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.

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.

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.

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)

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.

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

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.

Radiographic morphometry and densitometry predict strength of cadaveric proximal humeri more reliably than age and DXA scan density.

PubMed

Skedros, John G; Knight, Alex N; Pitts, Todd C; O'Rourke, Peter J; Burkhead, Wayne Z

2016-02-01

Methods are needed for identifying poorer quality cadaver proximal humeri to ensure that they are not disproportionately segregated into experimental groups for fracture studies. We hypothesized that measurements made from radiographs of cadaveric proximal humeri are stronger predictors of fracture strength than chronological age or bone density values derived from dual-energy x-ray absorptiometry (DXA) scans. Thirty-three proximal humeri (range: 39-78 years) were analyzed for: (1) bone mineral density (BMD, g/cm(2)) using DXA, (2) bulk density (g/cm(3)) using DXA and volume displacement, (3) regional bone density in millimeters of aluminum (mmAl) using radiographs, and (4) regional mean (medial+lateral) cortical thickness and cortical index (CI) using radiographs. The bones were then fractured simulating a fall. Strongest correlations with ultimate fracture load (UFL) were: mean cortical thickness at two diaphyseal locations (r = 0.71; p < 0.001), and mean mmAl in the humeral head (r = 0.70; p < 0.001). Weaker correlations were found between UFL and DXA-BMD (r = 0.60), bulk density (r = 0.43), CI (r = 0.61), and age (r = -0.65) (p values <0.01). Analyses between UFL and the product of any two characteristics showed six combinations with r-values >0.80, but none included DXA-derived density, CI, or age. Radiographic morphometric and densitometric measurements from radiographs are therefore stronger predictors of UFL than age, CI, or DXA-derived density measurements. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

Physicochemical Properties of Flaxseed Fortified Extruded Bean Snack.

PubMed

Vadukapuram, Naveen; Hall, Clifford; Tulbek, Mehmet; Niehaus, Mary

2014-01-01

Milled flaxseed was incorporated (0-20%) into a combination of bean-corn flours and extruded in a twin screw extruder using corn curl method. Physicochemical parameters such as water activity, color, expansion ratio, bulk density, lipid content, and peroxide values of extruded snack were analyzed. Scanning electron micrographs were taken. Peroxide values and propanal contents were measured over four months of storage. Rancidity scores of extruded snack were measured using a trained panel. As expected, omega-3 fatty acids and bulk density increased with increasing flaxseed fortification levels. Extrudates with more flaxseed had decreased lightness values and expansion ratios. However, only the 15 and 20% flaxseed containing extrudates had expansion ratios that were significantly (P ≤ 0.05) different from the control. In general, no significant difference (P > 0.05) in water activity values was observed in the flaxseed fortified extrudates, except in the navy-corn based extrudates. Peroxide values increased with increased flaxseed levels and over a storage period. However, propanal values did not change significantly in the 5-10% flaxseed fortified extrudates but increased in extrudates with higher levels of flaxseed. Rancidity scores were correlated with peroxide values and did not increase significantly during storage under nitrogen flushed conditions.

Physicochemical Properties of Flaxseed Fortified Extruded Bean Snack

PubMed Central

Vadukapuram, Naveen; Hall, Clifford

2014-01-01

Milled flaxseed was incorporated (0–20%) into a combination of bean-corn flours and extruded in a twin screw extruder using corn curl method. Physicochemical parameters such as water activity, color, expansion ratio, bulk density, lipid content, and peroxide values of extruded snack were analyzed. Scanning electron micrographs were taken. Peroxide values and propanal contents were measured over four months of storage. Rancidity scores of extruded snack were measured using a trained panel. As expected, omega-3 fatty acids and bulk density increased with increasing flaxseed fortification levels. Extrudates with more flaxseed had decreased lightness values and expansion ratios. However, only the 15 and 20% flaxseed containing extrudates had expansion ratios that were significantly (P ≤ 0.05) different from the control. In general, no significant difference (P > 0.05) in water activity values was observed in the flaxseed fortified extrudates, except in the navy-corn based extrudates. Peroxide values increased with increased flaxseed levels and over a storage period. However, propanal values did not change significantly in the 5–10% flaxseed fortified extrudates but increased in extrudates with higher levels of flaxseed. Rancidity scores were correlated with peroxide values and did not increase significantly during storage under nitrogen flushed conditions. PMID:26904633

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.

Separation of solids by varying the bulk density of a fluid separating medium

DOEpatents

Peterson, Palmer L.; Duffy, James B.; Tokarz, Richard D.

1978-01-01

A method and apparatus for separating objects having a density greater than a selected density value from objects having a density less than said selected density value. The method typically comprises: (a) providing a separation vessel having an upper and lower portion, said vessel containing a liquid having a density exceeding said selected density value; (b) reducing the apparent density of the liquid to said selected density value by introducing solid, bubble-like bodies having a density less than that of the liquid into the lower portion of the vessel and permitting them to rise therethrough; (c) introducing the objects to be separated into the separation vessel and permitting the objects having a density greater than the apparent density of the liquid to sink to the lower portion of the vessel, while the objects having a density less than said selected density value float in the upper portion of the vessel; and (d) separately removing the higher density objects in the lower portion and the lower density objects in the upper portion from the separation vessel. The apparatus typically comprises: (a) a vessel containing a liquid having a density such that at least part of said objects having a density exceeding said selected density value will float therein; (b) means to place said objects into said vessel; (c) means to reduce the effective density of at least a portion of said liquid to said selected density value, whereby said objects having a density exceeding said selected density value sink into said liquid and said objects having a density less than said selected density value remain afloat, said means to adjust the effective density comprising solid, bubble-like bodies having a density less than said selected density value and means for introducing said bodies into said liquid; and (d) means for separately removing said objects having a density exceeding said selected density value and said objects having a density less than said selected density value from said vessel.

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.

[Fractal features of soil particle size in the process of desertification in desert grassland of Ningxia, China].

PubMed

Yan, Xin; An, Hui

2017-10-01

The variation of soil properties, the fractal dimension of soil particle size, and the relationships between fractal dimension of soil particle size and soil properties in the process of desertification in desert grassland of Ningxia were discussed. The results showed that the fractal dimension (D) at different desertification stages in desert grassland varied greatly, the value of D was between 1.69 and 2.62. Except for the 10-20 cm soil layer, the value of D gradually declined with increa sing desertification of desert grassland at 0-30 cm soil layer. In the process of desertification in de-sert grassland, the grassland had the highest values of D , the volume percentage of clay and silt, and the lowest values of the volume percentage of very fine sand and fine sand. However, the mobile dunes had the lowest value of D , the volume percentage of clay and silt, and the highest value of the volume percentage of very fine sand and fine sand. There was a significant positive correlation between the soil fractal dimension value and the volume percentage of soil particles <50 μm, and a significant negative correlation between the soil fractal dimension value and the volume percentage of soil particles >50 μm. The grain size of 50 μm was the critical value for deciding the relationship between the soil particle fractal dimension and the volume percentage. Soil organic matter (SOM) and total nitrogen (TN) decreased gradually with increasing desertification of desert grassland, but soil bulk density increased gradually. Qualitative change from fixed dunes to semi fixed dunes with the rapid decrease of the volume percentage of clay and silt, SOM, TN and the rapid increase of volume percentage of very fine sand and fine sand, soil bulk density. Fractal dimension was significantly correlated to SOM, TN and soil bulk density. Fractal dimension 2.58 was a critical value of fixed dunes and semi fixed dunes. So, the fractal dimension of 2.58 could be taken as the desertification indicator of desert grassland.

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

Species composition, diversity and structure of novel forests of Castilla elastica in Puerto Rico

Treesearch

J. Fonseca da Silva; NO-VALUE

2014-01-01

Attributes of novel forests (secondary forests containing introduced species) were compared with those of native secondary forests of similar age. The study area was the biological reserve called El Tallonal, in Puerto Rico. Species composition, tree density, basal area and soil bulk density were characterized; Importance value index (IVI), Shannon’s diversity index (H...

Effects of thermal treatment on energy density and hardness of torrefied wood pellets

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

Peng, Jianghong; Wang, Jingsong; Bi, Xiaotao T.

Here, three types of wood pellets samples, including two types of commercial pellets and one type of lab-made control pellets were torrefied in a fixed bed unit to study the effect of thermal pretreatment on the quality of wood pellets. The quality of wood pellets was mainly characterized by the pellet density, bulk density, higher heating value, Meyer hardness, saturated moisture uptake, volumetric energy density, and energy yield. Results showed that torrefaction significantly decreased the pellet density, hardness, volumetric energy density, and energy yield. The higher heating value increased and the saturated moisture content decreased after torrefaction. In view ofmore » the lower density, lower hardness, lower volumetric energy density, and energy yield of torrefied pellets, it is recommended that biomass should be torrefied and then compressed to make strong pellets of high hydrophobicity and volumetric energy density.« less

Effects of thermal treatment on energy density and hardness of torrefied wood pellets

DOE PAGES

Peng, Jianghong; Wang, Jingsong; Bi, Xiaotao T.; ...

2014-09-27

Here, three types of wood pellets samples, including two types of commercial pellets and one type of lab-made control pellets were torrefied in a fixed bed unit to study the effect of thermal pretreatment on the quality of wood pellets. The quality of wood pellets was mainly characterized by the pellet density, bulk density, higher heating value, Meyer hardness, saturated moisture uptake, volumetric energy density, and energy yield. Results showed that torrefaction significantly decreased the pellet density, hardness, volumetric energy density, and energy yield. The higher heating value increased and the saturated moisture content decreased after torrefaction. In view ofmore » the lower density, lower hardness, lower volumetric energy density, and energy yield of torrefied pellets, it is recommended that biomass should be torrefied and then compressed to make strong pellets of high hydrophobicity and volumetric energy density.« less

Site preparation effects on soil bulk density and pine seedling growth

Treesearch

John J. Stransky

1981-01-01

Soil bulk density was sampled the first and third growing seasons after site preparation and pine planting on three clearcut pine-hardwood forest sites in eastern Texas. Bulk density was measured 10 cm below the surface of mineral soil using a surface moisture-density probe. Plots that had been KG-bladed and chopped had significanlty higher bulk density than those that...

History of the "Detector Materials Engineering" Crystal Growth Process for Bulk Hg1- x Cd x Te

NASA Astrophysics Data System (ADS)

Higgins, W. M.; Nelson, D. A.; Roy, R. G.; Murosako, R. P.; Lancaster, R. A.; Tower, J.; Norton, P.

2013-11-01

This paper reviews the history and technology of a bulk Hg1- x Cd x Te crystal growth process that was developed in the early 1980s at Honeywell Electro-Optics Division (presently BAE Systems, Electronic Solutions). The crystal growth process name, DME, was an acronym for the department name: Detector Materials Engineering. This was an accelerated crucible rotation technique (ACRT) vertical traveling heater method growth process. Crystal growth occurred in the pseudobinary Hg1- x Cd x Te system. ACRT mixing allowed the lower-density, higher- x-value Hg1- x Cd x Te growth nutrient in the upper region of the ampoule to replenish the depleted melt and allowed the growth of constant- x-value, higher-density Hg1- x Cd x Te. The material grown by this research and production growth process yielded single crystals that had improved purity, compositional uniformity, precipitate density, and reproducibility in comparison with solid-state recrystallization and other bulk Hg1- x Cd x Te growth techniques. Radial and longitudinal nonuniformities in x-value for Hg1- x Cd x Te were reduced to <0.0008/cm. The net electrically active background impurities did not exceed 1 × 1014 cm-3. Electron mobilities in excess of 1.5 × 106 cm2/V-s were observed at 77 K. Structural defects of less than 104 cm-2 were measured. Te precipitates were not observed. As a result of these material improvements, long-wavelength infrared (LWIR) photoconductive devices fabricated from DME material had highly desired performance characteristics.

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

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.

Important properties of bamboo pellets to be used as commercial solid fuel in China

Treesearch

Zhijia Liu; Benhua Fei; Zehui Jiang; Zhiyong Cai; Xing' e Liu

2014-01-01

Bamboo is a type of biomass material and has great potential as a bioenergy resource of the future in China. Some properties of bamboo pellets, length, diameter, moisture content (MC), particle density, bulk density, durability, fine content, ash, gross calorific value, combustion rate and heat release rate, were determined and the effects of MC and particle size (PS)...

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.

Soil bulk density changes caused by mechanized harvesting: A case study in central Appalachia

Treesearch

Jingxin Wang; Chris B. LeDoux; Pam Edwards; Mark Jones; Mark Jones

2005-01-01

A mechanized harvesting system consisting of a feller-buncher and a grapple skidder was examined to quantify soil bulk density changes in a central Appalachian hardwood forest site. Soil bulk density was measured using a nuclear gauge pre-harvest and post-harvest systematically across the harvest unit and on transects across skid trails. Bulk density also was measured...

