.

PubMed

Ramashia, S E; Gwata, E T; Meddows-Taylor, S; Anyasi, T A; Jideani, A I O

2018-02-01

The study determined the physical properties of finger millet (FM) (Eluesine coracana) grains and the functional properties of FM flour. Physical properties such as colour attributes, sample weight, bulk density, true density, porosity, surface area, sample volume, aspect ratio, sphericity, dimensional properties and moisture content of grain cultivars were determined. Water absorption capacity (WAC), bulk density (BD), dispersibility, viscosity and micro-structure of FM flours were also evaluated. Data collected were analyzed using SPSS statistical software version 23.0. Results showed that milky cream cultivar was significantly higher (p<0.05) than other samples in sample weight, bulk density, true density, aspect ratio and sphericity. However, pearl millet, used as a control, was significantly different from FM flour on all dimensional properties. Moisture content of milky cream showed higher significant difference for both grains and flours as compared to brown and black grain/flours. Milky cream cultivar was significantly different in L*, b*, C*, H* values, WAC, BD and dispersibility for both FM grains and flours. Data showed that brown flour was significantly higher in viscosity than in milky and black flours. Microstructure results revealed that starch granules of raw FM flours had oval/spherical and smooth surface. The study is important for agricultural and food engineers, designers, scientists and processors in the design of equipment for FM grain processing. Results are likely to be useful in assessing the quality of grains used to fortify FM flour. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Merely Measuring the UV-Visible Spectrum of Gold Nanoparticles Can Change Their Charge State.

PubMed

Navarrete, Jose; Siefe, Chris; Alcantar, Samuel; Belt, Michael; Stucky, Galen D; Moskovits, Martin

2018-02-14

Metallic nanostructures exhibit a strong plasmon resonance at a wavelength whose value is sensitive to the charge density in the nanostructure, its size, shape, interparticle coupling, and the dielectric properties of its surrounding medium. Here we use UV-visible transmission and reflectance spectroscopy to track the shifts of the plasmon resonance in an array of gold nanoparticles buried under metal-oxide layers of varying thickness produced using atomic layer deposition (ALD) and then coated with bulk layers of one of three metals: aluminum, silver, or gold. A significant shift in the plasmon resonance was observed and a precise value of ω p , the plasmon frequency of the gold comprising the nanoparticles, was determined by modeling the composite of gold nanoparticles and metal-oxide layer as an optically homogeneous film of core-shell particles bounded by two substrates: one of quartz and the other being one of the aforementioned metals, then using a Maxwell-Garnett effective medium expression to extract ω p for the gold nanoparticles before and after coating with the bulk metals. Under illumination, the change in the charge density of the gold nanoparticles per particle determined from the change in the values of ω p is found to be some 50-fold greater than what traditional electrostatic contact electrification models compute based on the work function difference of the two conductive materials. Moreover, when using bulk gold as the capping layer, which should have resulted in a negligible charge exchange between the gold nanoparticles and the bulk gold, a significant charge transfer from the bulk gold layer to the nanoparticles was observed as with the other metals. We explain these observations in terms of the "plasmoelectric effect", recently described by Atwater and co-workers, in which the gold nanoparticles modify their charge density to allow their resonant wavelength to match that of the incident light, thereby achieving, a lower value of the chemical potential due to the entropy increase resulting from the conversion of the plasmon's energy to heat. We conclude that even the act of registering the spectrum of nanoparticles is at times sufficient to alter their charge densities and hence their UV-visible spectra.

Optical and electronic properties of 2 H -Mo S2 under pressure: Revealing the spin-polarized nature of bulk electronic bands

NASA Astrophysics Data System (ADS)

Brotons-Gisbert, Mauro; Segura, Alfredo; Robles, Roberto; Canadell, Enric; Ordejón, Pablo; Sánchez-Royo, Juan F.

2018-05-01

Monolayers of transition-metal dichalcogenide semiconductors present spin-valley locked electronic bands, a property with applications in valleytronics and spintronics that is usually believed to be absent in their centrosymmetric (as the bilayer or bulk) counterparts. Here we show that bulk 2 H -Mo S2 hides a spin-polarized nature of states determining its direct band gap, with the spin sequence of valence and conduction bands expected for its single layer. This relevant finding is attained by investigating the behavior of the binding energy of A and B excitons under high pressure, by means of absorption measurements and density-functional-theory calculations. These results raise an unusual situation in which bright and dark exciton degeneracy is naturally broken in a centrosymmetric material. Additionally, the phonon-assisted scattering process of excitons has been studied by analyzing the pressure dependence of the linewidth of discrete excitons observed at the absorption coefficient edge of 2 H -Mo S2 . Also, the pressure dependence of the indirect optical transitions of bulk 2 H -Mo S2 has been analyzed by absorption measurements and density-functional-theory calculations. These results reflect a progressive closure of the indirect band gap as pressure increases, indicating that metallization of bulk Mo S2 may occur at pressures higher than 26 GPa.

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

An, Ho-Myoung; Kim, Hee-Dong; Kim, Tae Geun, E-mail: tgkim1@korea.ac.kr

Graphical abstract: The degradation tendency extracted by CP technique was almost the same in both the bulk-type and TFT-type cells. - Highlights: • D{sub it} is directly investigated from bulk-type and TFT-type CTF memory. • Charge pumping technique was employed to analyze the D{sub it} information. • To apply the CP technique to monitor the reliability of the 3D NAND flash. - Abstract: The energy distribution and density of interface traps (D{sub it}) are directly investigated from bulk-type and thin-film transistor (TFT)-type charge trap flash memory cells with tunnel oxide degradation, under program/erase (P/E) cycling using a charge pumping (CP)more » technique, in view of application in a 3-demension stackable NAND flash memory cell. After P/E cycling in bulk-type devices, the interface trap density gradually increased from 1.55 × 10{sup 12} cm{sup −2} eV{sup −1} to 3.66 × 10{sup 13} cm{sup −2} eV{sup −1} due to tunnel oxide damage, which was consistent with the subthreshold swing and transconductance degradation after P/E cycling. Its distribution moved toward shallow energy levels with increasing cycling numbers, which coincided with the decay rate degradation with short-term retention time. The tendency extracted with the CP technique for D{sub it} of the TFT-type cells was similar to those of bulk-type cells.« less

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

Gul, R., E-mail: rubi786@yahoo.com; Alabama A&M University, Normal AL, 35762; Cui, Y.

With the global shortage of {sup 3}He gas, researchers worldwide are looking for alternative materials for detecting neutrons. Among the candidate materials, semiconductors are attractive because of their light weight and ease in handling. Currently, we are looking into the suitability of boron arsenide (B{sub 12}As{sub 2}) for this specific application. As the first step in evaluating the material qualitatively, the photo-response of B{sub 12}As{sub 2} bulk crystals to light with different wavelengths was examined. The crystals showed photocurrent response to a band of 407- and 470- nm blue light. The maximum measured photoresponsivity and the photocurrent density at 0.7more » V for 470 nm blue light at room temperature were 0.25 A ⋅ W{sup −1} and 2.47 mA ⋅ cm{sup −2}, respectively. In addition to photo current measurements, the electrical properties as a function of temperature (range: 50-320 K) were measured. Reliable data were obtained for the low-temperature I-V characteristics, the temperature dependence of dark current and its density, and the resistivity variations with temperature in B{sub 12}As{sub 2} bulk crystals. The experiments showed an exponential dependence on temperature for the dark current, current density, and resistivity; these three electrical parameters, respectively, had a variation of a few nA to μA, 1-100 μA ⋅ cm{sup −2} and 7.6x10{sup 5}-7.7x10{sup 3} Ω ⋅ cm, for temperature increasing from 50 K to 320 K. The results from this study reported the first photoresponse and demonstrated that B{sub 12}As{sub 2} is a potential candidate for thermal-neutron detectors.« less

Preparation, consolidation, and crystallization of bulk metallic glasses

NASA Astrophysics Data System (ADS)

Holland, Troy

Bulk metallic glasses (BMGs) have been widely researched over the last decade. Research has primarily focused on BMGs of differing compositions and conditions within 3 main subject areas: preparation, consolidation, and crystallization. This work endeavors to show the interrelationships among each area across several types of BMG. Two compositions of zirconium(Zr)-type BMGs were prepared by mechanical attrition using a high-energy ball mill. The thermal and x-ray diffraction show that by milling elemental powders it is possible to obtain metallic powders with a glassy nature. These powders were then consolidated using a novel, high current density hot press. Hot pressing by using a spark plasma sintering (SPS) device has shown itself to be very useful in consolidating hard to produce intermetallics and ceramics. By utilizing high current densities and extremely rapid heating rates, the consolidation of the Zr-type ball milled powders and a gas atomized iron(Fe)-type powder was achieved. Utilizing the Kissinger relationship between reaction temperatures and their heating rates allowed for higher peak consolidation temperatures without fully- or partially-devitrifying the powders. The current densities applied aid in the diffusion and thermodynamics of the devitrification reaction. This affect has had little to no previous research so it was necessary to determine the specific effects of applied currents upon the devitrification of BMGs. To determine the role of applied currents on crystallization, or devitrification, of BMGs required the application of differing currents at fixed annealing temperatures. Once this was achieved it was possible with small-angle neutron scattering (SANS), differential scanning calorimetry (DSC), and transmission electron microscopy (TEM) to show that both the kinetics and thermodynamics of the devitrification reaction were affected.

Quantitative Phase Fraction Detection in Organic Photovoltaic Materials through EELS Imaging

DOE PAGES

Dyck, Ondrej; Hu, Sheng; Das, Sanjib; ...

2015-11-24

Organic photovoltaic materials have recently seen intense interest from the research community. Improvements in device performance are occurring at an impressive rate; however, visualization of the active layer phase separation still remains a challenge. Our paper outlines the application of two electron energy-loss spectroscopic (EELS) imaging techniques that can complement and enhance current phase detection techniques. Specifically, the bulk plasmon peak position, often used to produce contrast between phases in energy filtered transmission electron microscopy (EFTEM), is quantitatively mapped across a sample cross section. One complementary spectrum image capturing the carbon and sulfur core loss edges is compared with themore » plasmon peak map and found to agree quite well, indicating that carbon and sulfur density differences between the two phases also allows phase discrimination. Additionally, an analytical technique for determining absolute atomic areal density is used to produce an absolute carbon and sulfur areal density map. We also show how these maps may be re-interpreted as a phase ratio map, giving quantitative information about the purity of the phases within the junction.« less

Higher Energy Plasma Ions found near the Termination Shock: Analyses of Voyager 2 Data in the Heliosheath and in the Outer Heliosphere

NASA Technical Reports Server (NTRS)

Intriligator, Devrie S.; Intriligator, James; Miller, W. David; Webber, William R.; Decker, Robert B.

2010-01-01

We have found in the Voyager 2 (V2) plasma science data in the heliosheath (HS) near the termination shock (TS) high-energy ions (HEIs) in addition to the bulk plasma convective flow ions. The HEI detections temporally coincide with increased V2 plasma wave subsystem (PWS) activity in "event A"h of Gurnett and Kurth. Maxwellian fits to HEI detections indicate the HEIs are moving radially anti -Sunward with a proton speed of 600 km/s, a density of 10(exp -4) (exp -3), and a thermal speed of 10 km/s. The heliosheath bulk convective protons have a speed of 204 km/s, a density of 0.0029 cm(exp -3), and a thermal speed of 26.7 km/s. The HEI flux and ram pressure are approximately 10% and 30% of those of the bulk HS flow. Since the HEI speed is both close to twice the solar wind speed and independent of the heliosheath bulk plasma speed, the HEIs may be detections of pickup protons formed in the solar wind and convected through the TS. The HEIs also are reminiscent of the pickup protons upstream of the Mars bow shock where their energy also was independent of the bulk plasma speed and attributed to multiple reflections off the Mars bow shock. Gurnett and Kurth 's (2008) event A enhanced PWS activity may be generated by a two ]stream instability from the interaction of these HEIs with the heliosheath bulk plasma ions. We present our findings, discuss their implications, and also present alternative interpretations.

A new approach to the problem of bulk-mediated surface diffusion.

PubMed

Berezhkovskii, Alexander M; Dagdug, Leonardo; Bezrukov, Sergey M

2015-08-28

This paper is devoted to bulk-mediated surface diffusion of a particle which can diffuse both on a flat surface and in the bulk layer above the surface. It is assumed that the particle is on the surface initially (at t = 0) and at time t, while in between it may escape from the surface and come back any number of times. We propose a new approach to the problem, which reduces its solution to that of a two-state problem of the particle transitions between the surface and the bulk layer, focusing on the cumulative residence times spent by the particle in the two states. These times are random variables, the sum of which is equal to the total observation time t. The advantage of the proposed approach is that it allows for a simple exact analytical solution for the double Laplace transform of the conditional probability density of the cumulative residence time spent on the surface by the particle observed for time t. This solution is used to find the Laplace transform of the particle mean square displacement and to analyze the peculiarities of its time behavior over the entire range of time. We also establish a relation between the double Laplace transform of the conditional probability density and the Fourier-Laplace transform of the particle propagator over the surface. The proposed approach treats the cases of both finite and infinite bulk layer thicknesses (where bulk-mediated surface diffusion is normal and anomalous at asymptotically long times, respectively) on equal footing.

Direct Comparison of Surface and Bulk Relaxation of PS - A Temperature Dependent Study

NASA Astrophysics Data System (ADS)

Wu, Wen-Li; Sambasivan, Sharadha; Wang, Chia-Ying; Genzer, Jan; Fischer, Daniel A.

2005-03-01

Near-edge X-ray absorption fine structure (NEXAFS) spectroscopy was used to measure simultaneously the relaxation rates of polystyrene (PS) molecules at the free surface and in the bulk. The samples were uniaxially oriented at room temperature via a modified cold rolling process. The density of the oriented samples as determined by liquid immersion technique is identical to that of bulk PS. At temperatures below its bulk glass transition temperature the rate of surface and bulk chain relaxation was monitored by measuring the partial-electron yield (PEY) and the fluorescence NEXAFS yields (FS), respectively, both parallel and perpendicular to the stretching direction. The decay rate of the dichroic ratios from both PEY and FY at various temperatures was taken as a measure of the relaxation rate of surface and bulk molecules respectively. In addition, the decay rate of the optical birefringence was also measured to provide an independent measure of the bulk relaxation. Relaxation of PS chains was found to occur faster on the surface relative to the bulk. The magnitude of the surface glass transition temperature suppression over the bulk was estimated to be 18 C based on the measured temperature dependence of the relaxation rates.

Effect of product form, compaction, vibration and comminution on energywood bulk density

Treesearch

Tim P. McDonald; Bryce J. Stokes; J.F. McNeel

1995-01-01

A study was performed to examine the changes in density of stacked roundwood, chips, and chunks as affected by various compaction treatments. Density of stacked roundwood bolts was tested for the effect of stacking orientation, binding of the stack ends, and species. Stacked bolt wood occupied less than 50 percent of the total rack space for all species, giving final...

Embankment Criteria and Performance Report: Adobe Dam Gila River Basin, New River and Phoenix City Streams, Arizona.

DTIC Science & Technology

1983-06-01

Field Control Results 18 - Record Test Results 18 GRAVEL DRAIN MATERIAL, 19 FILTER MATERIAL, 20 ABUTMET INFILL MATERIAL- 20 X. EMBANKMENT ANALYSIS 21 XI...Thirty-three in-situ density tests were conducted in the near surface embankment foundation materials by the sand displacement method . An additional...seven densities were obtained from undisturbed samples by the bulk density method . The results of density tests in the foundation are shown on plate

Density and mechanical properties of calcium aluminate cement

NASA Astrophysics Data System (ADS)

Ahmed, Syed Taqi Uddin; Ahmmad, Shaik Kareem

2018-04-01

Calcium aluminate cements are a special type of cements which have their composition mainly dominated by the presence of Monocalcium Aluminates. In the present paper for the first time we have shown theoretical density and elastic constants for various calcium aluminate cements. The density of the present CAS decrease with aluminates presents in the cement. Using the density data, the elastic moduli namely Young's modulus, bulk and shear modulus show strong linear dependence as a function of compositional parameter.

Fabrication, Densification and Thermionic Emission Property of Lanthanum Hexaboride

NASA Astrophysics Data System (ADS)

Yu, Yiping; Wang, Song; Li, Wei; Chen, Hongmei; Chen, Zhaohui

2018-03-01

An effective way to improve sintering densification of LaB6 was proposed and confirmed experimentally. Firstly, LaB6 nanopowders with a cube-like shape of 94.7 nm were fabricated by molten salt synthesis route at 800 °C for 1 h. Then, LaB6 bulk material of 98% density was prepared by hot pressing sintering of as-synthesized LaB6 nanopowders under 1800 °C/50 MPa/30 min. The acquired LaB6 bulk material had a work function of 2.87 eV and exhibited an excellent thermionic emission property. The saturation emission current density at 1500 and 1600 °C reached 37.4 and 44.3 A/cm2, respectively.

Scattering theory derivation of a 3D acoustic cloaking shell.

PubMed

Cummer, Steven A; Popa, Bogdan-Ioan; Schurig, David; Smith, David R; Pendry, John; Rahm, Marco; Starr, Anthony

2008-01-18

Through acoustic scattering theory we derive the mass density and bulk modulus of a spherical shell that can eliminate scattering from an arbitrary object in the interior of the shell--in other words, a 3D acoustic cloaking shell. Calculations confirm that the pressure and velocity fields are smoothly bent and excluded from the central region as for previously reported electromagnetic cloaking shells. The shell requires an anisotropic mass density with principal axes in the spherical coordinate directions and a radially dependent bulk modulus. The existence of this 3D cloaking shell indicates that such reflectionless solutions may also exist for other wave systems that are not isomorphic with electromagnetics.

Effects of viscous pressure on warm inflationary generalized cosmic Chaplygin gas model

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

Sharif, M.; Saleem, Rabia, E-mail: msharif.math@pu.edu.pk, E-mail: rabiasaleem1988@yahoo.com

This paper is devoted to study the effects of bulk viscous pressure on an inflationary generalized cosmic Chaplygin gas model using FRW background. The matter contents of the universe are assumed to be inflaton and imperfect fluid. We evaluate inflaton fields, potentials and entropy density for variable as well as constant dissipation and bulk viscous coefficients in weak as well as high dissipative regimes during intermediate era. In order to discuss inflationary perturbations, we evaluate entropy density, scalar (tensor) power spectra, their corresponding spectral indices, tensor-scalar ratio and running of spectral index in terms of inflaton which are constrained usingmore » recent Planck, WMAP7 and Bicep2 probes.« less

Method for forming a uniformly dense polymer foam body

DOEpatents

Whinnery, Jr., Leroy

2002-01-01

A method for providing a uniformly dense polymer foam body having a density between about 0.013 .sup.g /.sub.cm.sup..sub.3 to about 0.5 .sup.g /.sub.cm.sup..sub.3 is disclosed. The method utilizes a thermally expandable polymer microballoon material wherein some of the microballoons are unexpanded and some are only partially expanded. It is shown that by mixing the two types of materials in appropriate ratios to achieve the desired bulk final density, filling a mold with this mixture so as to displace all or essentially all of the internal volume of the mold, heating the mold for a predetermined interval at a temperature above about 130.degree. C., and then cooling the mold to a temperature below 80.degree. C. the molded part achieves a bulk density which varies by less then about .+-.6% everywhere throughout the part volume.

Electronic transport in disordered MoS2 nanoribbons

NASA Astrophysics Data System (ADS)

Ridolfi, Emilia; Lima, Leandro R. F.; Mucciolo, Eduardo R.; Lewenkopf, Caio H.

2017-01-01

We study the electronic structure and transport properties of zigzag and armchair monolayer molybdenum disulfide nanoribbons using an 11-band tight-binding model that accurately reproduces the material's bulk band structure near the band gap. We study the electronic properties of pristine zigzag and armchair nanoribbons, paying particular attention to the edges states that appear within the MoS2 bulk gap. By analyzing both their orbital composition and their local density of states, we find that in zigzag-terminated nanoribbons these states can be localized at a single edge for certain energies independent of the nanoribbon width. We also study the effects of disorder in these systems using the recursive Green's function technique. We show that for the zigzag nanoribbons, the conductance due to the edge states is strongly suppressed by short-range disorder such as vacancies. In contrast, the local density of states still shows edge localization. We also show that long-range disorder has a small effect on the transport properties of nanoribbons within the bulk gap energy window.