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.

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.

Using the Opposition Effect in Remotely Sensed Data to Assist in the Retrieval of Bulk Density

NASA Astrophysics Data System (ADS)

Ambeau, Brittany L.

Bulk density is an important geophysical property that impacts the mobility of military vehicles and personnel. Accurate retrieval of bulk density from remotely sensed data is, therefore, needed to estimate the mobility on "off-road" terrain. For a particulate surface, the functional form of the opposition effect can provide valuable information about composition and structure. In this research, we examine the relationship between bulk density and angular width of the opposition effect for a controlled set of laboratory experiments. Given a sample with a known bulk density, we collect reflectance measurements on a spherical grid for various illumination and view geometries -- increasing the amount of reflectance measurements collected at small phase angles near the opposition direction. Bulk densities are varied using a custom-made pluviation device, samples are measured using the Goniometer of the Rochester Institute of Technology-Two (GRIT-T), and observations are fit to the Hapke model using a grid-search method. The method that is selected allows for the direct estimation of five parameters: the single-scattering albedo, the amplitude of the opposition effect, the angular width of the opposition effect, and the two parameters that describe the single-particle phase function. As a test of the Hapke model, the retrieved bulk densities are compared to the known bulk densities. Results show that with an increase in the availability of multi-angular reflectance measurements, the prospects for retrieving the spatial distribution of bulk density from satellite and airborne sensors are imminent.

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

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

Physicochemical properties of extrudates from white yam and bambara nut blends

NASA Astrophysics Data System (ADS)

Oluwole, O. B.; Olapade, A. A.; Awonorin, S. O.; Henshaw, F. O.

2013-01-01

This study was conducted to investigate effects of extrusion conditions on physicochemical properties of blend of yam and bambara nut flours. A blend of white yam grit (750 μm) and Bambara nut flour (500 μm) in a ratio of 4:1, respectively was extrusion cooked at varying screw speeds 50-70 r.p.m., feed moisture 12.5-17.5% (dry basis) and barrel temperatures 130-150°C. The extrusion variables employed included barrel temperature, screw speed, and feed moisture content, while the physicochemical properties of the extrudates investigated were the expansion ratio, bulk density, and trypsin inhibition activity. The results revealed that all the extrusion variables had significant effects (p<0.05) on the product properties considered in this study. The expansion ratio values ranged 1.55-2.06, bulk density values ranged 0.76-0.94 g cm-3, while trypsin inhibition activities were 1.01-8.08 mg 100 g-1 sample.

Predicting the pKa and stability of organic acids and bases at an oil-water interface.

PubMed

Andersson, M P; Olsson, M H M; Stipp, S L S

2014-06-10

We have used density functional theory and the implicit solvent model, COSMO-RS, to investigate how the acidity constant, pKa, of organic acids and bases adsorbed at the organic compound-aqueous solution interface changes, compared to its value in the aqueous phase. The pKa determine the surface charge density of the molecules that accumulate at the fluid-fluid interface. We have estimated the pKa by comparing the stability of the protonated and unprotonated forms of a series of molecules in the bulk aqueous solution and at an interface where parts of each molecule reside in the hydrophobic phase and the rest remains in the hydrophilic phase. We found that the pKa for acids is shifted by ∼1 pH unit to higher values compared to the bulk water pKa, whereas they are shifted to lower values by a similar amount for bases. Because this pKa shift is similar in magnitude for each of the molecules studied, we propose that the pKa for molecules at a water-organic compound interface can easily be predicted by adding a small shift to the aqueous pKa. This shift is general and correlates with the functional group. We also found that the relative composition of molecules at the fluid-fluid interface is not the same as in the bulk. For example, species such as carboxylic acids are enriched at the interface, where they can dominate surface properties, even when they are a modest component in the bulk fluid. For high surface concentrations of carboxylic acid groups at an interface, such as a self-assembled monolayer, we have demonstrated that the pKa depends on the degree of deprotonation through direct hydrogen bonding between protonated and deprotonated acidic headgroups.

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.

A nonadditive methanol force field: Bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model

NASA Astrophysics Data System (ADS)

Patel, Sandeep; Brooks, Charles L.

2005-01-01

We study the bulk and interfacial properties of methanol via molecular dynamics simulations using a CHARMM (Chemistry at HARvard Molecular Mechanics) fluctuating charge force field. We discuss the parametrization of the electrostatic model as part of the ongoing CHARMM development for polarizable protein force fields. The bulk liquid properties are in agreement with available experimental data and competitive with existing fixed-charge and polarizable force fields. The liquid density and vaporization enthalpy are determined to be 0.809 g/cm3 and 8.9 kcal/mol compared to the experimental values of 0.787 g/cm3 and 8.94 kcal/mol, respectively. The liquid structure as indicated by radial distribution functions is in keeping with the most recent neutron diffraction results; the force field shows a slightly more ordered liquid, necessarily arising from the enhanced condensed phase electrostatics (as evidenced by an induced liquid phase dipole moment of 0.7 D), although the average coordination with two neighboring molecules is consistent with the experimental diffraction study as well as with recent density functional molecular dynamics calculations. The predicted surface tension of 19.66±1.03 dyn/cm is slightly lower than the experimental value of 22.6 dyn/cm, but still competitive with classical force fields. The interface demonstrates the preferential molecular orientation of molecules as observed via nonlinear optical spectroscopic methods. Finally, via canonical molecular dynamics simulations, we assess the model's ability to reproduce the vapor-liquid equilibrium from 298 to 423 K, the simulation data then used to obtain estimates of the model's critical temperature and density. The model predicts a critical temperature of 470.1 K and critical density of 0.312 g/cm3 compared to the experimental values of 512.65 K and 0.279 g/cm3, respectively. The model underestimates the critical temperature by 8% and overestimates the critical density by 10%, and in this sense is roughly equivalent to the underlying fixed-charge CHARMM22 force field.

The surface stability of Cr 2O 3 (0 0 0 1)

DOE PAGES

Cao, Shi; Wu, Ning; Echtenkamp, William; ...

2015-05-28

The surface of chromia (Cr 2O 3) has a surface electronic structure distinct from the bulk and a packing density distinct from the bulk. More than a demarcation between the solid and the vacuum, the surface differs from the bulk of chromia, not just because of a partial occupancy of chromium sites, but also because of an increased number of unoccupied surface oxygen sites (vacancy sites), evident in angle-resolved core level photoemission. In spite of the structural differences that exist at the surface, there is, as yet, no evidence that these complications affect the surface Debye temperature beyond the mostmore » simple of assumptions regarding the lower coordination of the surface. Using low-energy electron diffraction (LEED), the effective surface Debye temperature (similar to 490 K) is found to be lower than the bulk (similar to 645 K) Debye temperature of Cr 2O 3(0 0 0 1). This surface effective Debye temperature, indicative of vibrations along the surface normal, uncorrected for anharmonic effects, has a value reduced from the effective bulk Debye temperature yet close to the value root 2 expected from a simple mean field argument.« less

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.

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.

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.

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.

Simple theoretical determination of the thickness of an alkali monolayer adsorbed on a jellium surface

NASA Astrophysics Data System (ADS)

Wojciechowski, K. F.; Rogowska, J. M.; Bogdanów, H.

1991-05-01

The thickness of a jellium slab representing an alkali monolayer on a jellium surface has been calculated, using parametrized trial functions for the electron density profile at the surface fulfilling the Budd-Vannimenus theorem and the charge neutrality condition. Reasonable values of the thicknesses of potassium, sodium, rubidium and caesium monolayers are obtained, which, contrary to earlier assumptions, depend on the bulk electron density of the substrate.

Mechanochemical synthesis of high thermoelectric performance bulk Cu 2X (X = S, Se) materials

DOE PAGES

Yang, Dongwang; Su, Xianli; Yan, Yonggao; ...

2016-11-01

We devised a single-step mechanochemical synthesis/densification procedure for Cu 2X (X = S, Se) thermoelectric materials via applying a pressure of 3 GPa to a stoichiometric admixture of elemental Cu and X for 3 min at room temperature. The obtained bulk materials were single-phase, nearly stoichiometric structures with a relative packing density of 97% or higher. The structures contained high concentration of atomic scale defects and pores of 20-200 nm diameter. The above attributes gave rise to a high thermoelectric performance: at 873 K, the ZT value of Cu2S reached 1.07, about 2.1 times the value typical of samples grownmore » from the melt. The ZT value of Cu 2Se samples reached in excess of 1.2, close to the state-of-the-art value.« less

Lunar Surface Material - Spacecraft Measurements of Density and Strength

NASA Technical Reports Server (NTRS)

Jaffe, L. D.

1969-01-01

The relation of the density of the lunar surface layer to depth is probably best determined from spacecraft measurements of the bearing capacity as a function of depth. A comparison of these values with laboratory measurements of the bearing capacity of low-cohesion particulate materials as a function of the percentage of solid indicates that the bulk density at the lunar surface is about 1.1 grams per cubic centimeter and that it increases nearly linearly to about 1.6 grams per cubic centimeter at a depth of 5 centimeters.

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.

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).

Soil Bulk Density by Soil Type, Land Use and Data Source: Putting the Error in SOC Estimates

NASA Astrophysics Data System (ADS)

Wills, S. A.; Rossi, A.; Loecke, T.; Ramcharan, A. M.; Roecker, S.; Mishra, U.; Waltman, S.; Nave, L. E.; Williams, C. O.; Beaudette, D.; Libohova, Z.; Vasilas, L.

2017-12-01

An important part of SOC stock and pool assessment is the assessment, estimation, and application of bulk density estimates. The concept of bulk density is relatively simple (the mass of soil in a given volume), the specifics Bulk density can be difficult to measure in soils due to logistical and methodological constraints. While many estimates of SOC pools use legacy data in their estimates, few concerted efforts have been made to assess the process used to convert laboratory carbon concentration measurements and bulk density collection into volumetrically based SOC estimates. The methodologies used are particularly sensitive in wetlands and organic soils with high amounts of carbon and very low bulk densities. We will present an analysis across four database measurements: NCSS - the National Cooperative Soil Survey Characterization dataset, RaCA - the Rapid Carbon Assessment sample dataset, NWCA - the National Wetland Condition Assessment, and ISCN - the International soil Carbon Network. The relationship between bulk density and soil organic carbon will be evaluated by dataset and land use/land cover information. Prediction methods (both regression and machine learning) will be compared and contrasted across datasets and available input information. The assessment and application of bulk density, including modeling, aggregation and error propagation will be evaluated. Finally, recommendations will be made about both the use of new data in soil survey products (such as SSURGO) and the use of that information as legacy data in SOC pool estimates.

Plasmaspheric H+, He+, O+, He++, and O++ Densities and Temperatures

NASA Technical Reports Server (NTRS)

Gallagher, D. L.; Craven, P. D.; Comfort H.

2013-01-01

Thermal plasmaspheric densities and temperatures for five ion species have recently become available, even though these quantities were derived some time ago from the Retarding Ion Mass Spectrometer onboard the Dynamics Explorer 1 satellite over the years 1981-1984. The quantitative properties will be presented. Densities are found to have one behavior with lessor statistical variation below about L=2 and another with much greater variability above that Lshell. Temperatures also have a behavior difference between low and higher L-values. The density ratio He++/H+ is the best behaved with values of about 0.2% that slightly increase with increasing L. Unlike the He+/H+ density ratio that on average decreases with increasing Lvalue, the O+/H+ and O++/H+ density ratios have decreasing values below about L=2 and increasing average ratios at higher L-values. Hydrogen ion temperatures range from about 0.2 eV to several 10s of eV for a few measurements, although the bulk of the observations are of temperatures below 3 eV, again increasing with L-value. The temperature ratios of He+/H+ are tightly ordered around 1.0 except for the middle plasmasphere between L=3.5 and 4.5 where He+ temperatures can be significantly higher. The temperatures of He++, O+, and O++ are consistently higher than H+.

Plasmaspheric H+, He+, He++, O+, and O++ Densities and Temperatures

NASA Technical Reports Server (NTRS)

Gallagher, G. L.; Craven, P. D.; Comfort, R. H.

2013-01-01

Thermal plasmaspheric densities and temperatures for five ion species have recently become available, even though these quantities were derived some time ago from the Retarding Ion Mass Spectrometer onboard the Dynamics Explorer 1 satellite over the years 1981-1984. The quantitative properties will be presented. Densities are found to have one behavior with lessor statistical variation below about L=2 and another with much greater variability above that Lshell. Temperatures also have a behavior difference between low and higher L-values. The density ratio He++/H+ is the best behaved with values of about 0.2% that slightly increase with increasing L. Unlike the He+/H+ density ratio that on average decreases with increasing Lvalue, the O+/H+ and O++/H+ density ratios have decreasing values below about L=2 and increasing average ratios at higher L-values. Hydrogen ion temperatures range from about 0.2 eV to several 10s of eV for a few measurements, although the bulk of the observations are of temperatures below 3 eV, again increasing with L-value. The temperature ratios of He+/H+ are tightly ordered around 1.0 except for the middle plasmasphere between L=3.5 and 4.5 where He+ temperatures can be significantly higher. The temperatures of He++, O+, and O++ are consistently higher than H+.