Physical and thermal properties of mud-dominant sediment from the Joetsu Basin in the eastern margin of the Japan Sea

NASA Astrophysics Data System (ADS)

Goto, Shusaku; Yamano, Makoto; Morita, Sumito; Kanamatsu, Toshiya; Hachikubo, Akihiro; Kataoka, Satsuki; Tanahashi, Manabu; Matsumoto, Ryo

2017-12-01

Physical properties (bulk density and porosity) and thermal properties (thermal conductivity, heat capacity, specific heat, and thermal diffusivity) of sediment are crucial parameters for basin modeling. We measured these physical and thermal properties for mud-dominant sediment recovered from the Joetsu Basin, in the eastern margin of the Japan Sea. To determine thermal conductivity, heat capacity, and thermal diffusivity, the dual-needle probe method was applied. Grain density and grain thermal properties for the mud-dominant sediment were estimated from the measured physical and thermal properties by applying existing models of physical and thermal properties of sediment. We suggest that the grain density, grain thermal conductivity, and grain thermal diffusivity depend on the sediment mineral composition. Conversely, the grain heat capacity and grain specific heat showed hardly any dependency on the mineral composition. We propose empirical formulae for the relationships between: thermal diffusivity and thermal conductivity, and heat capacity and thermal conductivity for the sediment in the Joetsu Basin. These relationships are different from those for mud-dominant sediment in the eastern flank of the Juan de Fuca Ridge presented in previous work, suggesting a difference in mineral composition, probably mainly in the amount of quartz, between the sediments in that area and the Joetsu Basin. Similar studies in several areas of sediments with various mineral compositions would enhance knowledge of the influence of mineral composition.

High-strength cellular ceramic composites with 3D microarchitecture.

PubMed

Bauer, Jens; Hengsbach, Stefan; Tesari, Iwiza; Schwaiger, Ruth; Kraft, Oliver

2014-02-18

To enhance the strength-to-weight ratio of a material, one may try to either improve the strength or lower the density, or both. The lightest solid materials have a density in the range of 1,000 kg/m(3); only cellular materials, such as technical foams, can reach considerably lower values. However, compared with corresponding bulk materials, their specific strength generally is significantly lower. Cellular topologies may be divided into bending- and stretching-dominated ones. Technical foams are structured randomly and behave in a bending-dominated way, which is less weight efficient, with respect to strength, than stretching-dominated behavior, such as in regular braced frameworks. Cancellous bone and other natural cellular solids have an optimized architecture. Their basic material is structured hierarchically and consists of nanometer-size elements, providing a benefit from size effects in the material strength. Designing cellular materials with a specific microarchitecture would allow one to exploit the structural advantages of stretching-dominated constructions as well as size-dependent strengthening effects. In this paper, we demonstrate that such materials may be fabricated. Applying 3D laser lithography, we produced and characterized micro-truss and -shell structures made from alumina-polymer composite. Size-dependent strengthening of alumina shells has been observed, particularly when applied with a characteristic thickness below 100 nm. The presented artificial cellular materials reach compressive strengths up to 280 MPa with densities well below 1,000 kg/m(3).

Present Status and Future Prospects in Bulk Processing of HIGH-Tc Superconductors

NASA Astrophysics Data System (ADS)

Jin, S.; Chu, C. W.

The following sections are included: * INTRODUCTION * HIGH SUPERCONDUCTING TRANSITION TEMPERATURE * HIGH CRITICAL CURRENT DENSITY * Grain Boundary Weak Links * Nature of Weak Links * Possible Processing Approaches for Weak Link Problem * Processing Techniques for Texture Formation * Flux Creep in HTSC * Desirable Pinning Defects * Processing for Flux Pinning Enhancement * PROSPECTS FOR BULK APPLICATIONS * Magnetic Field Gener * Energy Storage * Magnetic Shielding * Other Applications * CONCLUDING REMARKS * ACKNOWLEDGMENT * REFERENCES

Core Versus Nuclear Gauge Methods of Determining Soil Bulk Density and Moisture Content

Treesearch

Jacqueline G. Steele; Jerry L. Koger; Albert C. Trouse; Donald L. Sirois

1983-01-01

Soil bulk and moisture content measurements were obtained using two nuclear gauge systems and those compared to those obtained from soil cores. The soils, a Hiwassee sandy loam, a Lakeland loamy sand, and a Loyd clay, were free of organic matter and uniform in mechanical composition. The regression equations developed for the nuclear guages for the first phase of the...

Bulk-surface relationship of an electronic structure for high-throughput screening of metal oxide catalysts

NASA Astrophysics Data System (ADS)

Kweun, Joshua Minwoo; Li, Chenzhe; Zheng, Yongping; Cho, Maenghyo; Kim, Yoon Young; Cho, Kyeongjae

2016-05-01

Designing metal-oxides consisting of earth-abundant elements has been a crucial issue to replace precious metal catalysts. To achieve efficient screening of metal-oxide catalysts via bulk descriptors rather than surface descriptors, we investigated the relationship between the electronic structure of bulk and that of the surface for lanthanum-based perovskite oxides, LaMO3 (M = Ti, V, Cr, Mn, Fe, Co, Ni, Cu). Through density functional theory calculations, we examined the d-band occupancy of the bulk and surface transition-metal atoms (nBulk and nSurf) and the adsorption energy of an oxygen atom (Eads) on (001), (110), and (111) surfaces. For the (001) surface, we observed strong correlation between the nBulk and nSurf with an R-squared value over 94%, and the result was interpreted in terms of ligand field splitting and antibonding/bonding level splitting. Moreover, the Eads on the surfaces was highly correlated with the nBulk with an R-squared value of more than 94%, and different surface relaxations could be explained by the bulk electronic structure (e.g., LaMnO3 vs. LaTiO3). These results suggest that a bulk-derived descriptor such as nBulk can be used to screen metal-oxide catalysts.

Modeling KBOs Charon, Orcus and Salacia by means of a new equation of state for porous icy bodies

NASA Astrophysics Data System (ADS)

Malamud, U.; Prialnik, D.

2015-10-01

We use a one-dimensional adaptive-grid thermal evolution code to model intermediate sized Kuiper belt objects Charon, Orcus and Salacia and compare their measured bulk densities with those resulting from evolutionary calculations at the end of 4.6 Gyr. Our model assumes an initial homogeneous composition of mixed ice and rock, and follows the multiphase flow of water through the porous rocky medium, consequent differentiation and aqueous chemical alterations in the rock. Heating sources include long-lived radionuclides, serpentinization reactions, release of gravitational potential energy due to compaction, and crystallization of amorphous ice. The density profile is calculated by assuming hydrostatic equilibrium to be maintained through changes in composition, pressure and temperature. To this purpose, we construct an equation of state suitable for porous icy bodies with radii of a few hundred km, based on the best available empirical studies of ice and rock compaction, and on comparisons with rock porosities in Earth analog and Solar System silicates. We show that the observed bulk densities can be reproduced by assuming the same set of initial and physical parameters, including the same rock/ice mass ratio for all three bodies. We conclude that the mass of the object uniquely determines the evolution of porosity, and thus explains the observed differences in bulk density. The final structure of all three objects is differentiated, with an inner rocky core, and outer ice-enriched mantle. The degree of differentiation, too, is determined by the object's mass.

Modeling Kuiper belt objects Charon, Orcus and Salacia by means of a new equation of state for porous icy bodies

NASA Astrophysics Data System (ADS)

Malamud, Uri; Prialnik, Dina

2015-01-01

We use a one-dimensional adaptive-grid thermal evolution code to model Kuiper belt objects Charon, Orcus and Salacia and compare their measured bulk densities with those resulting from evolutionary calculations at the end of 4.6 Gyr. Our model assumes an initial homogeneous composition of mixed ice and rock, and follows the multiphase flow of water through the porous rocky medium, consequent differentiation and aqueous chemical alterations in the rock. Heating sources include long-lived radionuclides, serpentinization reactions, release of gravitational potential energy due to compaction, and crystallization of amorphous ice. The density profile is calculated by assuming hydrostatic equilibrium to be maintained through changes in composition, pressure and temperature. To this purpose, we construct an equation of state suitable for porous icy bodies with radii of a few hundred km, based on the best available empirical studies of ice and rock compaction, and on comparisons with rock porosities in Earth analog and Solar System silicates. We show that the observed bulk densities can be reproduced by assuming the same set of initial and physical parameters, including the same rock/ice mass ratio for all three bodies. We conclude that the mass of the object uniquely determines the evolution of porosity, and thus explains the observed differences in bulk density. The final structure of all three objects is differentiated, with an inner rocky core, and outer ice-enriched mantle. The degree of differentiation, too, is determined by the object's mass.

Simulating structure and dynamics in small droplets of 1-ethyl-3-methylimidazolium acetate

NASA Astrophysics Data System (ADS)

Brehm, Martin; Sebastiani, Daniel

2018-05-01

To investigate the structure and dynamics of small ionic liquid droplets in gas phase, we performed a DFT-based ab initio molecular dynamics study of several 1-ethyl-3-methylimidazolium acetate clusters in vacuum as well as a bulk phase simulation. We introduce an unbiased criterion for average droplet diameter and density. By extrapolation of the droplet densities, we predict the experimental bulk phase density with a deviation of only a few percent. The hydrogen bond geometry between cations and anions is very similar in droplets and bulk, but the hydrogen bond dynamics is significantly slower in the droplets, becoming slower with increasing system size, with hydrogen bond lifetimes up to 2000 ps. From a normal mode analysis of the trajectories, we identify the modes of the ring proton C-H stretching, which are strongly affected by hydrogen bonding. From analyzing these, we find that the hydrogen bond becomes weaker with increasing system size. The cations possess an increased concentration inside the clusters, whereas the anions show an excess concentration on the outside. Almost all anions point towards the droplet center with their carboxylic groups. Ring stacking is found to be a very important structural motif in the droplets (as in the bulk), but side chain interactions are only of minor importance. By using Voronoi tessellation, we define the exposed droplet surface and find that it consists mainly of hydrogen atoms from the cation's and anion's methyl and ethyl groups. Polar atoms are rarely found on the surface, such that the droplets appear completely hydrophobic on the outside.

Reversible ultrafast melting in bulk CdSe

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

Wu, Wenzhi; Department of Mechanical Engineering, The University of Texas at Austin, Austin, Texas 78712; He, Feng

2016-02-07

In this work, transient reflectivity changes in bulk CdSe have been measured with two-color femtosecond pump-probe spectroscopy under a wide range of pump fluences. Three regions of reflectivity change with pump fluences have been consistently revealed for excited carrier density, coherent phonon amplitude, and lattice temperature. For laser fluences from 13 to 19.3 mJ/cm{sup 2}, ultrafast melting happens in first several picoseconds. This melting process is purely thermal and reversible. A complete phase transformation in bulk CdSe may be reached when the absorbed laser energy is localized long enough, as observed in nanocrystalline CdSe.

Detecting the environmental impact of off-road vehicles on Rawdat Al Shams in central Saudi Arabia by remote sensing.

PubMed

Dewidar, K; Thomas, J; Bayoumi, S

2016-07-01

Off-road vehicles can have a devastating impact on vegetation and soil. Here, we sought to quantify, through a combination of field vegetation, bulk soil, and image analyses, the impact of off-road vehicles on the vegetation and soils of Rawdat Al Shams, which is located in central Saudi Arabia. Soil compaction density was measured in the field, and 27 soil samples were collected for bulk density analysis in the lab to quantify the impacts of off-road vehicles. High spatial resolution images, such as those obtained by the satellites GeoEye-1 and IKONOS-2, were used for surveying the damage to vegetation cover and soil compaction caused by these vehicles. Vegetation cover was mapped using the Normalized Difference Vegetation Index (NDVI) technique based on high-resolution images taken at different times of the year. Vehicle trails were derived from satellite data via visual analysis. All damaged areas were determined from high-resolution image data. In this study, we conducted quantitative analyses of vegetation cover change, the impacts of vehicle trails (hereafter "trail impacts"), and a bulk soil analysis. Image data showed that both vegetation cover and trail impacts increased from 2008 to 2015, with the average percentage of trail impacts nearly equal to that of the percentage of vegetation cover during this period. Forty-six species of plants were found to be present in the study area, consisting of all types of life forms, yet trees were represented by a single species, Acacia gerrardii. Herbs composed the largest share of plant life, with 29 species, followed by perennial herbs (12 species), grasses (5 species), and shrubs (3 species). Analysis of soil bulk density for Rawdat Al Shams showed that off-road driving greatly impacts soil density. Twenty-two plant species were observed on the trails, the majority of which were ephemerals. Notoceras bicorne was the most common, with a frequency rate of 93.33 %, an abundance value of 78.47 %, and a density of 0.1 in transect 1, followed by Plantago ovata.

Resource recycling through artificial lightweight aggregates from sewage sludge and derived ash using boric acid flux to lower co-melting temperature.

PubMed

Hu, Shao-Hua; Hu, Shen-Chih; Fu, Yen-Pei

2012-02-01

This study focuses on artificial lightweight aggregates (ALWAs) formed from sewage sludge and ash at lowered co-melting temperatures using boric acid as the fluxing agent. The weight percentages of boric acid in the conditioned mixtures of sludge and ash were 13% and 22%, respectively. The ALWA derived from sewage sludge was synthesized under the following conditions: preheating at 400 degrees C 0.5 hr and a sintering temperature of 850 degrees C 1 hr. The analytical results of water adsorption, bulk density, apparent porosity, and compressive strength were 3.88%, 1.05 g/cm3, 3.93%, and 29.7 MPa, respectively. Scanning electron microscope (SEM) images of the ALWA show that the trends in water adsorption and apparent porosity were opposite to those of bulk density. This was due to the inner pores being sealed off by lower-melting-point material at the aggregates'surface. In the case of ash-derived aggregates, water adsorption, bulk density, apparent porosity, and compressive strength were 0.82%, 0.91 g/cm3, 0.82%, and 28.0 MPa, respectively. Both the sludge- and ash-derived aggregates meet the legal standards for ignition loss and soundness in Taiwan for construction or heat insulation materials.

Thermal charging study of compressed expanded natural graphite/phase change material composites

DOE PAGES

Mallow, Anne; Abdelaziz, Omar; Graham, Jr., Samuel

2016-08-12

The thermal charging performance of paraffin wax combined with compressed expanded natural graphite foam was studied for different graphite bulk densities. Constant heat fluxes between 0.39 W/cm 2 and 1.55 W/cm 2 were applied, as well as a constant boundary temperature of 60 °C. Thermal charging experiments indicate that, in the design of thermal batteries, thermal conductivity of the composite alone is an insufficient metric to determine the influence of the graphite foam on the thermal energy storage. By dividing the latent heat of the composite by the time to end of melt for each applied boundary condition, the energymore » storage performance was calculated to show the effects of composite thermal conductivity, graphite bulk density, and latent heat capacity. For the experimental volume, the addition of graphite beyond a graphite bulk density of 100 kg/m 3 showed limited benefit on the energy storage performance due to the decrease in latent heat storage capacity. These experimental results are used to validate a numerical model to predict the time to melt and for future use in the design of heat exchangers with graphite-foam based phase change material composites. As a result, size scale effects are explored parametrically with the validated model.« less

Numerical simulation of the fatigue behavior of additive manufactured titanium porous lattice structures.

PubMed

Zargarian, A; Esfahanian, M; Kadkhodapour, J; Ziaei-Rad, S

2016-03-01

In this paper, the effects of cell geometry and relative density on the high-cycle fatigue behavior of Titanium scaffolds produced by selective laser melting and electron beam melting techniques were numerically investigated by finite element analysis. The regular titanium lattice samples with three different unit cell geometries, namely, diamond, rhombic dodecahedron and truncated cuboctahedron, and the relative density range of 0.1-0.3 were analyzed under uniaxial cyclic compressive loading. A failure event based algorithm was employed to simulate fatigue failure in the cellular material. Stress-life approach was used to model fatigue failure of both bulk (struts) and cellular material. The predicted fatigue life and the damage pattern of all three structures were found to be in good agreement with the experimental fatigue investigations published in the literature. The results also showed that the relationship between fatigue strength and cycles to failure obeyed the power law. The coefficient of power function was shown to depend on relative density, geometry and fatigue properties of the bulk material while the exponent was only dependent on the fatigue behavior of the bulk material. The results also indicated the failure surface at an angle of 45° to the loading direction. Copyright © 2015 Elsevier B.V. All rights reserved.

Analysis of laboratory compaction methods of roller compacted concrete

NASA Astrophysics Data System (ADS)

Trtík, Tomáš; Chylík, Roman; Bílý, Petr; Fládr, Josef

2017-09-01

Roller-Compacted Concrete (RCC) is an ordinary concrete poured and compacted with machines typically used for laying of asphalt road layers. One of the problems connected with this technology is preparation of representative samples in the laboratory. The aim of this work was to analyse two methods of preparation of RCC laboratory samples with bulk density as the comparative parameter. The first method used dynamic compaction by pneumatic hammer. The second method of compaction had a static character. The specimens were loaded by precisely defined force in laboratory loading machine to create the same conditions as during static rolling (in the Czech Republic, only static rolling is commonly used). Bulk densities obtained by the two compaction methods were compared with core drills extracted from real RCC structure. The results have shown that the samples produced by pneumatic hammer tend to overestimate the bulk density of the material. For both compaction methods, immediate bearing index test was performed to verify the quality of compaction. A fundamental difference between static and dynamic compaction was identified. In static compaction, initial resistance to penetration of the mandrel was higher, after exceeding certain limit the resistance was constant. This means that the samples were well compacted just on the surface. Specimens made by pneumatic hammer actively resisted throughout the test, the whole volume was uniformly compacted.

Engineering and functional properties of biodegradable pellets developed from various agro-industrial wastes using extrusion technology.

PubMed

Jan, Kulsum; Riar, C S; Saxena, D C

2015-12-01

Different agro-industrial wastes were mixed with different plasticizers and extruded to form the pellets to be used further for development of biodegradable molded pots. Bulk density and macro-porosity are the important engineering properties used to determine the functional characteristics of the biodegradable pellets viz., expansion volume, water solubility, product colour, flowability and compactness. Significant differences in the functional properties of pellets with varying bulk densities (loose and tapped) and macro-porosities (loose, tapped) were observed. The observed mean bulk density of biodegradable pellets made from different formulations ranged between 0.213 and 0.560 g/ml for loose fill conditions and 0.248 to 0.604 g/ml for tapped fill conditions. Biodegradable pellets bear a good compaction for both loose and tapped fill methods. The mean macro-porosity of biodegradable pellets ranged between 1.19 and 54.48 % for loose fill condition and 0.29 to 53.35 % for tapped fill condition. Hausner ratio (HR) for biodegradable pellets varied from 1.026 to 1.328, indicating a good flowability of biodegradable pellets. Pearson's correlation between engineering properties and functional properties of biodegradable pellets revealed that from engineering properties functional properties can be predicted.

Influence of earthworm Eisenia fetida on Iris pseudacorus's photosynthetic characteristics, evapotranspiration losses and purifying capacity in constructed wetland systems.