Structure Evolution and Distributions of Grain-Boundary Misorientainons in Submicrocrystalline Molybdenum Irradiated with a Pulsed Electron Beam

NASA Astrophysics Data System (ADS)

Stepanova, E. N.; Grabovetskaya, G. P.; Teresov, A. D.; Mishin, I. P.

2018-05-01

Using the methods of electron backscatter diffraction, electron microscopy and X-ray diffraction analysis, it is demonstrated that irradiation of the surface of a submicrocrystalline molybdenum specimen with a pulsed electron beam in a non-melt regime results in the formation of a gradient structure in its bulk. The irradiation temperature is shown to affect the density of defects, the value of stress, and the distributions of grain-boundary misorientations in the surface and bulk of the submicrocrystalline molybdenum specimens.

Results of Physical Property Measurements Obtained during the CHIKYU Cruise CK16-01 to Hydrothermal Fields of the Middle Okinawa Trough

NASA Astrophysics Data System (ADS)

Tanikawa, W.; Masaki, Y.; Komori, S.; Torimoto, J.; Makio, M.; Ohta, Y.; Nozaki, T.; Ishibashi, J. I.; Kumagai, H.; Maeda, L.; Hamada, Y.

2016-12-01

The middle Okinawa trough, along the Ryukyu-arc on the margin of the western Pacific, fosters several hydrothermal fields. The cruise CK16-01 of D/V CHIKYU targeted the Iheya-North Field and Noho hydrothermal site. More than ten-days extensive coring was carried out with Logging While Drilling (LWD) and deployment of Kuroko cultivation apparatus between February 29th to March 17th2016. Here we present the results of the physical property measurements obtained using Chikyu's on-board laboratory. Cores were sampled among three sites where the seafloor environments were quite different: the Noho site (C9017), a site between the Natsu and Aki sites of the Iheya-North field (C9021), and the Iheya-North Aki site (C9023). Site C9017 was near the center of the hydrothermal activity, and the obtained core was limited 36 m in length and 30 % in the recovery rate. At 70 mbsf (meters below seafloor), the grain density and bulk density of the sediment reached their maxim (3.7 g/m3 and 2.7 g/cm3, respectively), while thermal conductivity reached its lowest value (0.6 W/m·K). Site C9021 yielded a 54 m core, with a core recovery rate of 50 %. Coarse pumiceous layers were found at 68 mbsf, with a hydrothermally altered layer appearing below 68 mbsf. The mean grain density value was 2.4 g/cm3 and was uniform throughout the core. The mean bulk density value of the pumiceous layers was 1.3 g/cm3, and of the hydrothermally altered layer was 2.1 g/cm3. Site C9023 was close to the active hydrothermal chimneys of the Iheya-North Aki site, and yielded 33 m of core with a core recovery rate of 16 %. Massive sulfide layers were found below 48 mbsf with grain density and bulk density values varying between 2.8-4.7 g/cm3 and 1.5-3.9 g/cm3, respectively. Magnetic susceptibility exhibited a high anomaly in a sedimented anhydrite layer found between 95 and 135 mbsf, and a high porosity and low resistivity zone was found below 150 mbsf. Together, these data from drilling cores and onboard analysis provide the first insights into the physical properties of hydrothermal fields in the Okinawa trough. This work was supported by the Council for Science, Technology and Innovation (CSTI) Cross-ministerial Strategic Innovation Promotion Program (SIP), "Next-generation technology for ocean resources exploration" (Lead agency: JAMSTEC)

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

A possible YORP effect on C and S Main Belt Asteroids

NASA Astrophysics Data System (ADS)

Carbognani, A.

2011-01-01

A rotating frequency analysis in a previous paper, showed that two samples of C and S-type asteroids belonging to the Main Belt, but not to any families, present two different values for the transition diameter to a Maxwellian distribution of the rotation frequency, respectively 48 and 33 km. In this paper, after a more detailed statistical analysis, aiming to verify that the result is physically relevant, we found a better estimate for the transition diameter, respectively D C = 44 ± 2 km and D S = 30 ± 1 km. The ratio between these estimated transition diameters, D C/ D S = 1.5 ± 0.1, can be supported with the help of the YORP (Yarkovsky-O'Keefe-Radzievskii-Paddack) effect, although other physical causes cannot be completely ruled out. In this paper we have derived a simple scaling law for YORP which, taking into account the different average heliocentric distance, the bulk density, the albedo and the asteroid "asymmetry surface factor", has enabled us to reasonably justify the ratio between the diameters transition of C-type and S-type asteroids. The same scaling law can be used to estimate a new ratio between the bulk densities of S and C asteroids samples (giving ρ S/ ρ C ≈ 2.9 ± 0.3), and can explain why the asteroids near the transition diameter have about the same absolute magnitude. For C-type asteroids, using the found density ratio and other estimates of S-type density, it is also possible to estimate an average bulk density equal to 0.9 ± 0.1 g cm -3, a value compatible with icy composition. The suggested explanation for the difference of the transition diameters is a plausible hypothesis, consistent with the data, but it needs to be studied more in depth with further observations.

Water Storage and Related Physical Characteristics of Four Mineral Soils in North Central Minnesota

Treesearch

E. S. Verry

1969-01-01

Soil water storage in a 7.5 foot profile varied nearly 100 percent (7.9 to 15.5 inches) among four mineral soils ranging from a sand to sandy loam. Bulk density, size fractions, and four water retention values are tabulated for each horizon.

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...

An extended model based on the modified Nernst-Planck equation for describing transdermal iontophoresis of weak electrolytes.

PubMed

Imanidis, Georgios; Luetolf, Peter

2006-07-01

An extended model for iontophoretic enhancement of transdermal drug permeation under constant voltage is described based on the previously modified Nernst-Planck equation, which included the effect of convective solvent flow. This model resulted in an analytical expression for the enhancement factor as a function of applied voltage, convective flow velocity due to electroosmosis, ratio of lipid to aqueous pathway passive permeability, and weighted average net ionic valence of the permeant in the aqueous epidermis domain. The shift of pH in the epidermis compared to bulk caused by the electrical double layer at the lipid-aqueous domain interface was evaluated using the Poisson-Boltzmann equation. This was solved numerically for representative surface charge densities and yielded pH differences between bulk and epidermal aqueous domain between 0.05 and 0.4 pH units. The developed model was used to analyze the experimental enhancement of an amphoteric weak electrolyte measured in vitro using human cadaver epidermis and a voltage of 250 mV at different pH values. Parameter values characterizing the involved factors were determined that yielded the experimental enhancement factors and passive permeability coefficients at all pH values. The model provided a very good agreement between experimental and calculated enhancement and passive permeability. The deduced parameters showed (i) that the pH shift in the aqueous permeation pathway had a notable effect on the ionic valence and the partitioning of the drug in this domain for a high surface charge density and depending on the pK(a) and pI of the drug in relation to the bulk pH; (ii) the magnitude and the direction of convective transport due to electroosmosis typically reflected the density and sign, respectively, of surface charge of the tissue and its effect on enhancement was substantial for bulk pH values differing from the pI of epidermal tissue; (iii) the aqueous pathway predominantly determined passive permeability of the studied compound despite its measurable lipophilicity and therefore the lipid pathway did not notably affect enhancement. Hence, the proposed model can provide a good quantitative insight into the interplay between different phenomena and permeant properties influencing iontophoresis and can potentially be used as a predictive tool of the process.

[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.

The current-density distribution in a pulsed dc magnetron deposition discharge

NASA Astrophysics Data System (ADS)

Vetushka, Alena; Bradley, James W.

2007-04-01

Using a carefully constructed magnetic probe (a B-dot probe) the spatial and temporal evolution of the perturbation in the magnetic field ΔB in an unbalanced pulsed dc magnetron has been determined. The plasma was run in argon at a pressure of 0.74 Pa and the plasma ions sputtered a pure graphite target. The pulse frequency and duty were set at 100 kHz and 55%, respectively. From the ΔB measurements (measured with magnitudes up to about 0.01 mT) the axial, azimuthal and radial components of the total current density j in the plasma bulk were determined. In the plasma 'on' phase, the axial current density jz has a maximum value of approximately 200 A m-2 above the racetrack region, while high values in the azimuthal current density jΦ are distributed in a region from 1 to 3 cm into the bulk plasma with jΦ exceeding 350 A m-2. In the 'off' phase of the plasma, jz decays almost instantaneously (at least within the 100 ns time-resolution of the ΔB measurements) as the electric field collapses; however, jΦ decays with a characteristic time constant of about 1 µs. This slow decay can be attributed to the presence of decaying Grad-B and curvature drifts, with their rates controlled by the decay in the plasma density. A comparison between axial and azimuthal current densities in the plasma 'on' time, when the plasma is being driven, strongly indicates that classical transport does not operate in the magnetron discharge.

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.

Probability density of tunneled carrier states near heterojunctions calculated numerically by the scattering method.

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

Wampler, William R.; Myers, Samuel M.; Modine, Normand A.

2017-09-01

The energy-dependent probability density of tunneled carrier states for arbitrarily specified longitudinal potential-energy profiles in planar bipolar devices is numerically computed using the scattering method. Results agree accurately with a previous treatment based on solution of the localized eigenvalue problem, where computation times are much greater. These developments enable quantitative treatment of tunneling-assisted recombination in irradiated heterojunction bipolar transistors, where band offsets may enhance the tunneling effect by orders of magnitude. The calculations also reveal the density of non-tunneled carrier states in spatially varying potentials, and thereby test the common approximation of uniform- bulk values for such densities.

The drift-diffusion interpretation of the electron current within the organic semiconductor characterized by the bulk single energy trap level

NASA Astrophysics Data System (ADS)

Cvikl, B.

2010-01-01

The closed solution for the internal electric field and the total charge density derived in the drift-diffusion approximation for the model of a single layer organic semiconductor structure characterized by the bulk shallow single trap-charge energy level is presented. The solutions for two examples of electric field boundary conditions are tested on room temperature current density-voltage data of the electron conducting aluminum/tris(8-hydroxyquinoline aluminum/calcium structure [W. Brütting et al., Synth. Met. 122, 99 (2001)] for which jexp∝Va3.4, within the interval of bias 0.4 V≤Va≤7. In each case investigated the apparent electron mobility determined at given bias is distributed within a given, finite interval of values. The bias dependence of the logarithm of their lower limit, i.e., their minimum values, is found to be in each case, to a good approximation, proportional to the square root of the applied electric field. On account of the bias dependence as incorporated in the minimum value of the apparent electron mobility the spatial distribution of the organic bulk electric field as well as the total charge density turn out to be bias independent. The first case investigated is based on the boundary condition of zero electric field at the electron injection interface. It is shown that for minimum valued apparent mobilities, the strong but finite accumulation of electrons close to the anode is obtained, which characterize the inverted space charge limited current (SCLC) effect. The second example refers to the internal electric field allowing for self-adjustment of its boundary values. The total electron charge density is than found typically to be of U shape, which may, depending on the parameters, peak at both or at either Alq3 boundary. It is this example in which the proper SCLC effect is consequently predicted. In each of the above two cases, the calculations predict the minimum values of the electron apparent mobility, which substantially exceed the corresponding published measurements. For this reason the effect of the drift term alone is additionally investigated. On the basis of the published empirical electron mobilities and the diffusion term revoked, it is shown that the steady state electron current density within the Al/Alq3 (97 nm)/Ca single layer organic structure may well be pictured within the drift-only interpretation of the charge carriers within the Alq3 organic characterized by the single (shallow) trap energy level. In order to arrive at this result, it is necessary that the nonzero electric field, calculated to exist at the electron injecting Alq3/Ca boundary, is to be appropriately accounted for in the computation.

Lattice dynamics in elemental modulated Sb 2 Te 3 films: Lattice dynamics in elemental modulated Sb 2 Te 3 films

DOE PAGES

Bessas, D.; Winkler, M.; Sergueev, I.; ...

2015-09-03

We investigate the crystallinity and the lattice dynamics in elemental modulated Sbinline imageTeinline image films microscopically using high energy synchrotron radiation diffraction combined with inline imageSb nuclear inelastic scattering. The correlation length is found to be finite but less than 100 . Moreover, the element specific density of phonon states is extracted. A comparison with the element specific density of phonon states in bulk Sbinline imageTeinline image confirms that the main features in the density of phonon states arise from the layered structure. The average speed of sound at inline image inline image, is almost the same compared to bulkmore » Sbinline imageTeinline image at inline image, inline image. Similarly, the change in the acoustic cut-off energy is within the experimental detection limit. Therefore, we suggest that the lattice thermal conductivity in elemental modulated Sbinline imageTeinline image films should not be significantly changed from its bulk value.« less

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

Value of Bulk Heat Flux Parameterizations for Ocean SST Prediction

DTIC Science & Technology

2008-03-01

Generalized Digital Environmental Model ( GDEM ) climatology (NAVO- CEANO, 2003). The density difference values were chosen so that the layers tend to...Monthly mean temperature and salinity from the GDEM climatology in August are used to initialize the model. There is a relaxation to monthly mean SSS...and European Remote Sensing Satellite (ERS) data are used in ERA-40. The SST/Ice data set produced by the Hadley Centre and National Oceanic and

Value of Bulk Heat Flux Parameterizations for Ocean SST Prediction

DTIC Science & Technology

2008-01-01

Digital Environmental Model ( GDEM ) climatology (NAVO- CEANO, 2003). The density difference values were chosen so that the layers tend to become...Monthly mean temperature and salinity from the GDEM climatology in August are used to initialize the model. There is a relaxation to monthly mean...retrievals were used. In addition. Special Sensor Microwave Imager (SSM/1) and European Remote Sensing Satellite (ERS) data are used in ERA-40. The SST/Ice

Perovskite oxides: Oxygen electrocatalysis and bulk structure

NASA Technical Reports Server (NTRS)

Carbonio, R. E.; Fierro, C.; Tryk, D.; Scherson, D.; Yeager, Ernest

1987-01-01

Perovskite type oxides were considered for use as oxygen reduction and generation electrocatalysts in alkaline electrolytes. Perovskite stability and electrocatalytic activity are studied along with possible relationships of the latter with the bulk solid state properties. A series of compounds of the type LaFe(x)Ni1(-x)O3 was used as a model system to gain information on the possible relationships between surface catalytic activity and bulk structure. Hydrogen peroxide decomposition rate constants were measured for these compounds. Ex situ Mossbauer effect spectroscopy (MES), and magnetic susceptibility measurements were used to study the solid state properties. X ray photoelectron spectroscopy (XPS) was used to examine the surface. MES has indicated the presence of a paramagnetic to magnetically ordered phase transition for values of x between 0.4 and 0.5. A correlation was found between the values of the MES isomer shift and the catalytic activity for peroxide decomposition. Thus, the catalytic activity can be correlated to the d-electron density for the transition metal cations.

Perovskite-type oxides - Oxygen electrocatalysis and bulk structure

NASA Technical Reports Server (NTRS)

Carbonio, R. E.; Fierro, C.; Tryk, D.; Scherson, D.; Yeager, E.

1988-01-01

Perovskite type oxides were considered for use as oxygen reduction and generation electrocatalysts in alkaline electrolytes. Perovskite stability and electrocatalytic activity are studied along with possible relationships of the latter with the bulk solid state properties. A series of compounds of the type LaFe(x)Ni1(-x)O3 was used as a model system to gain information on the possible relationships between surface catalytic activity and bulk structure. Hydrogen peroxide decomposition rate constants were measured for these compounds. Ex situ Mossbauer effect spectroscopy (MES), and magnetic susceptibility measurements were used to study the solid state properties. X ray photoelectron spectroscopy (XPS) was used to examine the surface. MES has indicated the presence of a paramagnetic to magnetically ordered phase transition for values of x between 0.4 and 0.5. A correlation was found between the values of the MES isomer shift and the catalytic activity for peroxide decomposition. Thus, the catalytic activity can be correlated to the d-electron density for the transition metal cations.

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.

Measured acoustic properties of variable and low density bulk absorbers

NASA Technical Reports Server (NTRS)

Dahl, M. D.; Rice, E. J.

1985-01-01

Experimental data were taken to determine the acoustic absorbing properties of uniform low density and layered variable density samples using a bulk absober with a perforated plate facing to hold the material in place. In the layered variable density case, the bulk absorber was packed such that the lowest density layer began at the surface of the sample and progressed to higher density layers deeper inside. The samples were placed in a rectangular duct and measurements were taken using the two microphone method. The data were used to calculate specific acoustic impedances and normal incidence absorption coefficients. Results showed that for uniform density samples the absorption coefficient at low frequencies decreased with increasing density and resonances occurred in the absorption coefficient curve at lower densities. These results were confirmed by a model for uniform density bulk absorbers. Results from layered variable density samples showed that low frequency absorption was the highest when the lowest density possible was packed in the first layer near the exposed surface. The layers of increasing density within the sample had the effect of damping the resonances.

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).

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.

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).

Optimization of intermittent microwave–convective drying using response surface methodology

PubMed Central

Aghilinategh, Nahid; Rafiee, Shahin; Hosseinpur, Soleiman; Omid, Mahmoud; Mohtasebi, Seyed Saeid

2015-01-01

In this study, response surface methodology was used for optimization of intermittent microwave–convective air drying (IMWC) parameters with employing desirability function. Optimization factors were air temperature (40–80°C), air velocity (1–2 m/sec), pulse ratio) PR ((2–6), and microwave power (200–600 W) while responses were rehydration ratio, bulk density, total phenol content (TPC), color change, and energy consumption. Minimum color change, bulk density, energy consumption, maximum rehydration ratio, and TPC were assumed as criteria for optimizing drying conditions of apple slices in IMWC. The optimum values of process variables were 1.78 m/sec air velocity, 40°C air temperature, PR 4.48, and 600 W microwave power that characterized by maximum desirability function (0.792) using Design expert 8.0. The air temperature and microwave power had significant effect on total responses, but the role of air velocity can be ignored. Generally, the results indicated that it was possible to obtain a higher desirability value if the microwave power and temperature, respectively, increase and decrease. PMID:26286706

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.

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.

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.

Vacuum currents in braneworlds on AdS bulk with compact dimensions

NASA Astrophysics Data System (ADS)

Bellucci, S.; Saharian, A. A.; Vardanyan, V.

2015-11-01

The two-point function and the vacuum expectation value (VEV) of the current density are investigated for a massive charged scalar field with arbitrary curvature coupling in the geometry of a brane on the background of AdS spacetime with partial toroidal compactification. The presence of a gauge field flux, enclosed by compact dimensions, is assumed. On the brane the field obeys Robin boundary condition and along compact dimensions periodicity conditions with general phases are imposed. There is a range in the space of the values for the coefficient in the boundary condition where the Poincaré vacuum is unstable. This range depends on the location of the brane and is different for the regions between the brane and AdS boundary and between the brane and the horizon. In models with compact dimensions the stability condition is less restrictive than that for the AdS bulk with trivial topology. The vacuum charge density and the components of the current along non-compact dimensions vanish. The VEV of the current density along compact dimensions is a periodic function of the gauge field flux with the period equal to the flux quantum. It is decomposed into the boundary-free and brane-induced contributions. The asymptotic behavior of the latter is investigated near the brane, near the AdS boundary and near the horizon. It is shown that, in contrast to the VEVs of the field squared an denergy-momentum tensor, the current density is finite on the brane and vanishes for the special case of Dirichlet boundary condition. Both the boundary-free and brane-induced contributions vanish on the AdS boundary. The brane-induced contribution vanishes on the horizon and for points near the horizon the current is dominated by the boundary-free part. In the near-horizon limit, the latter is connected to the corresponding quantity for a massless field in the Minkowski bulk by a simple conformal relation. Depending on the value of the Robin coefficient, the presence of the brane can either increase or decrease the vacuum currents. Applications are given for a higher-dimensional version of the Randall-Sundrum 1-brane model.

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.

A comprehensive evaluation of factors that influence the spin polarization of electrons emitted from bulk GaAs photocathodes

DOE PAGES

Liu, Wei; Poelker, Matt; Peng, Xincun; ...

2017-07-19

Here, the degree of polarization of photoemitted electrons extracted from bulk unstrained GaAs photocathodes is usually considerably less than the theoretical maximum value of 50%, as a result of depolarization mechanisms that originate within the photocathode material and at the vacuum surface interface. This paper provides a comprehensive review of depolarization mechanisms and presents a systematic experimental evaluation of polarization sensitivities to temperature, dopant density, quantum efficiency, and crystal orientation. The highest measured polarization was similar to 50%, consistent with the maximum theoretical value, obtained from a photocathode sample with relatively low dopant concentration and cooled to 77 K. Inmore » general, measurements indicate electron spin polarization can be enhanced at the expense of photoelectron yield (or quantum efficiency).« less

A comprehensive evaluation of factors that influence the spin polarization of electrons emitted from bulk GaAs photocathodes

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

Liu, Wei; Poelker, Matt; Peng, Xincun

Here, the degree of polarization of photoemitted electrons extracted from bulk unstrained GaAs photocathodes is usually considerably less than the theoretical maximum value of 50%, as a result of depolarization mechanisms that originate within the photocathode material and at the vacuum surface interface. This paper provides a comprehensive review of depolarization mechanisms and presents a systematic experimental evaluation of polarization sensitivities to temperature, dopant density, quantum efficiency, and crystal orientation. The highest measured polarization was similar to 50%, consistent with the maximum theoretical value, obtained from a photocathode sample with relatively low dopant concentration and cooled to 77 K. Inmore » general, measurements indicate electron spin polarization can be enhanced at the expense of photoelectron yield (or quantum efficiency).« 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...

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%.

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.

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.

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

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

Measurement of the loss tangent of low-density polyethylene with a nanoindentation technique

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

Loubet, J. L.; Oliver, W. C.; Lucas, B. N.

2000-05-01

This paper describes experimental measurements of the linear viscoelastic behavior of the surface of low-density (LD) polyethylene in contact with a pyramidal Berkovich diamond indenter. The experiments were carried out at two different temperatures, 15.9 and 27.2 degree sign C, between frequencies of 0.1 and 800 Hz. Using the shift of the loss tangent between the two temperatures at frequencies lower than 20 Hz and an Arrhenius equation, an activation energy of 105{+-}2 kJ/mol was obtained. This value is in good agreement with the bulk value of the {alpha} relaxation of LD polyethylene reported in the literature. (c) 2000 Materialsmore » Research Society.« 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.

Real-time particle size analysis using focused beam reflectance measurement as a process analytical technology tool for a continuous granulation-drying-milling process.

PubMed

Kumar, Vijay; Taylor, Michael K; Mehrotra, Amit; Stagner, William C

2013-06-01

Focused beam reflectance measurement (FBRM) was used as a process analytical technology tool to perform inline real-time particle size analysis of a proprietary granulation manufactured using a continuous twin-screw granulation-drying-milling process. A significant relationship between D20, D50, and D80 length-weighted chord length and sieve particle size was observed with a p value of <0.0001 and R(2) of 0.886. A central composite response surface statistical design was used to evaluate the effect of granulator screw speed and Comil® impeller speed on the length-weighted chord length distribution (CLD) and particle size distribution (PSD) determined by FBRM and nested sieve analysis, respectively. The effect of granulator speed and mill speed on bulk density, tapped density, Compressibility Index, and Flowability Index were also investigated. An inline FBRM probe placed below the Comil-generated chord lengths and CLD data at designated times. The collection of the milled samples for sieve analysis and PSD evaluation were coordinated with the timing of the FBRM determinations. Both FBRM and sieve analysis resulted in similar bimodal distributions for all ten manufactured batches studied. Within the experimental space studied, the granulator screw speed (650-850 rpm) and Comil® impeller speed (1,000-2,000 rpm) did not have a significant effect on CLD, PSD, bulk density, tapped density, Compressibility Index, and Flowability Index (p value > 0.05).

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...

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.

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

Compressibility of the protein-water interface

NASA Astrophysics Data System (ADS)

Persson, Filip; Halle, Bertil

2018-06-01

The compressibility of a protein relates to its stability, flexibility, and hydrophobic interactions, but the measurement, interpretation, and computation of this important thermodynamic parameter present technical and conceptual challenges. Here, we present a theoretical analysis of protein compressibility and apply it to molecular dynamics simulations of four globular proteins. Using additively weighted Voronoi tessellation, we decompose the solution compressibility into contributions from the protein and its hydration shells. We find that positively cross-correlated protein-water volume fluctuations account for more than half of the protein compressibility that governs the protein's pressure response, while the self correlations correspond to small (˜0.7%) fluctuations of the protein volume. The self compressibility is nearly the same as for ice, whereas the total protein compressibility, including cross correlations, is ˜45% of the bulk-water value. Taking the inhomogeneous solvent density into account, we decompose the experimentally accessible protein partial compressibility into intrinsic, hydration, and molecular exchange contributions and show how they can be computed with good statistical accuracy despite the dominant bulk-water contribution. The exchange contribution describes how the protein solution responds to an applied pressure by redistributing water molecules from lower to higher density; it is negligibly small for native proteins, but potentially important for non-native states. Because the hydration shell is an open system, the conventional closed-system compressibility definitions yield a pseudo-compressibility. We define an intrinsic shell compressibility, unaffected by occupation number fluctuations, and show that it approaches the bulk-water value exponentially with a decay "length" of one shell, less than the bulk-water compressibility correlation length. In the first hydration shell, the intrinsic compressibility is 25%-30% lower than in bulk water, whereas its self part is 15%-20% lower. These large reductions are caused mainly by the proximity to the more rigid protein and are not a consequence of the perturbed water structure.