PubMed

Xu, Defu; Li, Yingxue; Fan, Xiaolong; Guan, Yidong; Fang, Hua; Zhao, Xiaoli

2013-01-01

Four constructed wetland systems were studied to investigate the effects of adding Eisenia fetida on the purifying capacity of constructed wetlands. Addition of E. fetida increased the photosynthetic rate (Pn), transpiration rate (Tr) and chlorophyll meter value of leaves of Iris pseudacorus L. in the constructed wetlands by 16, 35 and 7%, respectively. Compared with the substrate only system, evapotranspiration losses were increased by 8, 48 and 56% for the wetland systems with substrate and E. fetida, with substrate and I. pseudacorus, and with substrate, I. pseudacorus and E. fetida, respectively. Addition of E. fetida to the substrate only and substrate and plant wetland systems decreased the substrate bulk density by 3 and 6%, respectively. The addition of E. fetida to the system with substrate and plants increased the removal efficiency of chemical oxygen demand (CODMn), total nitrogen (TN) and total phosphorus by 5, 7 and 22%, respectively. Evapotranspiration losses were significantly positively correlated with the removal efficiency of CODMn (P < 0.01). The significantly negative correlation between the removal efficiency TN and bulk density was found (P < 0.05). Therefore, E. fetida could stimulate I. pseudacorus growth and improve the substrate bulk density in the constructed wetland, resulting in enhanced purifying capacity.

Physical soil properties and slope treatments effects on hydraulic excavator productivity for forest road construction.

PubMed

Parsakho, Aidin; Hosseini, Seyed Ataollah; Jalilvand, Hamid; Lotfalian, Majid

2008-06-01

Effects of moisture, porosity and soil bulk density properties, grubbing time and terrain side slopes on pc 220 komatsu hydraulic excavator productivity were investigated in Miana forests road construction project which located in the northern forest of Iran. Soil moisture and porosity determined by samples were taken from undisturbed soil. The elements of daily works were measured with a digital stop watch and video camera in 14 observations (days). The road length and cross section profiles after each 20 m were selected to estimate earthworks volume. Results showed that the mean production rates for the pc 220 komatsu excavators were 60.13 m3 h(-1) and earthwork 14.76 m h(-1) when the mean depth of excavation or cutting was 4.27 m3 m(-1), respectively. There was no significant effects (p = 0.5288) from the slope classes' treatments on productivity, whereas grubbing time, soil moisture, bulk density and porosity had significantly affected on excavator earthworks volume (p < 0.0001). Clear difference was showed between the earthwork length by slope classes (p = 0.0060). Grubbing time (p = 0.2180), soil moisture (p = 0.1622), bulk density (p = 0.2490) and porosity (p = 0.2159) had no significant effect on the excavator earthworks length.

Relationships between surface coverage ratio and powder mechanics of binary adhesive mixtures for dry powder inhalers.

PubMed

Rudén, Jonas; Frenning, Göran; Bramer, Tobias; Thalberg, Kyrre; Alderborn, Göran

2018-04-25

The aim of this paper was to study relationships between the content of fine particles and the powder mechanics of binary adhesive mixtures and link these relationships to the blend state. Mixtures with increasing amounts of fine particles (increasing surface coverage ratios (SCR)) were prepared using Lactopress SD as carrier and micro particles of lactose as fines (2.7 µm). Indicators of unsettled bulk density, compressibility and flowability were derived and the blend state was visually examined by imaging. The powder properties studied showed relationships to the SCR characterised by stages. At low SCR, the fine particles predominantly gathered in cavities of the carriers, giving increased bulk density and unchanged or improved flow. Thereafter, increased SCR gave a deposition of particles at the enveloped carrier surface with a gradually more irregular adhesion layer leading to a reduced bulk density and a step-wise reduced flowability. The mechanics of the mixtures at a certain stage were dependent on the structure and the dynamics of the adhesion layer and transitions between the stages were controlled by the evolution of the adhesion layer. It is advisable to use techniques based on different types of flow in order to comprehensively study the mechanics of adhesive mixtures. Copyright © 2018 Elsevier B.V. All rights reserved.

Optimizing spray drying conditions of sour cherry juice based on physicochemical properties, using response surface methodology (RSM).

PubMed

Moghaddam, Arasb Dabbagh; Pero, Milad; Askari, Gholam Reza

2017-01-01

In this study, the effects of main spray drying conditions such as inlet air temperature (100-140 °C), maltodextrin concentration (MDC: 30-60%), and aspiration rate (AR) (30-50%) on the physicochemical properties of sour cherry powder such as moisture content (MC), hygroscopicity, water solubility index (WSI), and bulk density were investigated. This investigation was carried out by employing response surface methodology and the process conditions were optimized by using this technique. The MC of the powder was negatively related to the linear effect of the MDC and inlet air temperature (IT) and directly related to the AR. Hygroscopicity of the powder was significantly influenced by the MDC. By increasing MDC in the juice, the hygroscopicity of the powder was decreased. MDC and inlet temperature had a positive effect, but the AR had a negative effect on the WSI of powder. MDC and inlet temperature negatively affected the bulk density of powder. By increasing these two variables, the bulk density of powder was decreased. The optimization procedure revealed that the following conditions resulted in a powder with the maximum solubility and minimum hygroscopicity: MDC = 60%, IT = 134 °C, and AR = 30% with a desirability of 0.875.

Retrieving cosmological signal using cosmic flows

NASA Astrophysics Data System (ADS)

Bouillot, V.; Alimi, J.-M.

2011-12-01

To understand the origin of the anomalously high bulk flow at large scales, we use very large simulations in various cosmological models. To disentangle between cosmological and environmental effects, we select samples with bulk flow profiles similar to the observational data Watkins et al. (2009) which exhibit a maximum in the bulk flow at 53 h^{-1} Mpc. The estimation of the cosmological parameters Ω_M and σ_8, done on those samples, is correct from the rms mass fluctuation whereas this estimation gives completely false values when done on bulk flow measurements, hence showing a dependance of velocity fields on larger scales. By drawing a clear link between velocity fields at 53 h^{-1} Mpc and asymmetric patterns of the density field at 85 h^{-1} Mpc, we show that the bulk flow can depend largely on the environment. The retrieving of the cosmological signal is achieved by studying the convergence of the bulk flow towards the linear prediction at very large scale (˜ 150 h^{-1} Mpc).

Phenomenological consequences of enhanced bulk viscosity near the QCD critical point

DOE PAGES

Monnai, Akihiko; Mukherjee, Swagato; Yin, Yi

2017-03-06

In the proximity of the QCD critical point the bulk viscosity of quark-gluon matter is expected to be proportional to nearly the third power of the critical correlation length, and become significantly enhanced. Here, this work is the first attempt to study the phenomenological consequences of enhanced bulk viscosity near the QCD critical point. For this purpose, we implement the expected critical behavior of the bulk viscosity within a non-boost-invariant, longitudinally expanding 1 + 1 dimensional causal relativistic hydrodynamical evolution at nonzero baryon density. We demonstrate that the critically enhanced bulk viscosity induces a substantial nonequilibrium pressure, effectively softening themore » equation of state, and leads to sizable effects in the flow velocity and single-particle distributions at the freeze-out. In conclusion, the observable effects that may arise due to the enhanced bulk viscosity in the vicinity of the QCD critical point can be used as complementary information to facilitate searches for the QCD critical point.« less

Computer Modeling of the Thermal Conductivity of Cometary Ice

NASA Technical Reports Server (NTRS)

Bunch, Theodore E.; Wilson, Michael A.; Pohorille, Andrew

1998-01-01

The main objective of this research was to estimate the thermal conductivity of cometry ices from computer simulations of model amorphous ices. This was divided into four specific tasks: (1) Generating samples of amorphous water ices at different microporosities; (2) Comparing the resulting molecular structures of the ices with experimental results, for those densities where data was available; (3) Calculating the thermal conductivities of liquid water and bulk amorphous ices and comparing these results with experimentally determined thermal conductivities; and (4) Investigating how the thermal conductivity of amorphous ice depends upon the microscopic porosity of the samples. The thermal conductivity was found to be only weakly dependent on the microstructure of the amorphous ice. In general, the amorphous ices were found to have thermal conductivities of the same order of magnitude as liquid water. This is in contradiction to recent experimental estimates of the thermal conductivity of amorphous ice, and it is suggested that the extremely low value obtained experimentally is due to larger-scale defects in the ice, such as cracks, but it is not an intrinsic property of the bulk amorphous ice.

Mechanical and thermal properties of bulk ZrB2

NASA Astrophysics Data System (ADS)

Nakamori, Fumihiro; Ohishi, Yuji; Muta, Hiroaki; Kurosaki, Ken; Fukumoto, Ken-ichi; Yamanaka, Shinsuke

2015-12-01

ZrB2 appears to have formed in the fuel debris at the Fukushima Daiichi nuclear disaster site, through the reaction between Zircaloy cladding materials and the control rod material B4C. Since ZrB2 has a high melting point of 3518 K, the ceramic has been widely studied as a heat-resistant material. Although various studies on the thermochemical and thermophysical properties have been performed for ZrB2, significant differences exist in the data, possibly due to impurities or the porosity within the studied samples. In the present study, we have prepared a ZrB2 bulk sample with 93.1% theoretical density by sintering ZrB2 powder. On this sample, we have comprehensively examined the thermal and mechanical properties of ZrB2 by the measurement of specific heat, ultrasonic sound velocities, thermal diffusivity, and thermal expansion. Vickers hardness and fracture toughness were also measured and found to be 13-23 GPa and 1.8-2.8 MPa m0.5, respectively. The relationships between these properties were carefully examined in the present study.

Free surfaces recast superconductivity in few-monolayer MgB2: Combined first-principles and ARPES demonstration.

PubMed

Bekaert, J; Bignardi, L; Aperis, A; van Abswoude, P; Mattevi, C; Gorovikov, S; Petaccia, L; Goldoni, A; Partoens, B; Oppeneer, P M; Peeters, F M; Milošević, M V; Rudolf, P; Cepek, C

2017-10-31

Two-dimensional materials are known to harbour properties very different from those of their bulk counterparts. Recent years have seen the rise of atomically thin superconductors, with a caveat that superconductivity is strongly depleted unless enhanced by specific substrates, intercalants or adatoms. Surprisingly, the role in superconductivity of electronic states originating from simple free surfaces of two-dimensional materials has remained elusive to date. Here, based on first-principles calculations, anisotropic Eliashberg theory, and angle-resolved photoemission spectroscopy (ARPES), we show that surface states in few-monolayer MgB 2 make a major contribution to the superconducting gap spectrum and density of states, clearly distinct from the widely known, bulk-like σ- and π-gaps. As a proof of principle, we predict and measure the gap opening on the magnesium-based surface band up to a critical temperature as high as ~30 K for merely six monolayers thick MgB 2 . These findings establish free surfaces as an unavoidable ingredient in understanding and further tailoring of superconductivity in atomically thin materials.

Comparison of ONIX simulation results with experimental data from the BATMAN testbed for the study of negative ion extraction

NASA Astrophysics Data System (ADS)

Mochalskyy, Serhiy; Fantz, Ursel; Wünderlich, Dirk; Minea, Tiberiu

2016-10-01

The development of negative ion (NI) sources for the ITER neutral beam injector is strongly accompanied by modelling activities. The ONIX (Orsay Negative Ion eXtraction) code simulates the formation and extraction of negative hydrogen ions and co-extracted electrons produced in caesiated sources. In this paper the 3D geometry of the BATMAN extraction system, and the source characteristics such as the extraction and bias potential, and the 3D magnetic field were integrated in the model. Calculations were performed using plasma parameters experimentally obtained on BATMAN. The comparison of the ONIX calculated extracted NI density with the experimental results suggests that predictive calculations of the extraction of NIs are possible. The results show that for an ideal status of the Cs conditioning the extracted hydrogen NI current density could reach ~30 mA cm-2 at 10 kV and ~20 mA cm-2 at 5 kV extraction potential, with an electron/NI current density ratio of about 1, as measured in the experiments under the same plasma and source conditions. The dependency of the extracted NI current on the NI density in the bulk plasma region from both the modeling and the experiment was investigated. The separate distributions composing the NI beam originating from the plasma bulk region and the PG surface are presented for different NI plasma volume densities and NI emission rates from the plasma grid (PG) wall, respectively. The extracted current from the NIs produced at the Cs covered PG surface, initially moving towards the bulk plasma and then being bent towards the extraction surfaces, is lower compared to the extracted NI current from directly extracted surface produced ions.

Geohydrologic data from test hole USW UZ-7, Yucca Mountain area, Nye County, Nevada

USGS Publications Warehouse

Kume, Jack; Hammermeister, D.P.

1990-01-01

This report contains a description of the methods used in drilling and coring of the test-hole USW UZ-7, a description of the methods used in collecting, handling, and testing of test-hole samples; Lithologic information from the test hole; and water-content, water-potential, bulk-density, grain-density, porosity, and tritium data for the test hole. Test-hole USW UZ-7 was drilled and cored to a total depth of 62.94 m. The drilling was done using air as a drilling fluid to minimize disturbance to the water content of cores, drill-bit cuttings, and borehole wall-rock. Beginning at the land surface, the unsaturated-zone rock that was penetrated consisted of alluvium; welded and partially to nonwelded ash-flow tuff; bedded and reworked ash-fall tuff; nonwelded ash-flow tuff; and welded ash-flow tuff. Values of gravimetric water content and water potential of alluvium were intermediate between the extreme values in welded and nonwelded units of tuff. Gravimetric water content was largest in bedded and nonwelded ash-fall tuffs and was smallest in welded ash-flow tuff. Values of water potential were more negative in densely welded ash-flow tuffs and were less negative in bedded and nonwelded ash-fall tuffs. Bulk density was largest in densely welded ash-flow tuffs and smallest in nonwelded and bedded ash-fall tuffs. Grain density was uniform but was slightly larger in nonwelded and bedded ash-fall tuffs than in welded ash-flow tuffs. Porosity trends were opposite to bulk-density trends. Tritium content in alluvium was smallest near the alluvium-bedrock contact, markedly increased in the middle of the deposit, and decreased in the near-surface zone of the deposit. (Author 's abstract)

Can Process Understanding Help Elucidate The Structure Of The Critical Zone? Comparing Process-Based Soil Formation Models With Digital Soil Mapping.

NASA Astrophysics Data System (ADS)

Vanwalleghem, T.; Román, A.; Peña, A.; Laguna, A.; Giráldez, J. V.

2017-12-01

There is a need for better understanding the processes influencing soil formation and the resulting distribution of soil properties in the critical zone. Soil properties can exhibit strong spatial variation, even at the small catchment scale. Especially soil carbon pools in semi-arid, mountainous areas are highly uncertain because bulk density and stoniness are very heterogeneous and rarely measured explicitly. In this study, we explore the spatial variability in key soil properties (soil carbon stocks, stoniness, bulk density and soil depth) as a function of processes shaping the critical zone (weathering, erosion, soil water fluxes and vegetation patterns). We also compare the potential of traditional digital soil mapping versus a mechanistic soil formation model (MILESD) for predicting these key soil properties. Soil core samples were collected from 67 locations at 6 depths. Total soil organic carbon stocks were 4.38 kg m-2. Solar radiation proved to be the key variable controlling soil carbon distribution. Stone content was mostly controlled by slope, indicating the importance of erosion. Spatial distribution of bulk density was found to be highly random. Finally, total carbon stocks were predicted using a random forest model whose main covariates were solar radiation and NDVI. The model predicts carbon stocks that are double as high on north versus south-facing slopes. However, validation showed that these covariates only explained 25% of the variation in the dataset. Apparently, present-day landscape and vegetation properties are not sufficient to fully explain variability in the soil carbon stocks in this complex terrain under natural vegetation. This is attributed to a high spatial variability in bulk density and stoniness, key variables controlling carbon stocks. Similar results were obtained with the mechanistic soil formation model MILESD, suggesting that more complex models might be needed to further explore this high spatial variability.

Al-Air Batteries: Fundamental Thermodynamic Limitations from First Principles Theory

NASA Astrophysics Data System (ADS)

Chen, Leanne D.; Noerskov, Jens K.; Luntz, Alan C.

2015-03-01

The Al-air battery possesses high theoretical specific energy (4140 Wh/kg) and is therefore an attractive candidate for vehicle propulsion applications. However, the experimentally observed open-circuit potential is much lower than what thermodynamics predicts, and this potential loss is widely believed to be an effect of corrosion. We present a detailed study of the Al-air battery using density functional theory. The results suggest that the difference between bulk thermodynamic and surface potentials is due to both the effects of asymmetry in multi-electron transfer reactions that define the anodic dissolution of Al and, more importantly, a large chemical step inherent to the formation of bulk Al(OH)3 from surface intermediates. The former results in an energy loss of 3%, while the latter accounts for 14 -29% of the total thermodynamic energy depending on the surface site where dissolution occurs. Therefore, the maximum open-circuit potential of the Al anode is only -1.87 V vs. SHE in the absence of thermal excitations, contrary to -2.34 V predicted by bulk thermodynamics at pH 14.6. This is a fundamental limitation of the system and governs the maximum output potential, which cannot be improved even if corrosion effects were completely suppressed. Supported by the Natural Sciences and Engineering Research Council of Canada and the ReLiable Project (#11-116792) funded by the Danish Council for Strategic Research.

Strain-induced Weyl and Dirac states and direct-indirect gap transitions in group-V materials

NASA Astrophysics Data System (ADS)

Moynihan, Glenn; Sanvito, Stefano; O'Regan, David D.

2017-12-01

We perform comprehensive density-functional theory calculations on strained two-dimensional phosphorus (P), arsenic (As) and antimony (Sb) in the monolayer, bilayer, and bulk α-phase, from which we compute the key mechanical and electronic properties of these materials. Specifically, we compute their electronic band structures, band gaps, and charge-carrier effective masses, and identify the qualitative electronic and structural transitions that may occur. Moreover, we compute the elastic properties such as the Young’s modulus Y; shear modulus G; bulk modulus B ; and Poisson ratio ν and present their isotropic averages of as well as their dependence on the in-plane orientation, for which the relevant expressions are derived. We predict strain-induced Dirac states in the monolayers of As and Sb and the bilayers of P, As, and Sb, as well as the possible existence of Weyl states in the bulk phases of P and As. These phases are predicted to support charge velocities up to 106 m {{\\text{s}}-1} and, in some highly anisotropic cases, permit one-dimensional ballistic conductivity in the puckered direction. We also predict numerous band gap transitions for moderate in-plane stresses. Our results contribute to the mounting evidence for the utility of these materials, made possible by their broad range in tuneable properties, and facilitate the directed exploration of their potential application in next-generation electronics.

Ionic liquid gating on atomic layer deposition passivated GaN: Ultra-high electron density induced high drain current and low contact resistance

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

Zhou, Hong; Du, Yuchen; Ye, Peide D., E-mail: yep@purdue.edu

2016-05-16

Herein, we report on achieving ultra-high electron density (exceeding 10{sup 14 }cm{sup −2}) in a GaN bulk material device by ionic liquid gating, through the application of atomic layer deposition (ALD) of Al{sub 2}O{sub 3} to passivate the GaN surface. Output characteristics demonstrate a maximum drain current of 1.47 A/mm, the highest reported among all bulk GaN field-effect transistors, with an on/off ratio of 10{sup 5} at room temperature. An ultra-high electron density exceeding 10{sup 14 }cm{sup −2} accumulated at the surface is confirmed via Hall-effect measurement and transfer length measurement. In addition to the ultra-high electron density, we also observe a reductionmore » of the contact resistance due to the narrowing of the Schottky barrier width on the contacts. Taking advantage of the ALD surface passivation and ionic liquid gating technique, this work provides a route to study the field-effect and carrier transport properties of conventional semiconductors in unprecedented ultra-high charge density regions.« less

Direct Measure of the Dense Methane Phase in Gas Shale Organic Porosity by Neutron Scattering

DOE PAGES

Eberle, Aaron P. R.; King, Hubert E.; Ravikovitch, Peter I.; ...

2016-08-30

Here, we report the first direct measurements of methane density in shale gas using small-angle neutron scattering. At a constant pressure, the density of methane in the inorganic pores is similar to the gas bulk density of the system conditions. Conversely, the methane density is 2.1 ± 0.2 times greater in the organic mesopores. Furthermore, classical density functional theory calculations show that this excess density in the organic pores persists to elevated temperatures, typical of shale gas reservoir conditions, providing new insight into the hydrocarbon storage mechanisms within these reservoirs.

Simulating Osmotic Equilibria: A New Tool for Calculating Activity Coefficients in Concentrated Aqueous Salt Solutions.