Compressibility of the protein-water interface.

PubMed

Persson, Filip; Halle, Bertil

2018-06-07

The compressibility of a protein relates to its stability, flexibility, and hydrophobic interactions, but the measurement, interpretation, and computation of this important thermodynamic parameter present technical and conceptual challenges. Here, we present a theoretical analysis of protein compressibility and apply it to molecular dynamics simulations of four globular proteins. Using additively weighted Voronoi tessellation, we decompose the solution compressibility into contributions from the protein and its hydration shells. We find that positively cross-correlated protein-water volume fluctuations account for more than half of the protein compressibility that governs the protein's pressure response, while the self correlations correspond to small (∼0.7%) fluctuations of the protein volume. The self compressibility is nearly the same as for ice, whereas the total protein compressibility, including cross correlations, is ∼45% of the bulk-water value. Taking the inhomogeneous solvent density into account, we decompose the experimentally accessible protein partial compressibility into intrinsic, hydration, and molecular exchange contributions and show how they can be computed with good statistical accuracy despite the dominant bulk-water contribution. The exchange contribution describes how the protein solution responds to an applied pressure by redistributing water molecules from lower to higher density; it is negligibly small for native proteins, but potentially important for non-native states. Because the hydration shell is an open system, the conventional closed-system compressibility definitions yield a pseudo-compressibility. We define an intrinsic shell compressibility, unaffected by occupation number fluctuations, and show that it approaches the bulk-water value exponentially with a decay "length" of one shell, less than the bulk-water compressibility correlation length. In the first hydration shell, the intrinsic compressibility is 25%-30% lower than in bulk water, whereas its self part is 15%-20% lower. These large reductions are caused mainly by the proximity to the more rigid protein and are not a consequence of the perturbed water structure.

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.

Flexoelectricity in ATiO3 (A = Sr, Ba, Pb) perovskite oxide superlattices from density functional theory

NASA Astrophysics Data System (ADS)

Plymill, Austin; Xu, Haixuan

2018-04-01

Flexoelectric coefficients for several bulk and superlattice perovskite systems are determined using a direct approach from first principles density functional theory calculations. A strong enhancement in the longitudinal flexoelectric coefficient has been observed in the 1SrTiO3/1PbTiO3 superlattice with alternating single atomic layers of SrTiO3 and PbTiO3. It was found that atomistic displacement, charge response under strain, and interfaces affect the flexoelectric properties of perovskite superlattice systems. These factors can be used to tune this effect in dielectrics. It was further found that the calculated Born effective charge for an ion under the influence of strain can differ significantly from the bulk value. These insights can be used to help search for more effective flexoelectric materials to be implemented in electromechanical devices.

Effect of initial bulk density on high-solids anaerobic digestion of MSW: General mechanism.

PubMed

Caicedo, Luis M; Wang, Hongtao; Lu, Wenjing; De Clercq, Djavan; Liu, Yanjun; Xu, Sai; Ni, Zhe

2017-06-01

Initial bulk density (IBD) is an important variable in anaerobic digestion since it defines and optimizes the treatment capacity of a system. This study reveals the mechanism on how IBD might affect anaerobic digestion of waste. Four different IBD values: D 1 (500-700kgm -3 ), D 2 (900-1000kgm -3 ), D 3 (1100-1200kgm -3 ) and D 4 (1200-1400kgm -3 ) were set and tested over a period of 90days in simulated landfill reactors. The main variables affected by the IBD are the methane generation, saturation degree, extraction of organic matter, and the total population of methanogens. The study identified that IBD >1000kgm -3 may have significant effect on methane generation, either prolonging the lag time or completely inhibiting the process. This study provides a new understanding of the anaerobic digestion process in saturated high-solids systems. Copyright © 2017 Elsevier Ltd. All rights reserved.

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.

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.

Thermodynamic and mechanical properties of epoxy resin DGEBF crosslinked with DETDA by molecular dynamics.

PubMed

Tack, Jeremy L; Ford, David M

2008-06-01

Fully atomistic molecular dynamics (MD) simulations were used to predict the properties of diglycidyl ether of bisphenol F (DGEBF) crosslinked with curing agent diethyltoluenediamine (DETDA). This polymer is a commercially important epoxy resin and a candidate for applications in nanocomposites. The calculated properties were density and bulk modulus (at near-ambient pressure and temperature) and glass transition temperature (at near-ambient pressure). The molecular topology, degree of curing, and MD force-field were investigated as variables. The models were created by densely packing pre-constructed oligomers of different composition and connectivity into a periodic simulation box. For high degrees of curing (greater than 90%), the density was found to be insensitive to the molecular topology and precise value of degree of curing. Of the two force-fields that were investigated, cff91 and COMPASS, the latter clearly gave more accurate values for the density as compared to experiment. In fact, the density predicted by COMPASS was within 6% of reported experimental values for the highly crosslinked polymer. The predictions of both force-fields for glass transition temperature were within the range of reported experimental values, with the predictions of cff91 being more consistent with a highly cured resin.

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-...

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

Mallow, Anne M; Abdelaziz, Omar; Graham, Samuel

The thermal charging performance of phase change materials, specifically paraffin wax, combined with compressed expanded natural graphite foam is studied under constant heat flux and constant temperature conditions. By varying the heat flux between 0.39 W/cm2 and 1.55 W/cm2 or maintaining a boundary temperature of 60 C for four graphite foam bulk densities, the impact on the rate of thermal energy storage is discussed. Thermal charging experiments indicate that thermal conductivity of the composite is an insufficient metric to compare the influence of graphite foam on the rate of thermal energy storage of the PCM composite. By dividing the latentmore » heat of the composite by the time to melt for various boundary conditions and graphite foam bulk densities, it is determined that bulk density selection is dependent on the applied boundary condition. A greater bulk density is advantageous for samples exposed to a constant temperature near the melting temperature as compared to constant heat flux conditions where a lower bulk density is adequate. Furthermore, the anisotropic nature of graphite foam bulk densities greater than 50 kg/m3 is shown to have an insignificant impact on the rate of thermal charging. These experimental results are used to validate a computational model for future use in the design of thermal batteries for waste heat recovery.« less

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...

Adsorption behaviors of supercritical Lennard-Jones fluid in slit-like pores.

PubMed

Li, Yingfeng; Cui, Mengqi; Peng, Bo; Qin, Mingde

2018-05-18

Understanding the adsorption behaviors of supercritical fluid in confined space is pivotal for coupling the supercritical technology and the membrane separation technology. Based on grand canonical Monte Carlo simulations, the adsorption behaviors of a Lennard-Jones (LJ) fluid in slit-like pores at reduced temperatures over the critical temperature, T c *  = 1.312, are investigated; and impacts of the wall-fluid interactions, the pore width, and the temperature are taken into account. It is found that even if under supercritical conditions, the LJ fluid can undergo a "vapor-liquid phase transition" in confined space, i.e., the adsorption density undergoes a sudden increase with the bulk density. A greater wall-fluid attractive potential, a smaller pore width, and a lower temperature will bring about a stronger confinement effect. Besides, the adsorption pressure reaches a local minimum when the bulk density equals to a certain value, independent of the wall-fluid potential or pore width. The insights in this work have both practical and theoretical significances. Copyright © 2018 Elsevier Inc. All rights reserved.

Effect of oxygen partial pressure on the density of antiphase boundaries in Fe3O4 thin films on Si(100)

NASA Astrophysics Data System (ADS)

Singh, Suraj Kumar; Husain, Sajid; Kumar, Ankit; Chaudhary, Sujeet

2018-02-01

Polycrystalline Fe3O4 thin films were grown on Si(100) substrate by reactive DC sputtering at different oxygen partial pressures PO2 for controlling the growth associated density of antiphase boundaries (APBs). The micro-Raman analyses were performed to study the structural and electronic properties in these films. The growth linked changes in the APBs density are probed by electron-phonon coupling strength (λ) and isothermal magnetization measurements. The estimated values of λ are found to vary from 0.39 to 0.56 with the increase in PO2 from 2.2 × 10-5 to 3.0 × 10-5 Torr, respectively. The saturation magnetization (saturation field) values are found to increase (decrease) from 394 (5.9) to 439 (3.0) emu/cm3 (kOe) with the increase in PO2 . The sharp Verwey transition (∼120 K), low saturation field, high saturation magnetization and low value of λ (comparable to the bulk value ∼0.51) clearly affirm the negligible amount of APBs in the high oxygen partial pressure deposited thin films.

Mechanical properties of dust collected by dust separators in iron ore sinter plants.

PubMed

Lanzerstorfer, Christof

2015-01-01

The flow-related mechanical properties of dusts from the de-dusting systems of several sinter plants were investigated. The mass median diameters of the dusts were in the range from approximately 3 to 100 µm. Also, the bulk density of the dusts varied in a wide range (approximately 400 to 2300 kg/m³). A good correlation between the bulk density and the mass median diameter for most of the dusts was found. In contrast, the angles of repose did not vary very much, only for the coarsest dust a significantly lower value was measured. The angles of internal friction as well as the wall friction angles were lower for coarse dust and higher for fine dust. The shear tests showed that both angles depend considerably on the stress level. At low stress, the angles decreased significantly with increasing values of stress, whereas at higher stress, the dependence was small or even disappeared. The only exception to this behaviour was shown by the finest dust. The flowability decreased with the particle size. The flowability categories suggested by the three flowability indicators were passable only for the coarser dusts. For the finer dusts, the flowability was overestimated by all flowability indicators.

The geometry of protein hydration

NASA Astrophysics Data System (ADS)

Persson, Filip; Söderhjelm, Pär; Halle, Bertil

2018-06-01

Based on molecular dynamics simulations of four globular proteins in dilute aqueous solution, with three different water models, we examine several, essentially geometrical, aspects of the protein-water interface that remain controversial or incompletely understood. First, we compare different hydration shell definitions, based on spatial or topological proximity criteria. We find that the best method for constructing monolayer shells with nearly complete coverage is to use a 5 Å water-carbon cutoff and a 4 Å water-water cutoff. Using this method, we determine a mean interfacial water area of 11.1 Å2 which appears to be a universal property of the protein-water interface. We then analyze the local coordination and packing density of water molecules in the hydration shells and in subsets of the first shell. The mean polar water coordination number in the first shell remains within 1% of the bulk-water value, and it is 5% lower in the nonpolar part of the first shell. The local packing density is obtained from additively weighted Voronoi tessellation, arguably the most physically realistic method for allocating space between protein and water. We find that water in all parts of the first hydration shell, including the nonpolar part, is more densely packed than in the bulk, with a shell-averaged density excess of 6% for all four proteins. We suggest reasons why this value differs from previous experimental and computational results, emphasizing the importance of a realistic placement of the protein-water dividing surface and the distinction between spatial correlation and packing density. The protein-induced perturbation of water coordination and packing density is found to be short-ranged, with an exponential decay "length" of 0.6 shells. We also compute the protein partial volume, analyze its decomposition, and argue against the relevance of electrostriction.

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.

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.

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

An estimate of the bulk viscosity of the hadronic medium

NASA Astrophysics Data System (ADS)

Sarwar, Golam; Chatterjee, Sandeep; Alam, Jane

2017-05-01

The bulk viscosity (ζ) of the hadronic medium has been estimated within the ambit of the Hadron Resonance Gas (HRG) model including the Hagedorn density of states. The HRG thermodynamics within a grand canonical ensemble provides the mean hadron number as well as its fluctuation. The fluctuation in the chemical composition of the hadronic medium in the grand canonical ensemble can result in non-zero divergence of the hadronic fluid flow velocity, allowing us to estimate the ζ of the hadronic matter up to a relaxation time. We study the influence of the hadronic spectrum on ζ and find its correlation with the conformal symmetry breaking measure, ε -3P. We estimate ζ along the contours with constant, S/{N}B (total entropy/net baryon number) in the T-μ plane (temperature-baryonic chemical potential) for S/{N}B=30,45 and 300. We also assess the value of ζ on the chemical freeze-out curve for various centers of mass energy (\\sqrt{{s}{NN}}) and find that the bulk viscosity to entropy density ratio, \\zeta /s is larger in the energy range of the beam energy scan program of RHIC, low energy SPS run, AGS, NICA and FAIR, than LHC energies.