PubMed

Bley, Michael; Duvail, Magali; Guilbaud, Philippe; Dufrêche, Jean-François

2017-10-19

Herein, a new theoretical method is presented for predicting osmotic equilibria and activities, where a bulk liquid and its corresponding vapor phase are simulated by means of molecular dynamics using explicit polarization. Calculated time-averaged number density profiles provide the amount of evaporated molecules present in the vapor phase and consequently the vapor-phase density. The activity of the solvent and the corresponding osmotic coefficient are determined by the vapor density at different solute concentrations with respect to the reference vapor density of the pure solvent. With the extended Debye-Hückel equation for the activity coefficient along with the corresponding Gibbs-Duhem relation, the activity coefficients of the solutes are calculated by fitting the osmotic coefficients. A simple model based on the combination of Poisson processes and Maxwell-Boltzmann velocity distributions is introduced to interpret statistical phenomena observed during the simulations, which are related to evaporation and recondensation. This method is applied to aqueous dysprosium nitrate [Dy(NO 3 ) 3 ] solutions at different concentrations. The obtained densities of the liquid bulk and the osmotic and activity coefficients are in good agreement with the experimental results for concentrated and saturated solutions. Density profiles of the liquid-vapor interface at different concentrations provide detailed insight into the spatial distributions of all compounds.

Emergence of charge density waves and a pseudogap in single-layer TiTe2.

PubMed

Chen, P; Pai, Woei Wu; Chan, Y-H; Takayama, A; Xu, C-Z; Karn, A; Hasegawa, S; Chou, M Y; Mo, S-K; Fedorov, A-V; Chiang, T-C

2017-09-11

Two-dimensional materials constitute a promising platform for developing nanoscale devices and systems. Their physical properties can be very different from those of the corresponding three-dimensional materials because of extreme quantum confinement and dimensional reduction. Here we report a study of TiTe 2 from the single-layer to the bulk limit. Using angle-resolved photoemission spectroscopy and scanning tunneling microscopy and spectroscopy, we observed the emergence of a (2 × 2) charge density wave order in single-layer TiTe 2 with a transition temperature of 92 ± 3 K. Also observed was a pseudogap of about 28 meV at the Fermi level at 4.2 K. Surprisingly, no charge density wave transitions were observed in two-layer and multi-layer TiTe 2 , despite the quasi-two-dimensional nature of the material in the bulk. The unique charge density wave phenomenon in the single layer raises intriguing questions that challenge the prevailing thinking about the mechanisms of charge density wave formation.Due to reduced dimensionality, the properties of 2D materials are often different from their 3D counterparts. Here, the authors identify the emergence of a unique charge density wave (CDW) order in monolayer TiTe 2 that challenges the current understanding of CDW formation.

Passivation mechanism of thermal atomic layer-deposited Al2O3 films on silicon at different annealing temperatures.

PubMed

Zhao, Yan; Zhou, Chunlan; Zhang, Xiang; Zhang, Peng; Dou, Yanan; Wang, Wenjing; Cao, Xingzhong; Wang, Baoyi; Tang, Yehua; Zhou, Su

2013-03-02

Thermal atomic layer-deposited (ALD) aluminum oxide (Al2O3) acquires high negative fixed charge density (Qf) and sufficiently low interface trap density after annealing, which enables excellent surface passivation for crystalline silicon. Qf can be controlled by varying the annealing temperatures. In this study, the effect of the annealing temperature of thermal ALD Al2O3 films on p-type Czochralski silicon wafers was investigated. Corona charging measurements revealed that the Qf obtained at 300°C did not significantly affect passivation. The interface-trapping density markedly increased at high annealing temperature (>600°C) and degraded the surface passivation even at a high Qf. Negatively charged or neutral vacancies were found in the samples annealed at 300°C, 500°C, and 750°C using positron annihilation techniques. The Al defect density in the bulk film and the vacancy density near the SiOx/Si interface region decreased with increased temperature. Measurement results of Qf proved that the Al vacancy of the bulk film may not be related to Qf. The defect density in the SiOx region affected the chemical passivation, but other factors may dominantly influence chemical passivation at 750°C.

Passivation mechanism of thermal atomic layer-deposited Al2O3 films on silicon at different annealing temperatures

PubMed Central

2013-01-01

Thermal atomic layer-deposited (ALD) aluminum oxide (Al2O3) acquires high negative fixed charge density (Qf) and sufficiently low interface trap density after annealing, which enables excellent surface passivation for crystalline silicon. Qf can be controlled by varying the annealing temperatures. In this study, the effect of the annealing temperature of thermal ALD Al2O3 films on p-type Czochralski silicon wafers was investigated. Corona charging measurements revealed that the Qf obtained at 300°C did not significantly affect passivation. The interface-trapping density markedly increased at high annealing temperature (>600°C) and degraded the surface passivation even at a high Qf. Negatively charged or neutral vacancies were found in the samples annealed at 300°C, 500°C, and 750°C using positron annihilation techniques. The Al defect density in the bulk film and the vacancy density near the SiOx/Si interface region decreased with increased temperature. Measurement results of Qf proved that the Al vacancy of the bulk film may not be related to Qf. The defect density in the SiOx region affected the chemical passivation, but other factors may dominantly influence chemical passivation at 750°C. PMID:23452508

Fabrication of Bi2223 bulks with high critical current properties sintered in Ag tubes

NASA Astrophysics Data System (ADS)

Takeda, Yasuaki; Shimoyama, Jun-ichi; Motoki, Takanori; Kishio, Kohji; Nakashima, Takayoshi; Kagiyama, Tomohiro; Kobayashi, Shin-ichi; Hayashi, Kazuhiko

2017-03-01

Randomly grain oriented Bi2223 sintered bulks are one of the representative superconducting materials having weak-link problem due to very short coherence length particularly along the c-axis, resulting in poor intergrain Jc properties. In our previous studies, sintering and/or post-annealing under moderately reducing atmospheres were found to be effective for improving grain coupling in Bi2223 sintered bulks. Further optimizations of the synthesis process for Bi2223 sintered bulks were attempted in the present study to enhance their intergrain Jc. Effects of applied pressure of uniaxial pressing and sintering conditions on microstructure and superconducting properties have been systematically investigated. The best sample showed intergrain Jc of 2.0 kA cm-2 at 77 K and 8.2 kA cm-2 at 20 K, while its relative density was low ∼65%. These values are quite high as for a randomly oriented sintered bulk of cuprate superconductors.

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

Monnai, Akihiko; Mukherjee, Swagato; Yin, Yi

In the proximity of the QCD critical point the bulk viscosity of quark-gluon matter is expected to be proportional to nearly the third power of the critical correlation length, and become significantly enhanced. Here, this work is the first attempt to study the phenomenological consequences of enhanced bulk viscosity near the QCD critical point. For this purpose, we implement the expected critical behavior of the bulk viscosity within a non-boost-invariant, longitudinally expanding 1 + 1 dimensional causal relativistic hydrodynamical evolution at nonzero baryon density. We demonstrate that the critically enhanced bulk viscosity induces a substantial nonequilibrium pressure, effectively softening themore » equation of state, and leads to sizable effects in the flow velocity and single-particle distributions at the freeze-out. In conclusion, the observable effects that may arise due to the enhanced bulk viscosity in the vicinity of the QCD critical point can be used as complementary information to facilitate searches for the QCD critical point.« less

A comparison of freeze-drying and oven-drying preparation methods for bulk and compound-specific carbon stable isotope analyses: examples using the benthic macroinvertebrates Stenopsyche marmorata and Epeorus latifolium.

PubMed

Akamatsu, Fumikazu; Suzuki, Yaeko; Kato, Yoshikazu; Yoshimizu, Chikage; Tayasu, Ichiro

2016-01-15

Carbon stable isotope analysis of bulk samples and fatty acids is an established method for tracing carbon flow pathways and reconstructing trophic interactions, but there is no consensus on which sample drying method should be used for sample preparation. The aim of this study was to determine if freeze-drying and oven-drying treatments used to prepare samples of the benthic macroinvertebrates Stenopsyche marmorata and Epeorus latifolium for bulk and fatty-acid-specific carbon stable isotope analysis yield different isotopic ratio values. Five individuals each from two species were split in half; one half was freeze-dried and the other half was oven-dried. The samples were ground and the δ(13)C values of the bulk samples and eight fatty acids were measured following combustion using an isotope ratio mass spectrometer coupled to an elemental analyzer or gas chromatography system. The mean difference in the bulk and fatty acid δ(13)C values between freeze-dried and oven-dried samples was small (≤0.1‰ in both cases), although relatively large variations were observed in individual fatty-acid-specific δ(13)C values (maximum of ≤0.9 ‰). There were no significant differences in either bulk sample or fatty-acid-specific δ(13)C values between freeze-dried or oven-dried samples of the same species. Freeze-drying and oven-drying are equally acceptable methods for preparing freshly caught S. marmorata and E. latifolium samples for bulk and fatty-acid-specific carbon stable isotope analyses. Copyright © 2015 John Wiley & Sons, Ltd.

House dust in seven Danish offices

NASA Astrophysics Data System (ADS)

Mølhave, L.; Schneider, T.; Kjærgaard, S. K.; Larsen, L.; Norn, S.; Jørgensen, O.

Floor dust from Danish offices was collected and analyzed. The dust was to be used in an exposure experiment. The dust was analyzed to show the composition of the dust which can be a source of airborne dust indoors. About 11 kg of dust from vacuum cleaner bags from seven Danish office buildings with about 1047 occupants (12 751 m 2) was processed according to a standardized procedure yielding 5.5 kg of processed bulk dust. The bulk dust contained 130.000-160.000 CFU g -1 microorganisms and 71.000-90.000 CFU g -1 microfungi. The content of culturable microfungi was 65-123 CFU 30 g -1 dust. The content of endotoxins ranged from 5.06-7.24 EU g -1 (1.45 ng g -1 to 1.01 ng g -1). Allergens (ng g -1) were from 147-159 (Mite), 395-746 (dog) and 103-330 (cat). The macro molecular organic compounds (the MOD-content) varied from 7.8-9.8 mg g -1. The threshold of release of histamine from basophil leukocytes provoked by the bulk dust was between 0.3 and 1.0 mg ml -1. The water content was 2% (WGT) and the organic fraction 33%. 6.5-5.9% (dry) was water soluble. The fiber content was less than 0.2-1.5% (WGT) and the desorbable VOCs was 176-319 μg g -1. Most of the VOC were aldehydes. However, softeners for plastic (DBP and DEHP) were present. The chemical composition includes human and animal skin fragments, paper fibers, glass wool, wood and textilefibers and inorganic and metal particles. The sizes ranged from 0.001-1 mm and the average specific density was 1.0 g m -3. The bulk dust was resuspended and injected into an exposure chamber. The airborne dust was sampled and analyzed to illustrate the exposures that can result from sedimented dirt and dust. The airborne dust resulting from the bulk dust reached concentrations ranging from 0.26-0.75 mg m -3 in average contained 300-170 CFU m -3. The organic fraction was from 55-70% and the water content about 2.5% (WGT). The content of the dust was compared to the similar results reported in the literature and its toxic potency is estimated to be relatively low. The storage of the bulk dust during the experiment had little effect on the specific biological and chemical composition.

Methanol and ethanol electroxidation using Pt electrodes prepared by the polymeric precursor method

NASA Astrophysics Data System (ADS)

Freitas, R. G.; Santos, M. C.; Oliveira, R. T. S.; Bulhões, L. O. S.; Pereira, E. C.

The results of methanol and ethanol oxidation in acidic medium on Pt electrodes deposited on Ti substrate using the Pechini method are presented. In this route the metallic salts were dissolved in a mixture of ethylene glycol (EG) and citric acid (CA) forming a polyester network, which is painted onto a Ti substrate and then heat treated at 600 °C in order to obtain the metallic Pt thin films. The X-ray diffraction analysis showed the presence of Pt pattern peaks. The presence of the (4 2 0) plane in a higher amount compared to bulk Pt was observed and the peak position of the planes (2 0 0) and (4 2 0) were displaced by approximately -0.3°. The roughness data presented almost the same values for Ti and Ti/Pt. The electrochemical characterization of the electrodes in 0.1 M HClO 4 showed a typical Pt voltammetric profile. Although the voltammetric profiles of Ti/Pt and bulk Pt were the same, the electrocatalytical behavior for methanol oxidation showed an enhancement of the oxidation current density peak, which increased by 170% compared to bulk platinum. Although, the current density peak for ethanol oxidation on Ti/Pt is smaller than for Pt, it began at 0.11 V less positive than the same process on bulk Pt. The chronoamperometric experiments for methanol and ethanol oxidation on Ti/Pt increased by almost 934% and 440%, respectively, compared with Pt bulk.

Simulation of Field Dependence of Critical Current Densities of Bulk High Tc Superconducting Materials regarding Thermally Activated Flux Motion

NASA Astrophysics Data System (ADS)

Santosh, M.; Naik, S. Pavan Kumar; Koblischka, M. R.

2017-07-01

In the upcoming generation, bulk high temperature superconductors (HTS) will play a crucial and a promising role in numerous industrial applications ranging from Maglev trains to magnetic resonance imaging, etc. Especially, the bulk HTS as permanent magnets are suitable due to the fact that they can trap magnetic fields being several orders of magnitude higher than those of the best hard ferromagnets. The bulk HTS LREBa2Cu3O7-δ (LREBCO or LRE-123, LRE: Y, Gd, etc.,) materials could obtain very powerful compact superconducting super-magnets, which can be operated at the cheaper liquid nitrogen temperature or below due to higher critical temperatures (i.e., ∼90 K). As a result, the new advanced technology can be utilized in a more attractive manner for a variety of technological and medical applications which have the capacity to revolutionize the field. An understanding of the magnetic field dependence of the critical current density (J c(H)) is important to develop better adapted materials. To achieve this goal, a variety of Jc (H) behaviours of bulk LREBCO samples were modelled regarding thermally activated flux motion. In essence, the Jc (H) curves follows a certain criterion where an exponential model is applied. However, to fit the complete Jc (H) curve of the LRE-123 samples an unique model is necessary to explain the behavior at low and high fields. The modelling of the various superconducting materials could be understood in terms of the pinning mechanisms.

Exchange-Correlation Hole in Polarized Insulators: Implications for the Microscopic Functional Theory of Dielectrics

NASA Astrophysics Data System (ADS)

Ortiz, Gerardo; Souza, Ivo; Martin, Richard M.

1998-01-01

We present a simple and direct proof that the exchange-correlation hole, and therefore the exchange-correlation energy, in a polarized insulator is not determined by the bulk density alone. It is uniquely characterized by the density and the macroscopic electric polarization of the dielectric medium.

Constructing the AdS dual of a Fermi liquid: AdS black holes with Dirac hair

NASA Astrophysics Data System (ADS)

Čubrović, Mihailo; Zaanen, Jan; Schalm, Koenraad

2011-10-01

We provide evidence that the holographic dual to a strongly coupled charged Fermi liquid has a non-zero fermion density in the bulk. We show that the pole-strength of the stable quasiparticle characterizing the Fermi surface is encoded in the AdS probability density of a single normalizable fermion wavefunction in AdS. Recalling Migdal's theorem which relates the pole strength to the Fermi-Dirac characteristic discontinuity in the number density at ω F , we conclude that the AdS dual of a Fermi liquid is described by occupied on-shell fermionic modes in AdS. Encoding the occupied levels in the total spatially averaged probability density of the fermion field directly, we show that an AdS Reissner-Nordström black holein a theory with charged fermions has a critical temperature, at which the system undergoes a first-order transition to a black hole with a non-vanishing profile for the bulk fermion field. Thermodynamics and spectral analysis support that the solution with non-zero AdS fermion-profile is the preferred ground state at low temperatures.

Influence of moisture content on physical properties of minor millets.

PubMed

Balasubramanian, S; Viswanathan, R

2010-06-01

Physical properties including 1000 kernel weight, bulk density, true density, porosity, angle of repose, coefficient of static friction, coefficient of internal friction and grain hardness were determined for foxtail millet, little millet, kodo millet, common millet, barnyard millet and finger millet in the moisture content range of 11.1 to 25% db. Thousand kernel weight increased from 2.3 to 6.1 g and angle of repose increased from 25.0 to 38.2°. Bulk density decreased from 868.1 to 477.1 kg/m(3) and true density from 1988.7 to 884.4 kg/m(3) for all minor millets when observed in the moisture range of 11.1 to 25%. Porosity decreased from 63.7 to 32.5%. Coefficient of static friction of minor millets against mild steel surface increased from 0.253 to 0.728 and coefficient of internal friction was in the range of 1.217 and 1.964 in the moisture range studied. Grain hardness decreased from 30.7 to 12.4 for all minor millets when moisture content was increased from 11.1 to 25% db.

Determination of mass density, dielectric, elastic, and piezoelectric constants of bulk GaN crystal.

PubMed

Soluch, Waldemar; Brzozowski, Ernest; Lysakowska, Magdalena; Sadura, Jolanta

2011-11-01

Mass density, dielectric, elastic, and piezoelectric constants of bulk GaN crystal were determined. Mass density was obtained from the measured ratio of mass to volume of a cuboid. The dielectric constants were determined from the measured capacitances of an interdigital transducer (IDT) deposited on a Z-cut plate and from a parallel plate capacitor fabricated from this plate. The elastic and piezoelectric constants were determined by comparing the measured and calculated SAW velocities and electromechanical coupling coefficients on the Z- and X-cut plates. The following new constants were obtained: mass density p = 5986 kg/m(3); relative dielectric constants (at constant strain S) ε(S)(11)/ε(0) = 8.6 and ε(S)(11)/ε(0) = 10.5, where ε(0) is a dielectric constant of free space; elastic constants (at constant electric field E) C(E)(11) = 349.7, C(E)(12) = 128.1, C(E)(13) = 129.4, C(E)(33) = 430.3, and C(E)(44) = 96.5 GPa; and piezoelectric constants e(33) = 0.84, e(31) = -0.47, and e(15) = -0.41 C/m(2).

AFM-porosimetry: density and pore volume measurements of particulate materials.

PubMed

Sörensen, Malin H; Valle-Delgado, Juan J; Corkery, Robert W; Rutland, Mark W; Alberius, Peter C

2008-06-01

We introduced the novel technique of AFM-porosimetry and applied it to measure the total pore volume of porous particles with a spherical geometry. The methodology is based on using an atomic force microscope as a balance to measure masses of individual particles. Several particles within the same batch were measured, and by plotting particle mass versus particle volume, the bulk density of the sample can be extracted from the slope of the linear fit. The pore volume is then calculated from the densities of the bulk and matrix materials, respectively. In contrast to nitrogen sorption and mercury porosimetry, this method is capable of measuring the total pore volume regardless of pore size distribution and pore connectivity. In this study, three porous samples were investigated by AFM-porosimetry: one ordered mesoporous sample and two disordered foam structures. All samples were based on a matrix of amorphous silica templated by a block copolymer, Pluronic F127, swollen to various degrees with poly(propylene glycol). In addition, the density of silica spheres without a template was measured by two independent techniques: AFM and the Archimedes principle.

Reliability Studies of Ceramic Capacitors.

DTIC Science & Technology

1984-10-01

Virginia Polytechnic BaTiO 3 Ispecimens with variable composition, density and grain size to be used to make carrier concentration, mobility, thermoelectric ...low fields, observed steady-state electrical behavior will be controlled by the bulk properties of the insulator, the second phase of the conduction...carrier mobility E =applied field Note that bulk properties of the Insulator control the conduction process. From this equation it can be seen that a

Density functional theory study of defect energies and space charge distribution at a solid-oxide electrolyte surface

NASA Astrophysics Data System (ADS)

Han, Chu; Bongiorno, Angelo

2014-03-01

Yttrium-doped barium zirconate (BZY) is a proton conducting electrolyte forming a class of novel materials for new generation of solid oxide fuel cells, for hydrogen separation and purification, and for electrolysis of water. Here we use density functional theory calculations to compute the energy of protons and oxygen vacancies at the surface and in the bulk of lightly Y-doped BZY materials. We found that protons are energetically more stable at the surface termination than in the bulk of BZY by about 1 eV. In contrast, doubly-positively charged oxygen vacancies are found to form iso-energetic defects at both the terminal surface layer and in the bulk of BZY, while in the sub-surface region the defect energy raises by about 1 eV with respect to the value in the bulk. The energetic behavior of protons and oxygen vacancies in the near surface region of BZY is attributed to the competition of strain and electrostatic effects. Lattice model representations of BZY surfaces are then used in combination with Monte Carlo simulations to solve the Poisson-Boltzmann equation and investigate the implication of the results above on the structure of the space charge region at the surface of BZY materials.