Experimental evidence of beam-foil plasma creation during ion-solid interaction

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

Sharma, Prashant, E-mail: prashant@iuac.res.in; Nandi, Tapan

2016-08-15

Charge state evolution of the energetic projectile ions during the passage through thin carbon foils has been revisited using the X-ray spectroscopy technique. Contributions from the bulk and the solid surface in the charge changing processes have been segregated by measuring the charge state distribution of the projectile ions in the bulk of the target during the ion–solid interaction. Interestingly, the charge state distribution measured in the bulk exhibits Lorentzian profile in contrast to the well-known Gaussian structure observed using the electromagnetic methods and the theoretical predictions. The occurrence of such behavior is a direct consequence of the imbalance betweenmore » charge changing processes, which has been seen in various cases of the laboratory plasma. It suggests that the ion-solid collisions constitute high-density, localized plasma in the bulk of the solid target, called the beam-foil plasma. This condensed beam-foil plasma is similar to the high-density solar and stellar plasma which may have practical implementations in various fields, in particular, plasma physics and nuclear astrophysics. The present work suggests further modification in the theoretical charge state distribution calculations by incorporating the plasma coupling effects during the ion–solid interactions. Moreover, the multi-electron capture from the target exit surface has been confirmed through comparison between experimentally measured and theoretically predicted values of the mean charge state of the projectile ions.« less

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

Investigation of Aerosol Surface Area Estimation from Number and Mass Concentration Measurements: Particle Density Effect

PubMed Central

Ku, Bon Ki; Evans, Douglas E.

2015-01-01

For nanoparticles with nonspherical morphologies, e.g., open agglomerates or fibrous particles, it is expected that the actual density of agglomerates may be significantly different from the bulk material density. It is further expected that using the material density may upset the relationship between surface area and mass when a method for estimating aerosol surface area from number and mass concentrations (referred to as “Maynard’s estimation method”) is used. Therefore, it is necessary to quantitatively investigate how much the Maynard’s estimation method depends on particle morphology and density. In this study, aerosol surface area estimated from number and mass concentration measurements was evaluated and compared with values from two reference methods: a method proposed by Lall and Friedlander for agglomerates and a mobility based method for compact nonspherical particles using well-defined polydisperse aerosols with known particle densities. Polydisperse silver aerosol particles were generated by an aerosol generation facility. Generated aerosols had a range of morphologies, count median diameters (CMD) between 25 and 50 nm, and geometric standard deviations (GSD) between 1.5 and 1.8. The surface area estimates from number and mass concentration measurements correlated well with the two reference values when gravimetric mass was used. The aerosol surface area estimates from the Maynard’s estimation method were comparable to the reference method for all particle morphologies within the surface area ratios of 3.31 and 0.19 for assumed GSDs 1.5 and 1.8, respectively, when the bulk material density of silver was used. The difference between the Maynard’s estimation method and surface area measured by the reference method for fractal-like agglomerates decreased from 79% to 23% when the measured effective particle density was used, while the difference for nearly spherical particles decreased from 30% to 24%. The results indicate that the use of particle density of agglomerates improves the accuracy of the Maynard’s estimation method and that an effective density should be taken into account, when known, when estimating aerosol surface area of nonspherical aerosol such as open agglomerates and fibrous particles. PMID:26526560

Investigation of Aerosol Surface Area Estimation from Number and Mass Concentration Measurements: Particle Density Effect.

PubMed

Ku, Bon Ki; Evans, Douglas E

2012-04-01

For nanoparticles with nonspherical morphologies, e.g., open agglomerates or fibrous particles, it is expected that the actual density of agglomerates may be significantly different from the bulk material density. It is further expected that using the material density may upset the relationship between surface area and mass when a method for estimating aerosol surface area from number and mass concentrations (referred to as "Maynard's estimation method") is used. Therefore, it is necessary to quantitatively investigate how much the Maynard's estimation method depends on particle morphology and density. In this study, aerosol surface area estimated from number and mass concentration measurements was evaluated and compared with values from two reference methods: a method proposed by Lall and Friedlander for agglomerates and a mobility based method for compact nonspherical particles using well-defined polydisperse aerosols with known particle densities. Polydisperse silver aerosol particles were generated by an aerosol generation facility. Generated aerosols had a range of morphologies, count median diameters (CMD) between 25 and 50 nm, and geometric standard deviations (GSD) between 1.5 and 1.8. The surface area estimates from number and mass concentration measurements correlated well with the two reference values when gravimetric mass was used. The aerosol surface area estimates from the Maynard's estimation method were comparable to the reference method for all particle morphologies within the surface area ratios of 3.31 and 0.19 for assumed GSDs 1.5 and 1.8, respectively, when the bulk material density of silver was used. The difference between the Maynard's estimation method and surface area measured by the reference method for fractal-like agglomerates decreased from 79% to 23% when the measured effective particle density was used, while the difference for nearly spherical particles decreased from 30% to 24%. The results indicate that the use of particle density of agglomerates improves the accuracy of the Maynard's estimation method and that an effective density should be taken into account, when known, when estimating aerosol surface area of nonspherical aerosol such as open agglomerates and fibrous particles.

Impact of Camping on Soil Properties at Strawberry Lake, North Dakota, USA

NASA Astrophysics Data System (ADS)

Brevik, Eric C.; Tibor, Matthew A.

2014-05-01

Recreational activity at campsites can cause compaction and metal contamination of soils. This study compared the bulk densities, penetration resistance values, organic matter contents, and Zn, Mn, and Cu contents of soils sampled from zones of varying recreational activity within the campsites at Strawberry Lake, North Dakota, USA. The results of this study showed that there were statistically significant increases in the soil bulk densities and soil penetration resistance values compared to the controls. However, the low recreational intensity has not compacted the surface soils beyond an average of 1.36 g cm-3, which is not dense enough to hinder the root growth of the surrounding vegetation. There were no statistically significant differences between the soil organic matter content of the different activity zones at the 95% confidence interval. Zinc values were four orders of magnitude and Cu values three to four orders of magnitude below US EPA guideline limits. The EPA does not have guidelines for Mn, but Mn levels were lower than reported typical natural values for a nearby area. Therefore, metal contents were not high enough to be of concern. Taken together, these results were interpreted to indicate that the low-intensity camping activities that occur at Strawberry Lake campground have not had a significant negative impact on the soils found there. Additional information on this study can be found in Tibor and Brevik (2013). Reference Tibor, M.A., and E.C. Brevik. 2013. Anthropogenic Impacts on Campsite Soils at Strawberry Lake, North Dakota. Soil Horizons 54: doi:10.2136/sh13-06-0016.

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

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 (...

Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U(V) method.

PubMed

Xu, Zhongnan; Joshi, Yogesh V; Raman, Sumathy; Kitchin, John R

2015-04-14

We validate the usage of the calculated, linear response Hubbard U for evaluating accurate electronic and chemical properties of bulk 3d transition metal oxides. We find calculated values of U lead to improved band gaps. For the evaluation of accurate reaction energies, we first identify and eliminate contributions to the reaction energies of bulk systems due only to changes in U and construct a thermodynamic cycle that references the total energies of unique U systems to a common point using a DFT + U(V) method, which we recast from a recently introduced DFT + U(R) method for molecular systems. We then introduce a semi-empirical method based on weighted DFT/DFT + U cohesive energies to calculate bulk oxidation energies of transition metal oxides using density functional theory and linear response calculated U values. We validate this method by calculating 14 reactions energies involving V, Cr, Mn, Fe, and Co oxides. We find up to an 85% reduction of the mean average error (MAE) compared to energies calculated with the Perdew-Burke-Ernzerhof functional. When our method is compared with DFT + U with empirically derived U values and the HSE06 hybrid functional, we find up to 65% and 39% reductions in the MAE, respectively.

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.

Constraining Bulk Densities of Near-Earth Asteroid Surfaces from Radar Observations Using Laboratory Measurements of Permittivity

NASA Astrophysics Data System (ADS)

Hickson, D. C.; Boivin, A.; Daly, M. G.; Ghent, R. R.; Nolan, M. C.; Tait, K.; Cunje, A.; Tsai, C. A.

2017-12-01

Planetary radar is widely used to survey the Near-Earth Asteroid (NEA) population and can provide insight into target shapes, sizes, and spin states. The dual-polarization reflectivity is sensitive to surface roughness as well as material properties, specifically the real part of the complex permittivity, or dielectric constant. Knowledge of the behavior of the dielectric constant of asteroid regolith analogue material with environmental parameters can be used to inversely solve for such parameters, such as bulk density, from radar observations. In this study laboratory measurements of the complex permittivity of powdered aluminum oxide and dunite samples are performed in a low-pressure environment chamber using a coaxial transmission line from roughly 1 GHz to 8.5 GHz. The bulk densities of the samples are varied across the measurements by incrementally adding silica aerogel, a low-density material with a very low dielectric constant. This allows the alteration of the proportions of void space to solid particle grains to achieve microgravity-relevant porosities without significantly altering the dielectric properties of the powder sample. The data are then modeled using various electromagnetic mixing equations to characterize the change in dielectric constant with increasing volume fractions of void space (decreasing bulk density). Using spectral analogues as constraints on the composition of NEAs allows us to calculate the range in bulk densities in the near surface of NEAs that have been observed by planetary radar. Utilizing existing radar data from Arecibo Observatory we calculate the bulk density in the near-surface on (101955) Bennu, the target of NASA's OSIRIS-Rex mission, to be ρ = 1.27 ± 0.33 g cm-3 based on an average of the likely range in particle density and dielectric constant of the regolith material.

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...

Study on dielectric properties of fresh vegetables and jamun

NASA Astrophysics Data System (ADS)

Usha, P.; Kumar, Sanjeev

2017-08-01

The Present work is concerned with the measurement of the complex dielectric permittivity, conductivity, and loss tangent and penetration depth of some vegetables and jamun frouit.. The measurement makes use of the “Von-Hipple method” for bulk sample. If the sample is not available with the dimension of the wave guide then reflectrometry technique is used for the pulverized (Powder) form of the sample and computed all the above parameters and relaxation time for the sample Jamun Seed (Scientific Name of Jamun is Syzygium cumini Lin). The measurement were performed for different packing densities at 9.85 GHz. at different temperature (20°c, 35°c and 50°c). The result was correlated with Landau-Lifshitz-Looyenga and Bottcher. There is fair agreement between the calculated values of dielectric parameters and the values obtained experimentally for solid bulk and pulverized one.

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.

Evaluation of selected properties of gluten-free instant gruels processed under various extrusion-cook- ing conditions.

PubMed

Kręcisz, Magdalena; Wójtowicz, Agnieszka

2017-01-01

For consumers suffering with gluten intolerance, the only way to manage the condition is to avoid foods which are high in gluten. Instant gruels, processed from gluten-free corn and rice by extrusion cooking, could be used as a ready meal both for children and for adults on a gluten-free diet. The aim of the study was to evaluate the effects of various processing conditions on selected characteristics of corn-rice instant gruels. Corn-rice mixtures (75:25 and 50:50) were processed at 12, 14, 16 and 18% of initial moisture content, using an extruder with screw speeds of 80, 100 and 120 rpm. Bulk density, water absorption and solubility, gel formation, color and sensory characteristics were assessed, under various pro- cessing conditions and with various corn:rice ratios. The composition of the raw materials, initial moisture content and screw speed applied during processing affected the characteristics of the corn-rice extruded instant gruels. Increasing the amount of rice in the recipe from 25 to 50% resulted in decreased bulk density, water solubility, volumetric gel formation ability and b* value. Increasing the initial moisture content increased the bulk density, L*, a* and b* intensity, and gel formation index values of extrudates made with a 75:25 corn-rice recipe. Increased rpm increased extrudate solubility and water absorption, if the initial moisture content was higher than 14%. The highest scores for overall acceptability were found for milk suspensions of 75:25 and 50:50 corn-rice instant gruels processed at 12 and 14% of initial moisture content, at 120 rpm. Corn-rice instant gruels can be successfully produced by extrusion-cooking. Variable param- eters, like the initial moisture content of raw materials or screw speed during processing significantly affected the properties of the products. An understanding of the effects of processing conditions on some qualities of extruded instant gruels allows more desirable products to be created. Moreover, the various components can be used for extruded products for consumers on gluten-free diets. Functional additives incorporated in the recipe to improve the nutritional value of the extrudates, which will be investigated in our upcoming research.

Technical Note: Is bulk electron density assignment appropriate for MRI-only based treatment planning for lung cancer?

PubMed

Prior, Phil; Chen, Xinfeng; Gore, Elizabeth; Johnstone, Candice; Li, X Allen

2017-07-01

MRI-based treatment planning in radiation therapy (RT) is prohibitive, in part, due to the lack of electron density (ED) information within the image. The dosimetric differences between MRI- and CT-based planning for intensity modulated RT (IMRT) of lung cancer were investigated to assess the appropriateness of bulk ED assignment. Planning CTs acquired for six representative lung cancer patients were used to generate bulk ED IMRT plans. To avoid the effect of anatomic differences between CT and MRI, "simulated MRI-based plans" were generated by forcing the relative ED (rED) to water on CT-delineated structures using organ specific values from the ICRU Report 46 and using the mean rED value of the internal target volume (ITV) from the planning CT. The "simulated MRI-based plans" were generated using a research planning system (Monaco v5.09.07a, Elekta, AB) and employing Monte Carlo dose calculation. The following dose-volume-parameters (DVPs) were collected from both the "simulated MRI-based plans" and the original planning CT: D 95 , the dose delivered to 95% of the ITV & planning target volume (PTV), D 5 and V 5 , the volume of normal lung irradiated ≥5 Gy. The percent point difference and relative dose difference were used for comparison with the CT based plan for V 5 and D 95 respectively. A total of five plans per patient were generated; three with the ITV rED (rED ITV ) = 1.06, 1.0 and the mean value from the planning CT while the lung rED (rED lung ) was fixed at the ICRU value of 0.26 and two with rED lung = 0.1 and 0.5 while the rED ITV was fixed to the mean value from the planning CT. Noticeable differences in the ITV and PTV DVPs were observed. Variations of the normal lung V 5 can be as large as 9.6%. In some instances, varying the rED ITV between rED mean and 1.06 resulted in D 95 increases ranging from 3.9% to 6.3%. Bulk rED assignment on normal lung affected the DVPs of the ITV and PTV by 4.0-9.8% and 0.3-19.6% respectively. Dose volume histograms were presented for representative cases where the variations in the DVPs were found to be very large or very small. The commonly used bulk rED assignment in MRI-only based planning may not be appropriate for lung cancer. A voxel based method, e.g., synthetic CT generated from MRI data, is likely required for dosimetrically accurate MR-based planning for lung cancer. © 2017 American Association of Physicists in Medicine.

Calculated electronic, transport, and related properties of zinc blende boron arsenide (zb-BAs)

NASA Astrophysics Data System (ADS)

Nwigboji, Ifeanyi H.; Malozovsky, Yuriy; Franklin, Lashounda; Bagayoko, Diola

2016-10-01

We present the results from ab-initio, self-consistent density functional theory (DFT) calculations of electronic, transport, and bulk properties of zinc blende boron arsenide. We utilized the local density approximation potential of Ceperley and Alder, as parameterized by Vosko and his group, the linear combination of Gaussian orbitals formalism, and the Bagayoko, Zhao, and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF), in carrying out our completely self-consistent calculations. With this method, the results of our calculations have the full, physical content of density functional theory (DFT). Our results include electronic energy bands, densities of states, effective masses, and the bulk modulus. Our calculated, indirect band gap of 1.48 eV, from Γ to a conduction band minimum close to X, for the room temperature lattice constant of 4.777 Å, is in an excellent agreement with the experimental value of 1.46 ± 0.02 eV. We thoroughly explain the reasons for the excellent agreement between our findings and corresponding, experimental ones. This work provides a confirmation of the capability of DFT to describe accurately properties of materials, if the computations adhere strictly to the conditions of validity of DFT, as done by the BZW-EF method.

p-type doping efficiency in CdTe: Influence of second phase formation

NASA Astrophysics Data System (ADS)

McCoy, Jedidiah J.; Swain, Santosh K.; Sieber, John R.; Diercks, David R.; Gorman, Brian P.; Lynn, Kelvin G.

2018-04-01

Cadmium telluride (CdTe) high purity, bulk, crystal ingots doped with phosphorus were grown by the vertical Bridgman melt growth technique to understand and improve dopant solubility and activation. Large net carrier densities have been reproducibly obtained from as-grown ingots, indicating successful incorporation of dopants into the lattice. However, net carrier density values are orders of magnitude lower than the solubility of P in CdTe as reported in literature, 1018/cm3 to 1019/cm3 [J. H. Greenberg, J. Cryst. Growth 161, 1-11 (1996) and R. B. Hall and H. H. Woodbury, J. Appl. Phys. 39(12), 5361-5365 (1968)], despite comparable starting charge dopant densities. Growth conditions, such as melt stoichiometry and post growth cooling, are shown to have significant impacts on dopant solubility. This study demonstrates that a significant portion of the dopant becomes incorporated into second phase defects as compounds of cadmium and phosphorous, such as cadmium phosphide, which inhibits dopant incorporation into the lattice and limits maximum attainable net carrier density in bulk crystals. Here, we present an extensive study on the characteristics of these second phase defects in relation to their composition and formation kinetics while providing a pathway to minimize their formation and enhance solubility.

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.

Proceedings of the Second International Congress on Recent Developments in Air- and Structure-Borne Sound and Vibration (2nd) Held in Auburn University, Alabama on 4-6 March 1992. Volume 2

DTIC Science & Technology

1992-03-06

elastic data (uncorrected) on Lithium- Zinc and Lithium- Cadmium ferrites Ferrite Bulk X-ray Per- V Vs E n Composition density density cen- 0 3K -3 10 3 K...weight with increasing zinc and cadmium contents. In the case of Li-Cd ferrites, the values of VI/P , V s /P Vm and eD are also increases continuously...585 Wu Ounli, Nanyang Technololical University, Singapore RECIPROCITY METHOD FOR QUANTIFICATION OF AIRBORNE SOUND TRANSFER FROM MACHINERY

Structural and electronic properties of GaAs and GaP semiconductors

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

Rani, Anita; Kumar, Ranjan

2015-05-15

The Structural and Electronic properties of Zinc Blende phase of GaAs and GaP compounds are studied using self consistent SIESTA-code, pseudopotentials and Density Functional Theory (DFT) in Local Density Approximation (LDA). The Lattice Constant, Equillibrium Volume, Cohesive Energy per pair, Compressibility and Band Gap are calculated. The band gaps calcultated with DFT using LDA is smaller than the experimental values. The P-V data fitted to third order Birch Murnaghan equation of state provide the Bulk Modulus and its pressure derivatives. Our Structural and Electronic properties estimations are in agreement with available experimental and theoretical data.

Superconducting MgB2 films via precursor postprocessing approach

NASA Astrophysics Data System (ADS)

Paranthaman, M.; Cantoni, C.; Zhai, H. Y.; Christen, H. M.; Aytug, T.; Sathyamurthy, S.; Specht, E. D.; Thompson, J. R.; Lowndes, D. H.; Kerchner, H. R.; Christen, D. K.

2001-06-01

Superconducting MgB2 films with Tc=38.6 K were prepared using a precursor-deposition, ex situ postprocessing approach. Precursor films of boron, ˜0.5 μm thick, were deposited onto Al2O3 (102) substrates by electron-beam evaporation; a postanneal at 890 °C in the presence of bulk MgB2 and Mg metal produced highly crystalline MgB2 films. X-ray diffraction indicated that the films exhibit some degree of c-axis alignment, but are randomly oriented in plane. Transport current measurements of the superconducting properties show high values of the critical current density and yield an irreversibility line that exceeds that determined by magnetic measurements on bulk polycrystalline materials.

Rice production in relation to soil quality under different rice-based cropping systems

NASA Astrophysics Data System (ADS)

Tran Ba, Linh; Sleutel, Steven; Nguyen Van, Qui; Thi, Guong Vo; Le Van, Khoa; Cornelis, Wim

2016-04-01

Soil quality of shallow paddy soils may be improved by introducing upland crops and thus a more diverse crop cultivation pattern. Yet, the causal relationship between crop performance and enhanced soil traits in rice-upland crop rotations remains elusive. The objectives of this study were to (i) find correlations among soil properties under different rice-upland crop systems and link selected soil properties to rice growth and yield, (ii) present appropriate values of soil parameters for sustainable rice productivity in heavy clay soil, (iii) evaluate the effect of rotating rice with upland crops on rice yield and economic benefit in a long-term experiment. A rice-upland crop rotational field experiment in the Vietnamese Mekong delta was conducted for 10 years using a randomized complete block design with four treatments and four replications. Treatments were: (i) rice-rice-rice (control - conventional system as farmers' practice), (ii) rice-maize-rice, (iii) rice-mung bean-rice, and (iv) rice-mung bean-maize. Soil and plant sampling were performed after harvest of the rice crop at the end of the final winter-spring cropping season (i.e. year 10). Results show differences in rice growth and yield, and economic benefit as an effect of the crop rotation system. These differences were linked with changes in bulk density, soil porosity, soil aggregate stability index, soil penetration resistance, soil macro-porosity, soil organic carbon, acid hydrolysable soil C and soil nutrient elements, especially at soil depth of 20-30 cm. This is evidenced by the strong correlation (P < 0.01) between rice plant parameters, rice yield and soil properties such as bulk density, porosity, penetration resistance, soil organic carbon and Chydrolysable. It turned out that good rice root growth and rice yield corresponded to bulk density values lower than 1.3 Mg m-3, soil porosity higher than 50%, penetration resistance below 1.0 MPa, and soil organic carbon above 25 g kg-1. The optimal soil depth without restriction for rice root elongation was at least 25 cm from the soil surface. We suggest these values as indicative for optimal physical soil quality when growing rice in fine-textured alluvial soils and their definition as a first step towards presenting real threshold values.

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

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

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

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.

Properties of medium-density fiberboard related to hardwood specific gravity

Treesearch

George E. Woodson

1976-01-01

Boards of acceptable quality were made from barky material, pressure-refined from 14 species of southern hardwoods. Static bending and tensile properties (parallel to surface) of specimens were negatively correlated to stem specific gravity (wood plus bark), chip bulk density, and fiber bulk density. Bending and tensile properties increased with increasing...

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...

Effect of silane dilution on intrinsic stress in glow discharge hydrogenated amorphous silicon films

NASA Astrophysics Data System (ADS)

Harbison, J. P.; Williams, A. J.; Lang, D. V.

1984-02-01

Measurements of the intrinsic stress in hydrogenated amorphous silicon (a-Si : H) films grown by rf glow discharge decomposition of silane diluted to varying degrees in argon are presented. Films are found to grow under exceedingly high compressive stress. Low values of macroscopic film density and low stress values are found to correlate with high growth rate. An abrupt drop in stress occurs between 2 and 3% silane at precisely the point where columnar growth morphology appears. No corresponding abrupt change is noted in density, growth rate, or plasma species concentrations as determined by optical emissioin spectroscopy. Finally a model of diffusive incorporation of hydrogen or some gaseous impurity during growth into the bulk of the film behind the growing interface is proposed to explain the results.

Hydrodynamic correlation functions of hard-sphere fluids at short times

NASA Astrophysics Data System (ADS)

Leegwater, Jan A.; van Beijeren, Henk

1989-11-01

The short-time behavior of the coherent intermediate scattering function for a fluid of hard-sphere particles is calculated exactly through order t 4, and the other hydrodynamic correlation functions are calculated exactly through order t 2. It is shown that for all of the correlation functions considered the Enskog theory gives a fair approximation. Also, the initial time behavior of various Green-Kubo integrands is studied. For the shear-viscosity integrand it is found that at density nσ3=0.837 the prediction of the Enskog theory is 32% too low. The initial value of the bulk viscosity integrand is nonzero, in contrast to the Enskog result. The initial value of the thermal conductivity integrand at high densities is predicted well by Enskog theory.

Observed bulk properties of the Mars moon Phobos

NASA Astrophysics Data System (ADS)

Pätzold, M.; Andert, T. P.; Jacobson, R.; Rosenblatt, P.; Dehant, V.

2013-09-01

The mass of the Mars moon Phobos has been determined by spacecraft close flybys, by solving for the Martian gravity field and by the analysis of secular orbit perturbations. The absolute value and accuracy is sensitive on the actuality of the Phobos ephemeris, the accuracy of the spacecraft orbit, other perturbing forces acting on the spacecraft and the resolution of the Martian gravity field besides the measurement accuracy of the radio tracking data. The mass value and its error improved from spacecraft mission to mission or from the modern analysis of "old" tracking data but none of these values can claim to be the final truth. The mass value seems to settle within the range of GMPh = (7.11 +/- 0.09)·10-4 km3s-2 (3s) which covers almost all mass values from close flybys and "distant" encounters. Using the volume value determined from MEX HRSC imaging, the bulk density is (1873 +/- 31) kg/m3, a low value which suggests that Phobos is either highly porous, is composed partially of light material or both. In view of theories of the Phobos' origin, one possibility is that Phobos is not a captured asteroid but accreted from a debris disk in Mars orbit as a second generation solar system object.