An efficient and economical way to enhance the performance of present HTS Maglev systems by utilizing the anisotropy property of bulk superconductors

NASA Astrophysics Data System (ADS)

Deng, Zigang; Wang, Jiasu; Zheng, Jun; Zhang, Ya; Wang, Suyu

2013-02-01

We report a simple, efficient and economical way to enhance the levitation or guidance performance of present high-temperature superconducting (HTS) Maglev systems by exploring the anisotropic properties of the critical current density in the a-b plane and along the c-axis of bulk superconductors. In the method, the bulk laying mode with different c-axis directions is designed to match with the magnetic field configuration of the applied permanent magnet guideway (PMG). Experimental results indicate that more than a factor of two improvement in the levitation force or guidance force is achieved when changing the laying mode of bulk superconductors from the traditional fashion of keeping the c-axis vertical to the PMG surface to the studied one of keeping the c-axis parallel to the PMG surface, at the maximum horizontal and vertical magnetic field positions of the PMG, respectively. These phenomena resulted from the physical nature of the generated levitation force and guidance force (electromagnetic forces) and the fact that there are different critical current densities in the a-b plane and along the c axis. Based on the experimental results, new HTS Maglev systems can be designed to meet the requirements of practical heavy-load or curved-route applications.

Energy and Pitch Distribution of Spontaneously-generated High-energy Bulk Ions in the RFP

NASA Astrophysics Data System (ADS)

Kim, Jungha; Anderson, Jay; Reusch, Joshua; Eilerman, Scott; Capecchi, William

2014-10-01

Magnetic reconnection events in the reversed field pinch (RFP) are known to heat bulk and impurity ions. Runaway due to a parallel electric field has recently been confirmed as an important acceleration mechanism for high energy test ions supplied by a neutral beam. This effect does not, however, explain the change in distribution of nearly Maxwellian bulk ions at a reconnection event. By operating MST near maximum current and low electron density, significant fusion neutron flux can be generated without neutral beam injection. The bulk ion distribution created in these plasmas is well-confined, non-Maxwellian, and can be measured by the Advanced Neutral Particle Analyzer (ANPA) placed at a radial or tangential porthole. Data show a high energy tail up to 25 keV with a relatively higher signal in the low energy channels (8-15 keV) at the radial port following a reconnection event. Analysis of the energy dependence of trapped orbits sampled by the ANPA at the radial view implies an abundance of lower energy particles in regions of higher neutral density. This mandates a careful deconvolution of the measured ANPA signal to compute the fast ion distribution. This work is supported by the US DOE and NSF.

Effect of surface coating with magnesium stearate via mechanical dry powder coating approach on the aerosol performance of micronized drug powders from dry powder inhalers.

PubMed

Zhou, Qi Tony; Qu, Li; Gengenbach, Thomas; Larson, Ian; Stewart, Peter J; Morton, David A V

2013-03-01

The objective of this study was to investigate the effect of particle surface coating with magnesium stearate on the aerosolization of dry powder inhaler formulations. Micronized salbutamol sulphate as a model drug was dry coated with magnesium stearate using a mechanofusion technique. The coating quality was characterized by X-ray photoelectron spectroscopy. Powder bulk and flow properties were assessed by bulk densities and shear cell measurements. The aerosol performance was studied by laser diffraction and supported by a twin-stage impinger. High degrees of coating coverage were achieved after mechanofusion, as measured by X-ray photoelectron spectroscopy. Concomitant significant increases occurred in powder bulk densities and in aerosol performance after coating. The apparent optimum performance corresponded with using 2% w/w magnesium stearate. In contrast, traditional blending resulted in no significant changes in either bulk or aerosolization behaviour compared to the untreated sample. It is believed that conventional low-shear blending provides insufficient energy levels to expose host micronized particle surfaces from agglomerates and to distribute guest coating material effectively for coating. A simple ultra-high-shear mechanical dry powder coating step was shown as highly effective in producing ultra-thin coatings on micronized powders and to substantially improve the powder aerosolization efficiency.

The geochemical and petrological characteristics of prenatal caldera volcano: a case of the newly formed small dacitic caldera, Hijiori, Northeast Japan

NASA Astrophysics Data System (ADS)

Miyagi, Isoji; Kita, Noriko; Morishita, Yuichi

2017-09-01

Evaluating the magma depth and its physical properties is critical to conduct a better geophysical assessment of magma chambers of caldera volcanoes that may potentially cause future volcanic hazards. To understand pre-eruptive conditions of a magma chamber before its first appearance at the surface, this paper describes the case of Hijiori caldera volcano in northeastern Japan, which emerged approximately 12,000 years ago at a place where no volcano ever existed. We estimated the depth, density, bulk modulus, vesicularity, crystal content, and bulk H_2O content of the magma chamber using petrographic interpretations, bulk and microchemical compositions, and thermodynamic calculations. The chemical mass balance calculations and thermodynamic modeling of the erupted magmas indicate that the upper portion of the Hijiori magmatic plumbing system was located at depths between 2 and 4 km, and had the following characteristics: (1) pre-eruptive temperature: about 780 °C; (2) bulk magma composition: 66 ± 1.5 wt% SiO2; (3) bulk magmatic H_2O: approximately 2.5 wt%, and variable characteristics that depend on depth; (4) crystal content: ≤57 vol%; (5) bulk modulus of magma: 0.1-0.8 GPa; (6) magma density: 1.8-2.3 g/cm3; and (7) amount of excess magmatic H_2O: 11-32 vol% or 48-81 mol%. The range of melt water contents found in quartz-hosted melt inclusions (2-9 wt%) suggests the range of depth phenocrysts growth to be wide (2˜13 km). Our data suggest the presence of a vertically elongated magma chamber whose top is nearly solidified but highly vesiculated; this chamber has probably grown and re-mobilized by repeated injections of a small amount of hot dacitic magma originated from the depth.

The Influence of Cement Morphology Parameters on the Strength of the Cement-Bone Interface in Tibial Tray Fixation.

PubMed

Nagel, Katrin; Bishop, Nicholas E; Schlegel, Ulf J; Püschel, Klaus; Morlock, Michael M

2017-02-01

The strength of the cement-bone interface in tibial component fixation depends on the morphology of the cement mantle. The purpose of this study was to identify thresholds of cement morphology parameters to maximize fixation strength using a minimum amount of cement. Twenty-three cadaveric tibiae were analyzed that had been implanted with tibial trays in previous studies and for which the pull-out strength of the tray had been measured. Specimens were separated into a group failing at the cement-bone interface (INTERFACE) and one failing in the bulk bone (BULK). Maximum pull-out strength corresponds to the ultimate strength of the bulk bone if the cement-bone interface is sufficiently strong. 3D models of the cement mantle in situ were reconstructed from computed tomography scans. The influences of bone mineral density and 6 cement morphology parameters (reflecting cement penetration, bone-cement interface, cement volume) on pull-out strength of the BULK group were determined using multiple regression analysis. The threshold of each parameter for classification of the specimens into either group was determined using receiver operating characteristic analysis. Cement penetration exceeding a mean of 1.1 mm or with a maximum of 5.6 mm exclusively categorized all BULK bone failure specimens. Failure strength of BULK failure specimens increased with bone mineral density (R 2  = 0.67, P < .001) but was independent of the cement morphology parameters. To maximize fixation strength, a mean cement penetration depth of at least 1.1 mm should be achieved during tibial tray cementing. Copyright © 2016 Elsevier Inc. All rights reserved.

Effect of confinement in nano-porous materials on the solubility of a supercritical gas

NASA Astrophysics Data System (ADS)

Hu, Yaofeng; Huang, Liangliang; Zhao, Shuangliang; Liu, Honglai; Gubbins, Keith E.

2016-11-01

By combining Gibbs Ensemble Monte Carlo simulations and density functional theory, we investigate the influence of confinement in a slit-shaped carbon pore on the solubility of a supercritical solute gas in a liquid solvent. In the cases studied here, competing adsorption of the solvent and solute determines whether the solubility is enhanced or suppressed for larger pores. We find that the solubility in the confined system is strongly dependent on pore width, and that molecular packing effects are important for small pore widths. In addition, the solubility decreases on increase in the temperature, as for the bulk mixture, but the rate of decrease is greater in the pore due to a decrease in the partial molar enthalpy of the solute in the pore; this effect becomes greater as pore width is decreased. The solubility is increased on increasing the bulk pressure of the gas in equilibrium with the pore, and obeys Henry's law at lower pressures. However, the Henry constant differs significantly from that for the bulk mixture, and the range of pressure over which Henry's law applies is reduced relative to that for the bulk mixture. The latter observation indicates that solute-solute interactions become more important in the pore than for the bulk at a given bulk pressure. Finally, we note that different authors use different definitions of the solubility in pores, leading to some confusion over the reported phenomenon of 'oversolubility'. We recommend that solubility be defined as the overall mole fraction of solute in the pores, since it takes into account the increase in density of the solvent in the pores, and avoids ambiguity in the definition of the pore volume.

Kondo interactions from band reconstruction in YbInCu 4

DOE PAGES

Jarrige, I.; Kotani, A.; Yamaoka, H.; ...

2015-03-27

We combine resonant inelastic X-ray scattering (RIXS) and model calculations in the Kondo lattice compound YbInCu₄, a system characterized by a dramatic increase in Kondo temperature and associated valence fluctuations below a first-order valence transition at T≃42 K. In this study, the bulk-sensitive, element-specific, and valence-projected charge excitation spectra reveal an unusual quasi-gap in the Yb-derived state density which drives an instability of the electronic structure and renormalizes the low-energy effective Hamiltonian at the transition. Our results provide long-sought experimental evidence for a link between temperature-driven changes in the low-energy Kondo scale and the higher-energy electronic structure of this system.

First-Principles Framework to Compute Sum-Frequency Generation Vibrational Spectra of Semiconductors and Insulators.

PubMed

Wan, Quan; Galli, Giulia

2015-12-11

We present a first-principles framework to compute sum-frequency generation (SFG) vibrational spectra of semiconductors and insulators. The method is based on density functional theory and the use of maximally localized Wannier functions to compute the response to electric fields, and it includes the effect of electric field gradients at surfaces. In addition, it includes quadrupole contributions to SFG spectra, thus enabling the verification of the dipole approximation, whose validity determines the surface specificity of SFG spectroscopy. We compute the SFG spectra of ice I_{h} basal surfaces and identify which spectra components are affected by bulk contributions. Our results are in good agreement with experiments at low temperature.

Dangling bond defects in SiC: An ab initio study

NASA Astrophysics Data System (ADS)

Tuttle, Blair R.

2018-01-01

We report first-principles microscopic calculations of the properties of defects with dangling bonds in crystalline 3 C -SiC. Specifically, we focus on hydrogenated Si and C vacancies, divacancies, and multivacancies. The latter is a generic model for an isolated dangling bond within a bulk SiC matrix. Hydrogen serves to passivate electrically active defects to allow the isolation of a single dangling-bond defect. We used hybrid density-functional methods to determine energetics and electrical activity. The present results are compared to previous 3 C -SiC calculations and experiments. Finally, we identify homopolar carbon dangling-bond defects as the leakage causing defects in nanoporous SiC alloys.

Hardrock Elastic Physical Properties: Birch's Seismic Parameter Revisited

NASA Astrophysics Data System (ADS)

Wu, M.; Milkereit, B.

2014-12-01

Identifying rock composition and properties is imperative in a variety of fields including geotechnical engineering, mining, and petroleum exploration, in order to accurately make any petrophysical calculations. Density is, in particular, an important parameter that allows us to differentiate between lithologies and estimate or calculate other petrophysical properties. It is well established that compressional and shear wave velocities of common crystalline rocks increase with increasing densities (i.e. the Birch and Nafe-Drake relationships). Conventional empirical relations do not take into account S-wave velocity. Physical properties of Fe-oxides and massive sulfides, however, differ significantly from the empirical velocity-density relationships. Currently, acquiring in-situ density data is challenging and problematic, and therefore, developing an approximation for density based on seismic wave velocity and elastic moduli would be beneficial. With the goal of finding other possible or better relationships between density and the elastic moduli, a database of density, P-wave velocity, S-wave velocity, bulk modulus, shear modulus, Young's modulus, and Poisson's ratio was compiled based on a multitude of lab samples. The database is comprised of isotropic, non-porous metamorphic rock. Multi-parameter cross plots of the various elastic parameters have been analyzed in order to find a suitable parameter combination that reduces high density outliers. As expected, the P-wave velocity to S-wave velocity ratios show no correlation with density. However, Birch's seismic parameter, along with the bulk modulus, shows promise in providing a link between observed compressional and shear wave velocities and rock densities, including massive sulfides and Fe-oxides.

An ab initio study of the structure and dynamics of bulk liquid Ag and its liquid-vapor interface

NASA Astrophysics Data System (ADS)

Gonzalez Del Rio, Beatriz; Gonzalez Tesedo, Luis Enrique; Gonzalez Fernandez, David Jose

Several static and dynamic properties of bulk liquid Ag at a thermodynamic state near its triple point have been calculated by means of ab initio molecular dynamics simulations. The calculated static structure shows a very good agreement with the available experimental data. The dynamical structure reveals collective density excitations with an associated dispersion relation which points to a small positive dispersion. Results are also reported at a slightly higher temperature in order to study the structure of the free liquid surface. The ionic density profile shows an oscillatory behaviour with two different wavelenghts, as the spacing between the outer and first inner layer is different from that between the other inner layers.

Relationships between soil moisture-holding properties and soil texture, organic matter content, and bulk density

NASA Technical Reports Server (NTRS)

Riley, H. C. F.

1981-01-01

Specimens from the surface horizon and the subsoil of 62 soil horizons in Hedmark and Oppland were investigated to study how the mechanical composition of the soil, the organic matter content and the bulk density affect their porosity and air capacity and their total and available water content. Most of the specimens belonged to the loam group, and a smaller number was from sandy and silty types of soil. Equations were established to make it possible to calculate the water retention curves and the amount of available water from the above mentioned parameters. As a rule, errors derived from the equations are no greater than those which are found in similar research in other countries.

Mechanical properties of novel forms of graphyne under strain: A density functional theory study

NASA Astrophysics Data System (ADS)

Majidi, Roya

2017-06-01

The mechanical properties of two forms of graphyne sheets named α-graphyne and α2-graphyne under uniaxial and biaxial strains were studied. In-plane stiffness, bulk modulus, and shear modulus were calculated based on density functional theory. The in-plane stiffness, bulk modulus, and shear modulus of α2-graphyne were found to be larger than that of α-graphyne. The maximum values of supported uniaxial and biaxial strains before failure were determined. The α-graphyne was entered into the plastic region with the higher magnitude of tension in comparison to α2-graphyne. The mechanical properties of α-graphyne family revealed that these forms of graphyne are proper materials for use in nanomechanical applications.

Optimization of Sour Cherry Juice Spray Drying as
Affected by Carrier Material and Temperature

PubMed Central

Zorić, Zoran; Pedisić, Sandra; Dragović-Uzelac, Verica

2016-01-01

Summary Response surface methodology was applied for optimization of the sour cherry Marasca juice spray drying process with 20, 30 and 40% of carriers maltodextrin with dextrose equivalent (DE) value of 4–7 and 13–17 and gum arabic, at three drying temperatures: 150, 175 and 200 °C. Increase in carrier mass per volume ratio resulted in lower moisture content and powder hygroscopicity, higher bulk density, solubility and product yield. Higher temperatures decreased the moisture content and bulk density of powders. Temperature of 200 °C and 27% of maltodextrin with 4–7 DE were found to be the most suitable for production of sour cherry Marasca powder. PMID:28115901

A role for charcoal's physical properties in its carbon cycle fluxes

NASA Astrophysics Data System (ADS)

Masiello, C. A.; Dugan, B.; Gao, X.; Pyle, L.; Sorrenti, G.; LaMere, L.; Liu, Z.; Zygourakis, K.

2016-12-01

The production of charcoal by fire generates a pool of soil carbon that is more biologically resistant to decomposition than many other forms of soil organic matter, and in some cases charcoal accumulates on the landscape. In other situations, however, charcoal does not accumulate, and is rapidly lost to rivers and eventually delivered to the ocean, where it can form a significant component of sedimentary organic carbon. The physical properties of charcoal form one basic dimension controlling whether charcoal is stored on the landscape or whether it moves to rivers and eventually marine sediments. It is simple to understand how charcoal density and porosity can play a crucial role in its mobility on the landscape: when charcoal pores are filled with air, the bulk density of charcoal can be as low as 0.25 g/cm3, and it will float and thus is easily transported with water runoff. As pores fill with water or soil minerals, the bulk density increases and can exceed 1 g/cm3, which will promote sinking and decrease mobility. For example, a charcoal with an internal porosity of 30% must have 90% of the pores saturated with water to achieve a bulk density greater than 1 g/cm3. Alternately for that same charcoal 20% of charcoal pores would need to infill with soil minerals (mineral density = 3.8 g/cm3) to achieve a density greater than 1 g/cm3. This mineral-infilling process has not been widely observed. Instead, early laboratory and field data suggest that the soil minerals partially block pores in charcoal and this process slows the rate of water transport into charcoal pores. If widespread, this process of partial pore throat occlusion may limit the rate of biochar saturation and thus help control the long-term landscape fate of charcoal.

Distortion of bulk-ion distribution function due to nuclear elastic scattering and its effect on T(d,n)4He reaction rate coefficient in neutral-beam-injected deuterium-tritium plasmas

NASA Astrophysics Data System (ADS)

Matsuura, H.; Nakao, Y.

2007-05-01

An effect of nuclear elastic scattering on the rate coefficient of fusion reaction between field deuteron and triton in the presence of neutral beam injection heating is studied. Without assuming a Maxwellian for bulk-ion distribution function, the Boltzmann-Fokker-Planck (BFP) equations for field (bulk) deuteron, field (bulk) triton, α-particle, and beam deuteron are simultaneously solved in an ITER-like deuterium-tritium thermonuclear plasma [R. Aymar, Fusion Eng. Des. 55, 107 (2001)]. The BFP calculation shows that enhancement of the reaction rate coefficient due to knock-on tail formation in fuel-ion distribution functions becomes appreciable, especially in the case of low-density operations.

Comparative study of initial stages of copper immersion deposition on bulk and porous silicon

NASA Astrophysics Data System (ADS)

Bandarenka, Hanna; Prischepa, Sergey L.; Fittipaldi, Rosalba; Vecchione, Antonio; Nenzi, Paolo; Balucani, Marco; Bondarenko, Vitaly

2013-02-01

Initial stages of Cu immersion deposition in the presence of hydrofluoric acid on bulk and porous silicon were studied. Cu was found to deposit both on bulk and porous silicon as a layer of nanoparticles which grew according to the Volmer-Weber mechanism. It was revealed that at the initial stages of immersion deposition, Cu nanoparticles consisted of crystals with a maximum size of 10 nm and inherited the orientation of the original silicon substrate. Deposited Cu nanoparticles were found to be partially oxidized to Cu2O while CuO was not detected for all samples. In contrast to porous silicon, the crystal orientation of the original silicon substrate significantly affected the sizes, density, and oxidation level of Cu nanoparticles deposited on bulk silicon.

Maxon and roton measurements in nanoconfined 4He

NASA Astrophysics Data System (ADS)

Bryan, M. S.; Sokol, P. E.

2018-05-01

We investigate the behavior of the collective excitations of adsorbed 4He in an ordered hexagonal mesopore, examining the crossover from a thin film to a confined fluid. Here, we present the inelastic scattering results as a function of filling at constant temperature. We find a monotonic transition of the maxon excitation as a function of filling. This has been interpreted as corresponding to an increasing density of the adsorbed helium, which approaches the bulk value as filling increases. The roton minimum exhibits a more complicated behavior that does not monotonically approach bulk values as filling increases. The full pore scattering resembles the bulk liquid accompanied by a layer mode. The maxon and roton scattering, taken together, at intermediate fillings does not correspond to a single bulk liquid dispersion at negative, low, or high pressure.

Energy Level Alignment at Aqueous GaN and ZnO Interfaces

NASA Astrophysics Data System (ADS)

Hybertsen, Mark S.; Kharche, Neerav; Muckerman, James T.

2014-03-01

Electronic energy level alignment at semiconductor-electrolyte interfaces is fundamental to electrochemical activity. Motivated in particular by the search for new materials that can be more efficient for photocatalysis, we develop a first principles method to calculate this alignment at aqueous interfaces and demonstrate it for the specific case of non-polar GaN and ZnO interfaces with water. In the first step, density functional theory (DFT) based molecular dynamics is used to sample the physical interface structure and to evaluate the electrostatic potential step at the interface. In the second step, the GW approach is used to evaluate the reference electronic energy level separately in the bulk semiconductor (valence band edge energy) and in bulk water (the 1b1 energy level), relative to the internal electrostatic energy reference. Use of the GW approach naturally corrects for errors inherent in the use of Kohn-Sham energy eigenvalues to approximate the electronic excitation energies in each material. With this predicted interface alignment, specific redox levels in water, with potentials known relative to the 1b1 level, can then be compared to the semiconductor band edge positions. Our results will be discussed in the context of experiments in which photoexcited GaN and ZnO drive the hydrogen evolution reaction. Research carried out at Brookhaven National Laboratory under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy.

Characterization of Surface and Bulk Nitrates of γ-Al2O3-Supported Alkaline Earth Oxides using Density Functional Theory

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

Mei, Donghai; Ge, Qingfeng; Kwak, Ja Hun

2009-05-14

“Surface" and "bulk" nitrates formed on a series of alkaline earth oxides (AEOs), AE(NO3)2, were investigated using first-principles density functional theory calculations. The formation of these surface and bulk nitrates was modeled by the adsorption of NO2+NO3 pairs on gamma-Al2O3-supported monomeric AEOs (MgO, CaO, SrO, and BaO) and on the extended AEO(001) surfaces, respectively. The calculated vibrational frequencies of the surface and bulk nitrates based on our proposed models are in good agreement with experimental measurements of AEO/gamma-Al2O3 materials after prolonged NO2 exposure. This indicates that experimentally observed "surface" nitrates are most likely formed with isolated two dimensional (including monomeric)more » AEO clusters on the gamma-Al2O3 substrate, while the "bulk" nitrates are formed on exposed (including (001)) surfaces (and likely in the bulk as well) of large three dimensional AEO particles supported on the gamma-Al2O3 substrate. Also in line with the experiments, our calculations show that the low and high frequency components of the vibrations for both surface and bulk nitrates are systematically red shifted with the increasing basicity and cationic size of the AEOs. The adsorption strengths of NO2+NO3 pairs are nearly the same for the series of alumina-supported monomeric AEOs, while the adsorption strengths of NO2+NO3 pairs on the AEO surfaces increase in the order of MgO < CaO < SrO ~ BaO. Compared to the NO2+NO3 pair that only interacts with monomeric AEOs, the stability of NO2+NO3 pairs that interact with both the monomeric AEO and the gamma-Al2O3 substrate is enhanced by about 0.5 eV. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.« less

Molecular density functional theory of water including density-polarization coupling.

PubMed

Jeanmairet, Guillaume; Levy, Nicolas; Levesque, Maximilien; Borgis, Daniel

2016-06-22

We present a three-dimensional molecular density functional theory of water derived from first-principles that relies on the particle's density and multipolar polarization density and includes the density-polarization coupling. This brings two main benefits: (i) scalar density and vectorial multipolar polarization density fields are much more tractable and give more physical insight than the full position and orientation densities, and (ii) it includes the full density-polarization coupling of water, that is known to be non-vanishing but has never been taken into account. Furthermore, the theory requires only the partial charge distribution of a water molecule and three measurable bulk properties, namely the structure factor and the Fourier components of the longitudinal and transverse dielectric susceptibilities.

A New Method for the Determination of Annual Sediment Fluxes from Varved Lake Sediments

NASA Astrophysics Data System (ADS)

Francus, P.; Massa, C.; Lapointe, F.

2013-12-01

Calculation of sediment mass accumulation rates instead of thickness accumulation is preferable for paleoclimatic reconstruction as it eliminates the effects of dilution and compaction. Annually laminated lake sediment sequences (varved) theoretically allow for the estimation of sediment fluxes at annual scale, but the calculation is limited by discrete bulk density measurements, often carried out at a much lower resolution (usually 1 cm) than the varves (ranging from 0.07 to 27.3 mm, average 1.84 mm according to Ojala et al. 2012). Since many years the development of automated logging instruments made available continuous and high resolution sediment property data, in a non-destructive fashion. These techniques can easily be used to extract the physical and chemical parameters of sediments at the varve scale (down to 100 μm). Here we present a robust method to calculate annual sediment fluxes from varved lake sediments by combining varves thickness measurements to core logging data, and provide an example for its applications. Several non-destructive densitometric methods applied to the Strathcona Lake sediment, northern Ellesmere Island, Canada (78°33'N; 82°05'W) were compared: Hounsfield Units from a CT-Scan, coherent/incoherent ratio and X-ray radiography (of both split core and sediment slabs, from an Itrax core Scanner), and gamma ray attenuation density. Core logging data were statistically compared to 400 discrete measurements of dry bulk density, wet bulk density and water content performed at 2 mm contiguous intervals. A very strong relationship was found between X-ray grey level on sediment slab and dry bulk density. Relative X-ray densities, at 100μm resolution, were then successfully calibrated against real densities. The final step consisted in binning the calibrated densities to the corresponding varve thickness and then to calculate the annual mass accumulation rates by multiplying the two parameters for each varve year. Strathcona Lake is located directly downstream of the Agassiz ice cap and contains laminated sediments whose accumulation is directly related to hydrological inputs generated by the melting of the ice cap. Over the last 65 years, annual sediment accumulation rates in Strathcona Lake documented an increase in high-energy hydrologic discharge events from 1990 to 2009. This timing is in agreement with evidence for an increase in the amount of melt on the adjacent Agassiz Ice Cap, as recorded in ice cores. A good correspondence was also found between annual mass accumulation rates and Eureka air temperature records, suggesting that temperature changes affected the extent of summer melting on the Agassiz Ice Cap, leading to high sediment yield to Strathcona Lake. Ojala, A.E.K., Francus, P., Zolitschka, B., Besonen, M. and Lamoureux, S.F. (2012) Characteristics of sedimentary varve chronologies - A review. Quaternary Science Reviews, 43, 45-60.

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

Kristin Persson

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Observation of cyclotron resonance and electron-phonon coupling in surface states of the bulk-insulating topological insulator Cu 0.02Bi 2Se 3

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

Wu, Liang; Tse, Wang-Kong; Morris, C. M.

2015-02-05

We have utilized magneto-optical time-domain spectroscopy to investigate the low frequency optical response of topological insulator Cu 0.02Bi 2Se 3 and Bi 2Se 3 films. With both field and frequency depedence, such experiments give sufficient information to measure the mobility and carrier density of multiple conduction channels simultaneously. We observe sharp cyclotron resonances (CRs) in both samples. The small amount of Cu substitution into the Cu 0.02Bi 2Se 3 induces a true bulk insulator with only a single conduction channel with total sheet carrier density 4.9 x 10 12/cm 2 and mobility as large as 4000 cm 2/V s. Thismore » is consistent with pure topological surface state (TSSs) conduction with a chemical potential 150 meV above the Dirac point. Hence, a true topological insulator with an insulating bulk is realized. The CR broadens at high fields, an e ect that we attribute to an electron-phonon interaction. This assignment is supported by an extended Drude model analysis on the zero field data. In contrast to Cu 0.02Bi 2Se 3, two charge channels were observed in normal Bi 2Se 3 films. We demonstrate a method to distinguish between the dominant TSSs and trivial bulk/2DEG states. The dominant channel exhibits a CR with a carrier density of ~2.0 x 10 13/cm 2 and mobility ~3200 cm 2/V s, consistent with TSSs with a chemical potential ~350meV above the Dirac point.« less

Analysis of Pelletizing of Granulometric Separation Powder from Cork Industries

PubMed Central

Montero, Irene; Miranda, Teresa; Sepúlveda, Francisco José; Arranz, José Ignacio; Nogales, Sergio

2014-01-01

Cork industries generate a considerable amount of solid waste during their processing. Its management implies a problem for companies that should reconsider its reuse for other purposes. In this work, an analysis of pelletizing of granulometric separation powder, which is one of the major wastes in cork industries and which presents suitable properties (as an raw material) for its thermal use, is studied. However, its characteristic heterogeneity, along with its low bulk density (which makes its storage and transportation difficult) are restrictive factors for its energy use. Therefore, its densified form is a real alternative in order to make the product uniform and guarantee its proper use in boiler systems. Thus, the cork pellets (from granulometric separation powder) in the study met, except for ash content specification, the specifications in standard European Norm EN-Plus (B) for its application as fuel for domestic use. PMID:28788207

Analysis of Pelletizing of Granulometric Separation Powder from Cork Industries.

PubMed

Montero, Irene; Miranda, Teresa; Sepúlveda, Francisco José; Arranz, José Ignacio; Nogales, Sergio

2014-09-18

Cork industries generate a considerable amount of solid waste during their processing. Its management implies a problem for companies that should reconsider its reuse for other purposes. In this work, an analysis of pelletizing of granulometric separation powder, which is one of the major wastes in cork industries and which presents suitable properties (as an raw material) for its thermal use, is studied. However, its characteristic heterogeneity, along with its low bulk density (which makes its storage and transportation difficult) are restrictive factors for its energy use. Therefore, its densified form is a real alternative in order to make the product uniform and guarantee its proper use in boiler systems. Thus, the cork pellets (from granulometric separation powder) in the study met, except for ash content specification, the specifications in standard European Norm EN-Plus (B) for its application as fuel for domestic use.

Bulk and surface electronic structures of MgO

NASA Astrophysics Data System (ADS)

Schönberger, U.; Aryasetiawan, F.

1995-09-01

The bulk electronic structure of MgO is calculated from first principles including correlation effects within the GW approximation. The band gap, the position of the 2s O band, and the valence band width are in good agreement with experiment. From the quasiparticle band structure, optical transitions corresponding to the main optical absorption peaks are identified. The energy-loss spectrum is also calculated and compared with experiment. The surface electronic structure of MgO(100) is calculated self-consistently within the local-density approximation. It is found that states observed in a recent photoemission experiment outside the bulk allowed states are close to surface states.

Results of TV imaging of Phobos - Experiment VSK-Fregat

NASA Technical Reports Server (NTRS)

Avanesov, G.; Zhukov, B.; Ziman, IA.; Kostenko, V.; Kuz'min, A.; Duxbury, T.

1991-01-01

From February to March 1989 the Phobos 2 spacecraft took 37 TV images of Phobos at a distance of 190-1100 km. These images complement Mariner-9 and Viking data by providing higher-resolution coverage of a laarge region west of the crater Stickney (40-160 deg W) and by providing disk-resolved measurements of surface brightness at a greater range of wavelengths and additional phase angles. These images have supported updated mapping and characterization of large craters and grooves, and have provided additional observations of craters' and grooves' bright rims. Variations in surface visible/near-infrared color ratio of almost a factor of 2 have been recognized; these variations appear to be associated with the ejecta of specific large impact craters. Updated determinations of satellite mass and volume allow calculation of a more accurate value of bulk density, 1.90 + or - 0.1 g/cu cm. This is sigificantly lower than the density of meteoritic analogs to Phobos' surface, suggesting a porous interior perhaps containing interstitial ice.

Counting Active Sites on Titanium Oxide-Silica Catalysts for Hydrogen Peroxide Activation through In Situ Poisoning with Phenylphosphonic Acid

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

Eaton, Todd R.; Boston, Andrew M.; Thompson, Anthony B.

2015-06-04

Quantifying specific active sites in supported catalysts improves our understanding and assists in rational design. Supported oxides can undergo significant structural changes as surface densities increase from site-isolated cations to monolayers and crystallites, which changes the number of kinetically relevant sites. Herein, TiO x domains are titrated on TiO x–SiO 2 selectively with phenylphosphonic acid (PPA). An ex situ method quantifies all fluid-accessible TiO x, whereas an in situ titration during cis-cyclooctene epoxidation provides previously unavailable values for the number of tetrahedral Ti sites on which H 2O 2 activation occurs. We use this method to determine the active sitemore » densities of 22 different catalysts with different synthesis methods, loadings, and characteristic spectra and find a single intrinsic turnover frequency for cis-cyclooctene epoxidation of (40±7) h -1. This simple method gives molecular-level insight into catalyst structure that is otherwise hidden when bulk techniques are used.« less

Performance of ZnO based piezo-generators under controlled compression

NASA Astrophysics Data System (ADS)

Tao, Ran; Parmar, Mitesh; Ardila, Gustavo; Oliveira, Paulo; Marques, Daniel; Montès, Laurent; Mouis, Mireille

2017-06-01

This paper reports on the fabrication and characterization of ZnO based vertically integrated nanogenerator (VING) devices under controlled compression. The basic NG structure is a composite material integrating hydrothermally grown vertical piezoelectric zinc oxide (ZnO) nanowires (NWs) into a dielectric matrix (PMMA). A specific characterization set-up has been developed to control the applied compression and the perpendicularity of the applied force on the devices. The role of different fabrication parameters has been evaluated experimentally and compared with previously reported theoretical models, including the thickness of the top PMMA layer and the density of the NWs array in the matrix. Finally, the performance of the VING structure has been evaluated experimentally for different resistive loads obtaining a power density of 85 μW cm-3 considering only the active layer of the device. This has been compared to the performance of a commercial bulk layer of PZT (25 μW cm-3) under the same applied force of 5 N.

Computational modeling of latent-heat-storage in PCM modified interior plaster

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

Fořt, Jan; Maděra, Jiří; Trník, Anton

2016-06-08

The latent heat storage systems represent a promising way for decrease of buildings energy consumption with respect to the sustainable development principles of building industry. The presented paper is focused on the evaluation of the effect of PCM incorporation on thermal performance of cement-lime plasters. For basic characterization of the developed materials, matrix density, bulk density, and total open porosity are measured. Thermal conductivity is accessed by transient impulse method. DSC analysis is used for the identification of phase change temperature during the heating and cooling process. Using DSC data, the temperature dependent specific heat capacity is calculated. On themore » basis of the experiments performed, the supposed improvement of the energy efficiency of characteristic building envelope system where the designed plasters are likely to be used is evaluated by a computational analysis. Obtained experimental and computational results show a potential of PCM modified plasters for improvement of thermal stability of buildings and moderation of interior climate.« less

Supercapacitor electrode of nano-Co3O4 decorated with gold nanoparticles via in-situ reduction method

NASA Astrophysics Data System (ADS)

Tan, Yongtao; Liu, Ying; Kong, Lingbin; Kang, Long; Ran, Fen

2017-09-01

Nano-Co3O4 decorated with gold nanoparticles is synthesized by a simple method of in-situ reduction of HAuCl4 by sodium citrate for energy storage application, and the effect of gold content in the product on electrochemical performance is investigated in detail. Introducing gold nanoparticles into nano-Co3O4 bulk would contribute to reduce internal resistance of charge transmission. The results show that after in-situ reduction reaction gold nanoparticles imbed uniformly into nano-Co3O4 with irregular nanoparticles. The gold nanoparticles decorated nano-Co3O4 exhibits specific capacitance of 681 F g-1 higher than that of pristine Co3O4 of 368 F g-1. It is interesting that a good cycle life with the specific capacitance retention of 83.1% is obtained after 13000 cycles at 5 A g-1, which recovers to initial specific capacitance value when the test current density is turned to 2 A g-1. In addition, the device of asymmetric supercapacitor, assembled with gold nanoparticles decorated nano-Co3O4 as the positive electrode and activated carbon as the negative electrode, exhibits good energy density of 25 Wh kg-1, which is comparable to the asymmetric device assembled with normal nano-Co3O4, or the symmetric device assembled just with activated carbon.

Ligand Effects in Aluminum Cluster based Energetic Materials

DTIC Science & Technology

2017-09-01

was recently reported and the effect of their increased steric bulk is discussed here. Experimental results and density functional theory (DFT...analysis show that these clusters are enthalpically more stable than the Cp* variant, due primarily to non -covalent interactions (NCIs) across ligand...C5Me4iPr), two clusters similar to Al4Cp*4, was recently reported and the effect of their increased steric bulk is discussed here. Experimental

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

Paz-Soldan, C.; La Haye, R. J.; Shiraki, D.

DIII-D plasmas at very low density exhibit onset of n=1 error field (EF) penetration (the `low-density locked mode') not at a critical density or EF, but instead at a critical level of runaway electron (RE) intensity. Raising the density during a discharge does not avoid EF penetration, so long as RE growth proceeds to the critical level. Penetration is preceded by non-thermalization of the electron cyclotron emission, anisotropization of the total pressure, synchrotron emission shape changes, as well as decreases in the loop voltage and bulk thermal electron temperature. The same phenomena occur despite various types of optimal EF correction,more » and in some cases modes are born rotating. Similar phenomena are also found at the low-density limit in JET. These results stand in contrast to the conventional interpretation of the low-density stability limit as being due to residual EFs and demonstrate a new pathway to EF penetration instability due to REs. Existing scaling laws for penetration project to increasing EF sensitivity as bulk temperatures decrease, though other possible mechanisms include classical tearing instability, thermo-resistive instability, and pressure-anisotropy driven instability. Regardless of first-principles mechanism, known scaling laws for Ohmic energy confinement combined with theoretical RE production rates allow rough extrapolation of the RE criticality condition, and thus, the low-density limit to other tokamaks. Furthermore, the extrapolated low-density limit by this pathway decreases with increasing machine size and is considerably below expected operating conditions for ITER. While likely unimportant for ITER, this effect can explain the low-density limit of existing tokamaks operating with small residual EFs.« less

78 FR 31944 - International Conference on Harmonisation; Guidance on Q4B Evaluation and Recommendation of...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-28

...] International Conference on Harmonisation; Guidance on Q4B Evaluation and Recommendation of Pharmacopoeial Texts... ``Q4B Evaluation and Recommendation of Pharmacopoeial Texts for Use in the International Conference on... evaluation of the Bulk Density and Tapped Density of Powders General Chapter harmonized text from each of the...

Spatial variability of wildland fuel characteristics in northern Rocky Mountain ecosystems

Treesearch

Robert E. Keane; Kathy Gray; Valentina Bacciu

2012-01-01

We investigated the spatial variability of a number of wildland fuel characteristics for the major fuel components found in six common northern Rocky Mountain ecosystems. Surface fuel characteristics of loading, particle density, bulk density, and mineral content were measured for eight fuel components - four downed dead woody fuel size classes (1, 10, 100, 1000 hr),...

Rhizosphere: a leverage for tolerance to water deficits of soil microflora ?

NASA Astrophysics Data System (ADS)

Bérard, Annette; Ruy, Stéphane; Coronel, Anaïs; Toussaint, Bruce; Czarnes, Sonia; Legendre, Laurent; Doussan, Claude

2015-04-01

Microbial soil communities play a fundamental role in soil organic matter mineralization, which is a key process for plant nutrition, growth and production in agro-ecosystems. A number of these microbial processes take place in the rhizosphere: the soil zone influenced by plant roots activity, which is a "hotspot " of biological and physico-chemical activity, transfers and biomass production. The knowledge of rhizosphere processes is however still scanty, especially regarding the interactions between physico-chemical processes occurring there and soil microorganisms. The rhizosphere is a place where soil aggregates are more stable, and where bulk density, porosity, water and nutrients transfer are modified with respect to the bulk soil (e.g. because of production of mucilage, of which exo-polysaccharides (EPS) produced by roots and microorganisms. During a maize field experiment, rhizospheric soil (i.e. soil strongly adhering to maize roots) and bulk soil were sampled twice in spring and summer. These soil samples were characterized for physicochemical parameters (water retention curves and analysis of exopolysaccarides) and microflora (microbial biomass, catabolic capacities of the microbial communities assessed with the MicroRespTM technique, stability of soil microbial respiration faced to a heat-drought disturbance). We observed differences between rhizospheric and bulk soils for all parameters studied: Rhizospheric soils showed higher microbial biomasses, higher quantities of exopolysaccarides and a higher water retention capacity compared to bulk soil measurements. Moreover, microbial soil respiration showed a higher stability confronted to heat-drought stress in the rhizospheric soils compared to bulk soils. Results were more pronounced during summer compared to spring. Globally these data obtained from field suggest that in a changing climate conditions, the specific physico-biological conditions in the rhizosphere partially linked to exopolysaccarides, could induce stability (Resistance, Resilience) of soil microbial communities towards stresses, in particular severe drought. The knowledge of these interactions in the rhizosphere between local hydric soil properties and microbial behaviour facing drought, could allow a better understanding of the functioning of agro-ecosystems for their management in a changing climate.

K{sub 1.33}Mn{sub 8}O{sub 16} as an electrocatalyst and a cathode

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

Jalili, Seifollah, E-mail: sjalili@kntu.ac.ir; Computational Physical Sciences Research Laboratory, School of Nano-Science, Institute for Research in Fundamental Sciences; Moharramzadeh Goliaei, Elham

Density functional theory (DFT) calculations are carried out to investigate the electronic, magnetic and thermoelectric properties of bulk and nanosheet K{sub 1.33}Mn{sub 8}O{sub 16} materials. The catalytic activity and cathodic performance of bulk and nanosheet structures are examined using the Tran-Blaha modified Becke-Johnson (TB-mBJ) exchange potential. Electronic structure calculations reveal an anti-ferromagnetic ground state, with a TB-mMBJ band gap in bulk K{sub 1.33}Mn{sub 8}O{sub 16} that is in agreement with experimental results. Density of state plots indicate a partial reduction of Mn{sup 4+} ions to Mn{sup 3+}, without any obvious sign of Jahn-Teller distortion. Moreover, use of the O p-bandmore » center as a descriptor of catalytic activity suggests that the nanosheet has enhanced catalytic activity compared to the bulk structure. Thermoelectric parameters such as the Seebeck coefficient, electrical conductivity, and thermal conductivity are also calculated, and it is found that the Seebeck coefficients decrease with increasing temperature. High Seebeck coefficients for both spin-up and spin-down states are found in the nanosheet relative to their value in the bulk K{sub 1.33}Mn{sub 8}O{sub 16} structure, whereas the electrical and thermal conductivity are reduced relative to the bulk. In addition, figures of merit values are calculated as a function of the chemical potential and it is found that the nanosheet has a figure of merit of ~1 at room temperature, compared to 0.5 for the bulk material. All results suggest that K{sub 1.33}Mn{sub 8}O{sub 16} nanosheets can be used both as a material in waste heat recovery and as an electrocatalyst in fuel cells and batteries. - Graphical abstract: K{sub 1.33}Mn{sub 8}O{sub 16}: bulk and nanosheet. - Highlights: • Electronic properties of bulk and nanosheet forms of K{sub 1.33}Mn{sub 8}O{sub 16} have been studied. • The K{sub 1.33}Mn{sub 8}O{sub 16} nanosheet is a semiconductor while the bulk is a metal. • K{sub 1.33}Mn{sub 8}O{sub 16} Nanosheet is a more efficient electrocatalyst than bulk K{sub 1.33}Mn{sub 8}O{sub 16}. • High figure of merit of K{sub 1.33}Mn{sub 8}O{sub 16} nanosheet makes it an efficient cathode.« less

Optimum free energy in the reference functional approach for the integral equations theory

NASA Astrophysics Data System (ADS)

Ayadim, A.; Oettel, M.; Amokrane, S.

2009-03-01

We investigate the question of determining the bulk properties of liquids, required as input for practical applications of the density functional theory of inhomogeneous systems, using density functional theory itself. By considering the reference functional approach in the test particle limit, we derive an expression of the bulk free energy that is consistent with the closure of the Ornstein-Zernike equations in which the bridge functions are obtained from the reference system bridge functional. By examining the connection between the free energy functional and the formally exact bulk free energy, we obtain an improved expression of the corresponding non-local term in the standard reference hypernetted chain theory derived by Lado. In this way, we also clarify the meaning of the recently proposed criterion for determining the optimum hard-sphere diameter in the reference system. This leads to a theory in which the sole input is the reference system bridge functional both for the homogeneous system and the inhomogeneous one. The accuracy of this method is illustrated with the standard case of the Lennard-Jones fluid and with a Yukawa fluid with very short range attraction.

Estimation of Dry Fracture Weakness, Porosity, and Fluid Modulus Using Observable Seismic Reflection Data in a Gas-Bearing Reservoir

NASA Astrophysics Data System (ADS)

Chen, Huaizhen; Zhang, Guangzhi

2017-05-01

Fracture detection and fluid identification are important tasks for a fractured reservoir characterization. Our goal is to demonstrate a direct approach to utilize azimuthal seismic data to estimate fluid bulk modulus, porosity, and dry fracture weaknesses, which decreases the uncertainty of fluid identification. Combining Gassmann's (Vier. der Natur. Gesellschaft Zürich 96:1-23, 1951) equations and linear-slip model, we first establish new simplified expressions of stiffness parameters for a gas-bearing saturated fractured rock with low porosity and small fracture density, and then we derive a novel PP-wave reflection coefficient in terms of dry background rock properties (P-wave and S-wave moduli, and density), fracture (dry fracture weaknesses), porosity, and fluid (fluid bulk modulus). A Bayesian Markov chain Monte Carlo nonlinear inversion method is proposed to estimate fluid bulk modulus, porosity, and fracture weaknesses directly from azimuthal seismic data. The inversion method yields reasonable estimates in the case of synthetic data containing a moderate noise and stable results on real data.

Soft resonator of omnidirectional resonance for acoustic metamaterials with a negative bulk modulus

PubMed Central

Jing, Xiaodong; Meng, Yang; Sun, Xiaofeng

2015-01-01

Monopolar resonance is of fundamental importance in the acoustic field. Here, we present the realization of a monopolar resonance that goes beyond the concept of Helmholtz resonators. The balloon-like soft resonator (SR) oscillates omnidirectionally and radiates from all parts of its spherical surface, eliminating the need for a hard wall for the cavity and baffle effects. For airborne sound, such a low-modulus resonator can be made extremely lightweight. Deep subwavelength resonance is achieved when the SR is tuned by adjusting the shell thickness, benefiting from the large density contrast between the shell material and the encapsulated gas. The SR resonates with near-perfect monopole symmetry, as demonstrated by the theoretical and experimental results, which are in excellent agreement. For a lattice of SRs, a band gap occurs and blocks near-total transmission, and the effective bulk modulus exhibits a prominent negative band, while the effective mass density remains unchanged. Our study shows that the SR is suitable for building 3D acoustic metamaterials and provides a basis for constructing left-handed materials as a new means of creating a negative bulk modulus. PMID:26538085

A Combined Molecular Dynamics and Experimental Study of Doped Polypyrrole.

PubMed

Fonner, John M; Schmidt, Christine E; Ren, Pengyu

2010-10-01

Polypyrrole (PPy) is a biocompatible, electrically conductive polymer that has great potential for battery, sensor, and neural implant applications. Its amorphous structure and insolubility, however, limit the experimental techniques available to study its structure and properties at the atomic level. Previous theoretical studies of PPy in bulk are also scarce. Using ab initio calculations, we have constructed a molecular mechanics force field of chloride-doped PPy (PPyCl) and undoped PPy. This model has been designed to integrate into the OPLS force field, and parameters are available for the Gromacs and TINKER software packages. Molecular dynamics (MD) simulations of bulk PPy and PPyCl have been performed using this force field, and the effects of chain packing and electrostatic scaling on the bulk polymer density have been investigated. The density of flotation of PPyCl films has been measured experimentally. Amorphous X-ray diffraction of PPyCl was obtained and correlated with atomic structures sampled from MD simulations. The force field reported here is foundational for bridging the gap between experimental measurements and theoretical calculations for PPy based materials.

A correlation between secondary structure and rheological properties of low-density lipoproteins at air/water interfaces.

PubMed

Khattari, Ziad

2017-09-01

The secondary structure of apolipoprotein B-100 is studied within the bulk phase and at the air/water interface. In these "in viro" experiments, infrared reflection absorption spectroscopy (IRRAS) study was performed at the air/water interface while circular dichroism (CD) was conducted in the bulk phase. In the bulk phase, the conformational structure containing a significant amount of β-structure, whereas varying amount of α-helix, unordered structures, and β-sheet were observed at the air/water interface depending on the low-density lipoprotein (LDL) film interfacial pressure. The present IRRAS results demonstrate the importance of interfacial pressure-induced structural conformations on the apoB-100. A correlation between the secondary structure of the apoB-100 protein and the monomolecular film elasticity at the air/water interface was also established. The orientation of apoB-100 with respect to the LDL film-normal was found to depend on the interfacial pressure exhibited by the monomolecular film. These results may shed light on LDL's pivotal role in the progression of atherosclerotic coronary artery disease as demonstrated previously by clinical trials.

Theory of electron g-tensor in bulk and quantum-well semiconductors

NASA Astrophysics Data System (ADS)

Lau, Wayne H.; Flatte', Michael E.

2004-03-01

We present quantitative calculations for the electron g-tensors in bulk and quantum-well semiconductors based on a generalized P.p envelope function theory solved in a fourteen-band restricted basis set. The dependences of g-tensor on structure, magnetic field, carrier density, temperature, and spin polarization have been explored and will be described. It is found that at temperatures of a few Kelvin and fields of a few Tesla, the g-tensors for bulk semiconductors develop quasi-steplike dependences on carrier density or magnetic field due to magnetic quantization, and this effect is even more pronounced in quantum-well semiconductors due to the additional electric quantization along the growth direction. The influence of quantum confinement on the electron g-tensors in QWs is studied by examining the dependence of electron g-tensors on well width. Excellent agreement between these calculated electron g-tensors and measurements [1-2] is found for GaAs/AlGaAs QWs. This work was supported by DARPA/ARO. [1] A. Malinowski and R. T. Harley, Phys. Rev. B 62, 2051 (2000);[2] Le Jeune et al., Semicond. Sci. Technol. 12, 380 (1997).

Relationships between self-diffusivity, packing fraction, and excess entropy in simple bulk and confined fluids.

PubMed

Mittal, Jeetain; Errington, Jeffrey R; Truskett, Thomas M

2007-08-30

Static measures such as density and entropy, which are intimately connected to structure, have featured prominently in modern thinking about the dynamics of the liquid state. Here, we explore the connections between self-diffusivity, density, and excess entropy for two of the most widely used model "simple" liquids, the equilibrium Lennard-Jones and square-well fluids, in both bulk and confined environments. We find that the self-diffusivity data of the Lennard-Jones fluid can be approximately collapsed onto a single curve (i) versus effective packing fraction and (ii) in appropriately reduced form versus excess entropy, as suggested by two well-known scaling laws. Similar data collapse does not occur for the square-well fluid, a fact that can be understood on the basis of the nontrivial effects that temperature has on its static structure. Nonetheless, we show that the implications of confinement for the self-diffusivity of both of these model fluids, over a broad range of equilibrium conditions, can be predicted on the basis of knowledge of the bulk fluid behavior and either the effective packing fraction or the excess entropy of the confined fluid. Excess entropy is perhaps the most preferable route due to its superior predictive ability and because it is a standard, unambiguous thermodynamic quantity that can be readily predicted via classical density functional theories of inhomogeneous fluids.

Performance of exchange-correlation functionals in density functional theory calculations for liquid metal: A benchmark test for sodium.

PubMed

Han, Jeong-Hwan; Oda, Takuji

2018-04-14

The performance of exchange-correlation functionals in density-functional theory (DFT) calculations for liquid metal has not been sufficiently examined. In the present study, benchmark tests of Perdew-Burke-Ernzerhof (PBE), Armiento-Mattsson 2005 (AM05), PBE re-parameterized for solids, and local density approximation (LDA) functionals are conducted for liquid sodium. The pair correlation function, equilibrium atomic volume, bulk modulus, and relative enthalpy are evaluated at 600 K and 1000 K. Compared with the available experimental data, the errors range from -11.2% to 0.0% for the atomic volume, from -5.2% to 22.0% for the bulk modulus, and from -3.5% to 2.5% for the relative enthalpy depending on the DFT functional. The generalized gradient approximation functionals are superior to the LDA functional, and the PBE and AM05 functionals exhibit the best performance. In addition, we assess whether the error tendency in liquid simulations is comparable to that in solid simulations, which would suggest that the atomic volume and relative enthalpy performances are comparable between solid and liquid states but that the bulk modulus performance is not. These benchmark test results indicate that the results of liquid simulations are significantly dependent on the exchange-correlation functional and that the DFT functional performance in solid simulations can be used to roughly estimate the performance in liquid simulations.

Performance of exchange-correlation functionals in density functional theory calculations for liquid metal: A benchmark test for sodium

NASA Astrophysics Data System (ADS)

Han, Jeong-Hwan; Oda, Takuji

2018-04-01

The performance of exchange-correlation functionals in density-functional theory (DFT) calculations for liquid metal has not been sufficiently examined. In the present study, benchmark tests of Perdew-Burke-Ernzerhof (PBE), Armiento-Mattsson 2005 (AM05), PBE re-parameterized for solids, and local density approximation (LDA) functionals are conducted for liquid sodium. The pair correlation function, equilibrium atomic volume, bulk modulus, and relative enthalpy are evaluated at 600 K and 1000 K. Compared with the available experimental data, the errors range from -11.2% to 0.0% for the atomic volume, from -5.2% to 22.0% for the bulk modulus, and from -3.5% to 2.5% for the relative enthalpy depending on the DFT functional. The generalized gradient approximation functionals are superior to the LDA functional, and the PBE and AM05 functionals exhibit the best performance. In addition, we assess whether the error tendency in liquid simulations is comparable to that in solid simulations, which would suggest that the atomic volume and relative enthalpy performances are comparable between solid and liquid states but that the bulk modulus performance is not. These benchmark test results indicate that the results of liquid simulations are significantly dependent on the exchange-correlation functional and that the DFT functional performance in solid simulations can be used to roughly estimate the performance in liquid simulations.

Quality Assessment of Physical and Organoleptic Instant Corn Rice on Scale-Up Process

NASA Astrophysics Data System (ADS)

Kumalasari, R.; Ekafitri, R.; Indrianti, N.

2017-12-01

Development of instant corn rice product has been successfully conducted on a laboratory scale. Corn has high carbohydrate content but low in fiber. The addition of fiber in instant corn rice, intended to improve the functioning of the product, and replace fiber loss during the process. Scale up process of Instant corn rice required to increase the production capacity. Scale up was the process to get identic output on a larger scale based on predetermined production scale. This study aimed to assess the changes and differences in the quality of instant corn rice during scale up. Instant corn rice scale up was done on production capacity 3 kg, 4 kg and 5 kg. Results showed that scale up of instant corn rice producing products with rehydration ratio ranges between 514% - 570%, the absorption rate ranged between 414% - 470%, swelling rate ranging between 119% - 134%, bulk density ranged from 0.3661 to 0.4745 (g/ml) and porosity ranging between 30-37%. The physical quality of instant corn rice on scale up were stable from the ones at laboratory scale on swelling rate, rehydration ratio, and absorption rate but not stable on bulk density and porosity. Organoleptic qualities were stable at increased scale compared on a laboratory scale. Bulk density was higher than those at laboratory scale, and the porosity was lower than those at laboratory scale.

Comparing the contributions of ionospheric outflow and high-altitude production to O+ loss at Mars

NASA Astrophysics Data System (ADS)

Liemohn, Michael; Curry, Shannon; Fang, Xiaohua; Johnson, Blake; Fraenz, Markus; Ma, Yingjuan

2013-04-01

The Mars total O+ escape rate is highly dependent on both the ionospheric and high-altitude source terms. Because of their different source locations, they appear in velocity space distributions as distinct populations. The Mars Test Particle model is used (with background parameters from the BATS-R-US magnetohydrodynamic code) to simulate the transport of ions in the near-Mars space environment. Because it is a collisionless model, the MTP's inner boundary is placed at 300 km altitude for this study. The MHD values at this altitude are used to define an ionospheric outflow source of ions for the MTP. The resulting loss distributions (in both real and velocity space) from this ionospheric source term are compared against those from high-altitude ionization mechanisms, in particular photoionization, charge exchange, and electron impact ionization, each of which have their own (albeit overlapping) source regions. In subsequent simulations, the MHD values defining the ionospheric outflow are systematically varied to parametrically explore possible ionospheric outflow scenarios. For the nominal MHD ionospheric outflow settings, this source contributes only 10% to the total O+ loss rate, nearly all via the central tail region. There is very little dependence of this percentage on the initial temperature, but a change in the initial density or bulk velocity directly alters this loss through the central tail. However, a density or bulk velocity increase of a factor of 10 makes the ionospheric outflow loss comparable in magnitude to the loss from the combined high-altitude sources. The spatial and velocity space distributions of escaping O+ are examined and compared for the various source terms, identifying features specific to each ion source mechanism. These results are applied to a specific Mars Express orbit and used to interpret high-altitude observations from the ion mass analyzer onboard MEX.

Polarization Dependent Bulk-sensitive Valence Band Photoemission Spectroscopy and Density Functional Theory Calculations: Part I. 3d Transition Metals

NASA Astrophysics Data System (ADS)

Ueda, Shigenori; Hamada, Ikutaro

2017-12-01

The X-ray polarization dependent valence band HAXPES spectra of 3d transition metals (TMs) of Ti-Zn were measured to investigate the orbital resolved electronic structures by utilizing that the fact the photoionization cross-section of the atomic orbitals strongly depends on the experimental geometry. We have calculated the HAXPES spectra, which correspond to the cross-section weighted densities of states (CSW-DOSs), where the DOSs were obtained by the density functional theory calculations, and we have determined the relative photoionization cross-sections of the 4s and 4p orbitals to the 3d orbital in the 3d TMs. The experimentally obtained bulk-sensitive 3d and 4s DOSs were good agreement with the calculated DOSs in Ti, V, Cr, and Cu. In contrast, the deviations between the experimental and calculated 3d DOSs for Mn, Fe, Co, Ni were found, suggesting that the electron correlation plays an important role in the electronic structures for these materials.

Heat transfer to and from vegetated surfaces - An analytical method for the bulk exchange coefficients

NASA Technical Reports Server (NTRS)

Massman, William J.

1987-01-01

The semianalytical model outlined in a previous study (Massman, 1987) to describe momentum exchange between the atmosphere and vegetated surfaces is extended to include the exchange of heat. The methods employed are based on one-dimensional turbulent diffusivities, and use analytical solutions to the steady-state diffusion equation. The model is used to assess the influence that the canopy foliage structure and density, the wind profile structure within the canopy, and the shelter factor can have upon the inverse surface Stanton number (kB exp -1), as well as to explore the consequences of introducing a scalar displacement height which can be different from the momentum displacement height. In general, the triangular foliage area density function gives results which agree more closely with observations than that for constant foliage area density. The intended application of this work is for parameterizing the bulk aerodynamic resistances for heat and momentum exchange for use within large-scale models of plant-atmosphere exchanges.

Hybridized Phosphate with Ultrathin Nanoslices and Single Crystal Microplatelets for High Performance Supercapacitors

PubMed Central

Zhao, Yufeng; Chen, Zhaoyang; Xiong, Ding-Bang; Qiao, Yuqing; Tang, Yongfu; Gao, Faming

2016-01-01

A novel hybridized phosphate is developed through a mild hydrothermal method to construct high performance asymmetric supercapacitor. Single layered (Ni,Co)3(PO4)2·8H2O nanoslices (∼1 nm) and single crystal (NH4)(Ni,Co)PO4·0.67H2O microplatelets are obtained through a template sacrificial method and dissolution recrystallization approach respectively in one step. This unique hybridized structure delivers a maximum specific capacitance of 1128 F g−1 at current density of 0.5 A g−1. The asymmetric supercapacitor (ASC) based on the hybrid exhibits a high energy density of 35.3 Wh kg−1 at low power density, and still holds 30.9 Wh kg−1 at 4400 W kg−1. Significantly, the ASC manifests very high cycling stability with 95.6% capacitance retention after 5000 cycles. Such excellent electrochemical performance could be attributed to the synergistic effect of the surface redox reaction from the ultrathin nanoslices and ion intercalation from the single crystal bulk structure. This material represents a novel kind of electrode material for the potential application in supercapacitors. PMID:26833204

Hybridized Phosphate with Ultrathin Nanoslices and Single Crystal Microplatelets for High Performance Supercapacitors

NASA Astrophysics Data System (ADS)

Zhao, Yufeng; Chen, Zhaoyang; Xiong, Ding-Bang; Qiao, Yuqing; Tang, Yongfu; Gao, Faming

2016-02-01

A novel hybridized phosphate is developed through a mild hydrothermal method to construct high performance asymmetric supercapacitor. Single layered (Ni,Co)3(PO4)2·8H2O nanoslices (˜1 nm) and single crystal (NH4)(Ni,Co)PO4·0.67H2O microplatelets are obtained through a template sacrificial method and dissolution recrystallization approach respectively in one step. This unique hybridized structure delivers a maximum specific capacitance of 1128 F g-1 at current density of 0.5 A g-1. The asymmetric supercapacitor (ASC) based on the hybrid exhibits a high energy density of 35.3 Wh kg-1 at low power density, and still holds 30.9 Wh kg-1 at 4400 W kg-1. Significantly, the ASC manifests very high cycling stability with 95.6% capacitance retention after 5000 cycles. Such excellent electrochemical performance could be attributed to the synergistic effect of the surface redox reaction from the ultrathin nanoslices and ion intercalation from the single crystal bulk structure. This material represents a novel kind of electrode material for the potential application in supercapacitors.

Continuous Sound Velocity Measurements along the Shock Hugoniot Curve of Quartz

NASA Astrophysics Data System (ADS)

Li, Mu; Zhang, Shuai; Zhang, Hongping; Zhang, Gongmu; Wang, Feng; Zhao, Jianheng; Sun, Chengwei; Jeanloz, Raymond

2018-05-01

We report continuous measurements of the sound velocity along the principal Hugoniot curve of α quartz between 0.25 and 1.45 TPa, as determined from lateral release waves intersecting the shock front as a function of time in decaying-shock experiments. The measured sound velocities are lower than predicted by prior models, based on the properties of stishovite at densities below ˜7 g /cm3 , but agree with density functional theory molecular dynamics calculations and an empirical wide-regime equation of state presented here. The Grüneisen parameter calculated from the sound velocity decreases from γ ˜1 .3 at 0.25 TPa to 0.66 at 1.45 TPa. In combination with evidence for increased (configurational) specific heat and decreased bulk modulus, the values of γ suggest a high thermal expansion coefficient at ˜0. 25 - 0 .65 TPa , where SiO2 is thought to be a bonded liquid. From our measurements, dissociation of the molecular bonds persists to ˜0. 65 - 1 .0 TPa , consistent with estimates by other methods. At higher densities, the sound velocity is close to predictions from previous models, and the Grüneisen parameter approaches the ideal gas value.

A Langevin approach to multi-scale modeling

DOE PAGES

Hirvijoki, Eero

2018-04-13

In plasmas, distribution functions often demonstrate long anisotropic tails or otherwise significant deviations from local Maxwellians. The tails, especially if they are pulled out from the bulk, pose a serious challenge for numerical simulations as resolving both the bulk and the tail on the same mesh is often challenging. A multi-scale approach, providing evolution equations for the bulk and the tail individually, could offer a resolution in the sense that both populations could be treated on separate meshes or different reduction techniques applied to the bulk and the tail population. In this paper, we propose a multi-scale method which allowsmore » us to split a distribution function into a bulk and a tail so that both populations remain genuine, non-negative distribution functions and may carry density, momentum, and energy. The proposed method is based on the observation that the motion of an individual test particle in a plasma obeys a stochastic differential equation, also referred to as a Langevin equation. Finally, this allows us to define transition probabilities between the bulk and the tail and to provide evolution equations for both populations separately.« less

A Langevin approach to multi-scale modeling

NASA Astrophysics Data System (ADS)

Hirvijoki, Eero

2018-04-01

In plasmas, distribution functions often demonstrate long anisotropic tails or otherwise significant deviations from local Maxwellians. The tails, especially if they are pulled out from the bulk, pose a serious challenge for numerical simulations as resolving both the bulk and the tail on the same mesh is often challenging. A multi-scale approach, providing evolution equations for the bulk and the tail individually, could offer a resolution in the sense that both populations could be treated on separate meshes or different reduction techniques applied to the bulk and the tail population. In this letter, we propose a multi-scale method which allows us to split a distribution function into a bulk and a tail so that both populations remain genuine, non-negative distribution functions and may carry density, momentum, and energy. The proposed method is based on the observation that the motion of an individual test particle in a plasma obeys a stochastic differential equation, also referred to as a Langevin equation. This allows us to define transition probabilities between the bulk and the tail and to provide evolution equations for both populations separately.

A Langevin approach to multi-scale modeling

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

Hirvijoki, Eero

In plasmas, distribution functions often demonstrate long anisotropic tails or otherwise significant deviations from local Maxwellians. The tails, especially if they are pulled out from the bulk, pose a serious challenge for numerical simulations as resolving both the bulk and the tail on the same mesh is often challenging. A multi-scale approach, providing evolution equations for the bulk and the tail individually, could offer a resolution in the sense that both populations could be treated on separate meshes or different reduction techniques applied to the bulk and the tail population. In this paper, we propose a multi-scale method which allowsmore » us to split a distribution function into a bulk and a tail so that both populations remain genuine, non-negative distribution functions and may carry density, momentum, and energy. The proposed method is based on the observation that the motion of an individual test particle in a plasma obeys a stochastic differential equation, also referred to as a Langevin equation. Finally, this allows us to define transition probabilities between the bulk and the tail and to provide evolution equations for both populations separately.« less

Bulk and surface states carried supercurrent in ballistic Nb-Dirac semimetal Cd3As2 nanowire-Nb junctions

NASA Astrophysics Data System (ADS)

Li, Cai-Zhen; Li, Chuan; Wang, Li-Xian; Wang, Shuo; Liao, Zhi-Min; Brinkman, Alexander; Yu, Da-Peng

2018-03-01

A three-dimensional Dirac semimetal has bulk Dirac cones in all three momentum directions and Fermi arc like surface states, and can be converted into a Weyl semimetal by breaking time-reversal symmetry. However, the highly conductive bulk state usually hides the electronic transport from the surface state in Dirac semimetal. Here, we demonstrate the supercurrent carried by bulk and surface states in Nb -Cd3As2 nanowire-Nb short and long junctions, respectively. For the ˜1 -μ m -long junction, the Fabry-Pérot interferences-induced oscillations of the critical supercurrent are observed, suggesting the ballistic transport of the surface states carried supercurrent, where the bulk states are decoherent and the topologically protected surface states still stay coherent. Moreover, a superconducting dome is observed in the long junction, which is attributed to the enhanced dephasing from the interaction between surface and bulk states as tuning gate voltage to increase the carrier density. The superconductivity of topological semimetal nanowire is promising for braiding of Majorana fermions toward topological quantum computing.

Longitudinal and bulk viscosities of Lennard-Jones fluids

NASA Astrophysics Data System (ADS)

Tankeshwar, K.; Pathak, K. N.; Ranganathan, S.

1996-12-01

Expressions for the longitudinal and bulk viscosities have been derived using Green Kubo formulae involving the time integral of the longitudinal and bulk stress autocorrelation functions. The time evolution of stress autocorrelation functions are determined using the Mori formalism and a memory function which is obtained from the Mori equation of motion. The memory function is of hyperbolic secant form and involves two parameters which are related to the microscopic sum rules of the respective autocorrelation function. We have derived expressions for the zeroth-, second-and fourth- order sum rules of the longitudinal and bulk stress autocorrelation functions. These involve static correlation functions up to four particles. The final expressions for these have been put in a form suitable for numerical calculations using low- order decoupling approximations. The numerical results have been obtained for the sum rules of longitudinal and bulk stress autocorrelation functions. These have been used to calculate the longitudinal and bulk viscosities and time evolution of the longitudinal stress autocorrelation function of the Lennard-Jones fluids over wide ranges of densities and temperatures. We have compared our results with the available computer simulation data and found reasonable agreement.

Large-scale HTS bulks for magnetic application

NASA Astrophysics Data System (ADS)

Werfel, Frank N.; Floegel-Delor, Uta; Riedel, Thomas; Goebel, Bernd; Rothfeld, Rolf; Schirrmeister, Peter; Wippich, Dieter

2013-01-01

ATZ Company has constructed about 130 HTS magnet systems using high-Tc bulk magnets. A key feature in scaling-up is the fabrication of YBCO melts textured multi-seeded large bulks with three to eight seeds. Except of levitation, magnetization, trapped field and hysteresis, we review system engineering parameters of HTS magnetic linear and rotational bearings like compactness, cryogenics, power density, efficiency and robust construction. We examine mobile compact YBCO bulk magnet platforms cooled with LN2 and Stirling cryo-cooler for demonstrator use. Compact cryostats for Maglev train operation contain 24 pieces of 3-seed bulks and can levitate 2500-3000 N at 10 mm above a permanent magnet (PM) track. The effective magnetic distance of the thermally insulated bulks is 2 mm only; the stored 2.5 l LN2 allows more than 24 h operation without refilling. 34 HTS Maglev vacuum cryostats are manufactured tested and operate in Germany, China and Brazil. The magnetic levitation load to weight ratio is more than 15, and by group assembling the HTS cryostats under vehicles up to 5 t total loads levitated above a magnetic track is achieved.

Dynamics of soil organic carbon in density fractions during post-agricultural succession over two lithology types, southwest China.

PubMed

Wen, Li; Li, Dejun; Chen, Hao; Wang, Kelin

2017-10-01

Agricultural abandonment has been proposed as an effective way to enhance soil organic carbon (SOC) sequestration. Nevertheless, SOC sequestration in the long term is largely determined by whether the stable SOC fractions will increase. Here the dynamics of SOC fractions during post-agricultural succession were investigated in a karst region, southwest China using a space-for-time substitution approach. Cropland, grassland, shrubland and secondary forest were selected from areas underlain by dolomite and limestone, respectively. Density fractionation was used to separate bulk SOC into free light fraction (FLFC) and heavy fraction (HFC). FLFC contents were similar over dolomite and limestone, but bulk SOC and HFC contents were greater over limestone than over dolomite. FLFC content in the forest was greater than in the other vegetation types, but bulk SOC and HFC contents increased from the cropland through to the forest for areas underlain by dolomite. The contents of bulk SOC and its fractions were similar among the four vegetation types over limestone. The proportion of FLFC in bulk SOC was higher over dolomite than over limestone, but the case was inverse for the proportion of HFC, indicating SOC over limestone was more stable. However, the proportions of both FLFC and HFC were similar among the four vegetation types, implying that SOC stability was not changed by cropland conversion. Exchangeable calcium explained most of the variance of HFC content. Our study suggests that lithology not only affects SOC content and its stability, but modulates the dynamics of SOC fractions during post-agricultural succession. Copyright © 2017 Elsevier Ltd. All rights reserved.

A Theoretical Study of Bulk and Surface Diffusion Processes for Semiconductor Materials Using First Principles Calculations

NASA Astrophysics Data System (ADS)

Roehl, Jason L.

Diffusion of point defects on crystalline surfaces and in their bulk is an important and ubiquitous phenomenon affecting film quality, electronic properties and device functionality. A complete understanding of these diffusion processes enables one to predict and then control those processes. Such understanding includes knowledge of the structural, energetic and electronic properties of these native and non-native point defect diffusion processes. Direct experimental observation of the phenomenon is difficult and microscopic theories of diffusion mechanisms and pathways abound. Thus, knowing the nature of diffusion processes, of specific point defects in given materials, has been a challenging task for analytical theory as well as experiment. The recent advances in computing technology have been a catalyst for the rise of a third mode of investigation. The advent of tremendous computing power, breakthroughs in algorithmic development in computational applications of electronic density functional theory now enables direct computation of the diffusion process. This thesis demonstrates such a method applied to several different examples of point defect diffusion on the (001) surface of gallium arsenide (GaAs) and the bulk of cadmium telluride (CdTe) and cadmium sulfide (CdS). All results presented in this work are ab initio, total-energy pseudopotential calculations within the local density approximation to density-functional theory. Single particle wavefunctions were expanded in a plane-wave basis and reciprocal space k-point sampling was achieved by Monkhorst-Pack generated k-point grids. Both surface and bulk computations employed a supercell approach using periodic boundary conditions. Ga adatom adsorption and diffusion processes were studied on two reconstructions of the GaAs(001) surface including the c(4x4) and c(4x4)-heterodimer surface reconstructions. On the GaAs(001)- c(4x4) surface reconstruction, two distinct sets of minima and transition sites were discovered for a Ga adatom relaxing from heights of 3 and 0.5 A from the surface. These two sets show significant differences in the interaction of the Ga adatom with surface As dimers and an electronic signature of the differences in this interaction was identified. The energetic barriers to diffusion were computed between various adsorption sites. Diffusion profiles for native Cd and S, adatom and vacancy, and non-native interstitial adatoms of Te, Cu and Cl were investigated in bulk wurtzite CdS. The interstitial diffusion paths considered in this work were chosen parallel to c-axis as it represents the path encountered by defects diffusing from the CdTe layer. Because of the lattice mismatch between zinc-blende CdTe and hexagonal wurtzite CdS, the c-axis in CdS is normal to the CdTe interface. The global minimum and maximum energy positions in the bulk unit cell vary for different diffusing species. This results in a significant variation, in the bonding configurations and associated strain energies of different extrema positions along the diffusion paths for various defects. The diffusion barriers range from a low of 0.42 eV for an S interstitial to a high of 2.18 eV for a S vacancy. The computed 0.66 eV barrier for a Cu interstitial is in good agreement with experimental values in the range of 0.58 - 0.96 eV reported in the literature. There exists an electronic signature in the local density of states for the s- and d-states of the Cu interstitial at the global maximum and global minimum energy position. The work presented in this thesis is an investigation into diffusion processes for semiconductor bulk and surfaces. The work provides information about these processes at a level of control unavailable experimentally giving an elaborate description into physical and electronic properties associated with diffusion at its most basic level. Not only does this work provide information about GaAs, CdTe and CdS, it is intended to contribute to a foundation of knowledge that can be extended to other systems to expand our overall understanding into the diffusion process. (Abstract shortened by UMI.)

Absolute densities in exoplanetary systems. Photodynamical modelling of Kepler-138.

NASA Astrophysics Data System (ADS)

Almenara, J. M.; Díaz, R. F.; Dorn, C.; Bonfils, X.; Udry, S.

2018-04-01

In favourable conditions, the density of transiting planets in multiple systems can be determined from photometry data alone. Dynamical information can be extracted from light curves, providing modelling is done self-consistently, i.e. using a photodynamical model, which simulates the individual photometric observations instead of the more generally used transit times. We apply this methodology to the Kepler-138 planetary system. The derived planetary bulk densities are a factor of two more precise than previous determinations, and we find a discrepancy in the stellar bulk density with respect to a previous study. This leads, in turn, to a discrepancy in the determination of masses and radii of the star and the planets. In particular, we find that interior planet, Kepler-138 b, has a size in between Mars and the Earth. Given our mass and density estimates, we characterize the planetary interiors using a generalized Bayesian inference model. This model allows us to quantify for interior degeneracy and calculate confidence regions of interior parameters such as thicknesses of the core, the mantle, and ocean and gas layers. We find that Kepler-138 b and Kepler-138 d have significantly thick volatile layers, and that the gas layer of Kepler-138 b is likely enriched. On the other hand, Kepler-138 c can be purely rocky.

The phase function and density of the dust observed at comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Fulle, Marco; Bertini, I.; Della Corte, V.; Güttler, C.; Ivanovski, S.; La Forgia, F.; Lasue, J.; Levasseur-Regourd, A. C.; Marzari, F.; Moreno, F.; Mottola, S.; Naletto, G.; Palumbo, P.; Rinaldi, G.; Rotundi, A.; Sierks, H.; Barbieri, C.; Lamy, P. L.; Rodrigo, R.; Koschny, D.; Rickman, H.; Barucci, M. A.; Bertaux, J.-L.; Bodewits, D.; Cremonese, G.; Da Deppo, V.; Davidsson, B.; Debei, S.; De Cecco, M.; Deller, J.; Fornasier, S.; Groussin, O.; Gutiérrez, P. J.; Hviid, H. S.; Ip, W. H.; Jorda, L.; Keller, H. U.; Knollenberg, J.; Kramm, J. R.; Kührt, E.; Küppers, M.; Lara, M. L.; Lazzarin, M.; López-Moreno, J. J.; Shi, X.; Thomas, N.; Tubiana, C.

2018-05-01

The OSIRIS camera onboard Rosetta measured the phase function of both the coma dust and the nucleus. The two functions have a very different slope versus the phase angle. Here, we show that the nucleus phase function should be adopted to convert the brightness to the size of dust particles larger than 2.5 mm only. This makes the dust bursts observed close to Rosetta by OSIRIS, occurring about every hour, consistent with the fragmentation on impact with Rosetta of parent particles, whose flux agrees with the dust flux observed by GIADA. OSIRIS also measured the antisunward acceleration of the fragments, thus providing the first direct measurement of the solar radiation force acting on the dust fragments and thus of their bulk density, excluding any measurable rocket effect by the ice sublimation from the dust. The obtained particle density distribution has a peak matching the bulk density of most COSIMA particles, and represents a subset of the density distribution measured by GIADA. This implies a bias in the elemental abundances measured by COSIMA, which thus are consistent with the 67P dust mass fractions inferred by GIADA, i.e. (38 ± 8) {per cent} of hydrocarbons versus the (62 ± 8) {per cent} of sulphides and silicates.

Absolute densities in exoplanetary systems: photodynamical modelling of Kepler-138

NASA Astrophysics Data System (ADS)

Almenara, J. M.; Díaz, R. F.; Dorn, C.; Bonfils, X.; Udry, S.

2018-07-01

In favourable conditions, the density of transiting planets in multiple systems can be determined from photometry data alone. Dynamical information can be extracted from light curves, providing modelling is done self-consistently, i.e. using a photodynamical model, which simulates the individual photometric observations instead of the more generally used transit times. We apply this methodology to the Kepler-138 planetary system. The derived planetary bulk densities are a factor of 2 more precise than previous determinations, and we find a discrepancy in the stellar bulk density with respect to a previous study. This leads, in turn, to a discrepancy in the determination of masses and radii of the star and the planets. In particular, we find that interior planet, Kepler-138b, has a size in between Mars and the Earth. Given our mass and density estimates, we characterize the planetary interiors using a generalized Bayesian inference model. This model allows us to quantify for interior degeneracy and calculate confidence regions of interior parameters such as thicknesses of the core, the mantle, and ocean and gas layers. We find that Kepler-138b and Kepler-138 d have significantly thick volatile layers and that the gas layer of Kepler-138b is likely enriched. On the other hand, Kepler-138c can be purely rocky.

46 CFR 151.01-15 - Dangerous cargoes not specifically named.

Code of Federal Regulations, 2013 CFR

2013-10-01

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46 CFR 151.01-15 - Dangerous cargoes not specifically named.

Code of Federal Regulations, 2010 CFR

2010-10-01

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46 CFR 151.01-15 - Dangerous cargoes not specifically named.

Code of Federal Regulations, 2011 CFR

2011-10-01

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