Structural, electronic, and elastic properties of CuFeS2: first-principles study

NASA Astrophysics Data System (ADS)

Zhou, Meng; Gao, Xiang; Cheng, Yan; Chen, Xiangrong; Cai, Lingcang

2015-03-01

The structural, electronic, and elastic properties of CuFeS2 have been investigated by using the generalized gradient approximation (GGA), GGA + U (on-site Coulomb repulsion energy), the local density approximation (LDA), and the LDA + U approach in the frame of density functional theory. It is shown that when the GGA + U formalism is selected with a U value of 3 eV for the 3d state of Fe, the calculated lattice constants agree well with the available experimental and other theoretical data. Our GGA + U calculations indicate that CuFeS2 is a semiconductor with a band gap of 0.552 eV and with a magnetic moment of 3.64 µB per Fe atom, which are well consistent with the experimental results. Combined with the density of states, the band structure characteristics of CuFeS2 have been analyzed and their origins have been specified, which reveals a hybridization existing between Fe-3d, Cu-3s, and S-3p, respectively. The charge and Mulliken population analyses indicate that CuFeS2 is a covalent crystal. Moreover, the calculated elastic constants prove that CuFeS2 is mechanically stable but anisotropic. The bulk modulus obtained from elastic constants is 87.1 GPa, which agrees well with the experimental value of 91 ± 15 GPa and better than the theoretical bulk modulus 74 GPa obtained from GGA method by Lazewski et al. The obtained shear modulus and Debye temperature are 21.0 GPa and 287 K, respectively, and the latter accords well with the available experimental value. It is expected that our work can provide useful information to further investigate CuFeS2 from both the experimental and theoretical sides.

Persisting effects of armored military maneuvers on some soils of the Mojave Desert

USGS Publications Warehouse

Prose, D.V.

1985-01-01

Soil compaction and substrate modification produced during large-scale armored military maneuvers in the early 1940s were examined in 1981 at seven sites in California's eastern Mojave Desert Recording penetrometer measurements show that tracks left by a single pass of an M3 "medium" tank have average soil resistance values that are 50% greater than those of the surrounding untracked soil in the upper 20 cm At one site, measurements made along short segments of track that have been visually eliminated by erosion and deposition processes show a 73% increase in penetrometer resistance over adjacent, undisturbed soils Dirt roadways at three former base camp locations could not be penetrated below 5-10 cm because of extreme compaction Soil bulk density was not as sensitive an indicator of soil compaction as was penetrometer resistance Density values in the upper 10 cm of soil are not significantly different between tank tracks and undisturbed soils at most sites, and roadways at two base camps show an average increase in bulk density of only 12% over adjacent soils. Trench excavations across tank tracks show that physical modifications of the substrate can extend vertically beneath a track to a depth of 25 cm and outward from a track's edge to 50 cm These soil disturbances are probably major factors that encourage accelerated soil erosion throughout the manuever area and also retard or prevent the return of vegetation to pre-disturbance conditions ?? 1985 Springer-Verlag New York Inc.

A Factorial Design Approach to Analyse the Effect of Coarse Recycled Concrete Aggregates on the Properties of Hot Mix Asphalt

NASA Astrophysics Data System (ADS)

Tanty, Kiranbala; Mukharjee, Bibhuti Bhusan; Das, Sudhanshu Shekhar

2018-06-01

The present study investigates the effect of replacement of coarse fraction of natural aggregates by recycled concrete aggregates on the properties of hot mix asphalt (HMA) using general factorial design approach. For this two factors i.e. recycled coarse aggregates percentage [RCA (%)] and bitumen content percentage [BC (%)] are considered. Tests have been carried out on the HMA type bituminous concrete, prepared with varying RCA (%) and BC (%). Analysis of variance has been performed on the experimental data to determine the effect of the chosen factors on various parameters such as stability, flow, air void, void mineral aggregate, void filled with bitumen and bulk density. The study depicts that RCA (%) and BC (%) have significant effect on the selected responses as p value is less than the chosen significance level. In addition to above, the outcomes of the statistical analysis indicate that interaction between factors have significant effects on void mineral aggregate and bulk density of bituminous concrete.

A Factorial Design Approach to Analyse the Effect of Coarse Recycled Concrete Aggregates on the Properties of Hot Mix Asphalt

NASA Astrophysics Data System (ADS)

Tanty, Kiranbala; Mukharjee, Bibhuti Bhusan; Das, Sudhanshu Shekhar

2018-02-01

The present study investigates the effect of replacement of coarse fraction of natural aggregates by recycled concrete aggregates on the properties of hot mix asphalt (HMA) using general factorial design approach. For this two factors i.e. recycled coarse aggregates percentage [RCA (%)] and bitumen content percentage [BC (%)] are considered. Tests have been carried out on the HMA type bituminous concrete, prepared with varying RCA (%) and BC (%). Analysis of variance has been performed on the experimental data to determine the effect of the chosen factors on various parameters such as stability, flow, air void, void mineral aggregate, void filled with bitumen and bulk density. The study depicts that RCA (%) and BC (%) have significant effect on the selected responses as p value is less than the chosen significance level. In addition to above, the outcomes of the statistical analysis indicate that interaction between factors have significant effects on void mineral aggregate and bulk density of bituminous concrete.

Excitation-dependent carrier lifetime and diffusion length in bulk CdTe determined by time-resolved optical pump-probe techniques

NASA Astrophysics Data System (ADS)

Ščajev, Patrik; Miasojedovas, Saulius; Mekys, Algirdas; Kuciauskas, Darius; Lynn, Kelvin G.; Swain, Santosh K.; JarašiÅ«nas, Kestutis

2018-01-01

We applied time-resolved pump-probe spectroscopy based on free carrier absorption and light diffraction on a transient grating for direct measurements of the carrier lifetime and diffusion coefficient D in high-resistivity single crystal CdTe (codoped with In and Er). The bulk carrier lifetime τ decreased from 670 ± 50 ns to 60 ± 10 ns with increase of excess carrier density N from 1016 to 5 × 1018 cm-3 due to the excitation-dependent radiative recombination rate. In this N range, the carrier diffusion length dropped from 14 μm to 6 μm due to lifetime decrease. Modeling of in-depth (axial) and in-plane (lateral) carrier diffusion provided the value of surface recombination velocity S = 6 × 105 cm/s for the untreated surface. At even higher excitations, in the 1019-3 × 1020 cm-3 density range, D increase from 5 to 20 cm2/s due to carrier degeneracy was observed.

Vibrational and thermodynamic properties of β-HMX: a first-principles investigation.

PubMed

Wu, Zhongqing; Kalia, Rajiv K; Nakano, Aiichiro; Vashishta, Priya

2011-05-28

Thermodynamic properties of β-HMX crystal are investigated using the quasi-harmonic approximation and density functional theory within the local density approximation (LDA), generalized gradient approximation (GGA), and GGA + empirical van der Waals (vdW) correction. It is found that GGA well describes the thermal expansion coefficient and heat capacity but fails to produce correct bulk modulus and equilibrium volume. The vdW correction improves the bulk modulus and volume, but worsens the thermal expansion coefficient and heat capacity. In contrast, LDA describes all thermodynamic properties with reasonable accuracy, and overall is a good exchange-correlation functional for β-HMX molecular crystal. The results also demonstrate significant contributions of phonons to the equation of state. The static calculation of equilibrium volume for β-HMX differs from the room-temperature value incorporating lattice vibrations by over 5%. Therefore, for molecular crystals, it is essential to include phonon contributions when calculated equation of state is compared with experimental data at ambient condition. © 2011 American Institute of Physics

[Heidaigou Opencast Coal Mine: Soil Enzyme Activities and Soil Physical and Chemical Properties Under Different Vegetation Restoration].

PubMed

Fang, Ying; Ma, Ren-tian; An, Shao-shan; Zhao, Jun-feng; Xiao, Li

2016-03-15

Choosing the soils under different vegetation recovery of Heidaigou dump as the research objects, we mainly analyzed their basic physical and chemical properties and enzyme activities with the method of Analysis of Variance as well as their relations using Pearson correlation analysis and path analysis hoping to uncover the driving factors of the differences between soil enzyme activities under different vegetation restoration, and provide scientific suggestions for the plant selection as well as make a better evaluation to the reclamation effect. The results showed that: (1) Although the artificial vegetation restoration improved the basic physical and chemical properties of the soils while increasing their enzyme activities to a certain extent, the soil conditions still did not reach the level of the natural grassland; (2) Contents of soil organic carbon (SOC) and soil total nitrogen (TN) of the seabuckthorns were the nearest to those of the grassland, which reached 54. 22% and 70. 00% of those of the grassland. In addition, the soil bulk density of the seabuckthorns stand was 17. 09% lower than the maximum value of the amorpha fruitcosa land. The SOC and TN contents as well as the bulk density showed that seabuckthorns had advantages as the species for land reclamation of this dump; Compared with the seabuckthorn, the pure poplar forest had lower contents of SOC and TN respectively by 35.64% and 32.14% and displayed a 16.79% higher value of soil bulk density; (3) The activities of alkaline phosphotase under different types of vegetation rehabilitation had little variation. But soil urease activities was more sensitive to reflect the effects of vegetation restoration on soil properties; (4) Elevation of the SOC and TN turned out to be the main cause for soil fertility restoration and increased biological activities of the dump.

Patterns of water infiltration and soil degradation over a 120-yr chronosequence from forest to agriculture in western Kenya

NASA Astrophysics Data System (ADS)

Nyberg, G.; Bargués Tobella, A.; Kinyangi, J.; Ilstedt, U.

2011-07-01

Soil degradation is commonly reported in the tropics where forest is converted to agriculture. Much of the native forest in the highlands of western Kenya has been converted to agricultural land in order to feed the growing population, and more land is being cleared. In tropical Africa, this land use change results in progressive soil degradation, as the period of cultivation increases. Sites that were converted to agriculture at different times can be evaluated as a chronosequence; this can aid in our understanding of the processes at work, particularly those in the soil. Both levels and variation of infiltration, soil carbon and other parameters are influenced by management within agricultural systems, but they have rarely been well documented in East Africa. We constructed a chronosequence for an area of western Kenya, using two native forest sites and six fields that had been converted to agriculture for varying lengths of time. We assessed changes in infiltrability (the steady-state infiltration rate), soil C and N, bulk density, δ13C, and the proportion of macro- and microaggregates in soil along a 119 yr chronosequence of conversion from natural forest to agriculture. Infiltration, soil C and N, decreased rapidly after conversion, while bulk density increased. Median infiltration rates fell to about 15 % of the initial values in the forest and C and N values dropped to around 60 %, whilst the bulk density increased by 50 %. Despite high spatial variability in infiltrability, these parameters correlated well with time since conversion and with each other. Our results indicate that landscape planners should include wooded elements in the landscape in sufficient quantity to ensure water infiltration at rates that prevent runoff and erosion. This should be the case for restoring degraded landscapes, as well as for the development of new agricultural areas.

Kinetics of swelling of polyelectrolyte gels: Fixed degree of ionization

NASA Astrophysics Data System (ADS)

Sen, Swati; Kundagrami, Arindam

2015-12-01

The swelling kinetics of uncharged and charged polymer (polyelectrolyte) gels in salt-free conditions is studied in one dimension by solving the constitutive equation of motion (Newton's law for the elementary gel volume) of the displacement variable by two theoretical methods: one in which the classical definition of stress is used with the bulk modulus taken as a parameter, and the other in which a phenomenological expression of the osmotic stress as a function of polymer density and degree of ionization is taken as an input to the dynamics. The time-evolution profiles for spatially varying polymer density and stress, along with the location of the gel-solvent interface, are obtained from the two methods. We show that both the polymer density (volume fraction) and stress inside the gel follow expected behaviours of being maximum for the uniformly shrunken gel, and relaxing slowly to the lowest values as the gel approaches equilibrium. We further show that, by comparing the temporal profiles of the gel-solvent interface and other variables between the two methods, one may attempt to assign an effective bulk modulus to the polyelectrolyte gel as a function of the degree of ionization and other parameters of the gel such as hydrophobicity, cross-link density, and the temperature. The major result we get is that the effective bulk modulus of a polyelectrolyte gel increases monotonically with its degree of ionization. In the process of identifying the parameters for a monotonic swelling, we calculated using a well-known expression of the free energy the equilibrium results of two-phase co-existence and the critical point of a polyelectrolyte gel with a fixed degree of ionization.

Effect of process variables on the density and durability of the pellets made from high moisture corn stover

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

Jaya Shankar Tumuluru

2014-03-01

A flat die pellet mill was used to understand the effect of high levels of feedstock moisture content in the range of 28–38% (w.b.), with die rotational speeds of 40–60 Hz, and preheating temperatures of 30–110 °C on the pelleting characteristics of 4.8 mm screen size ground corn stover using an 8 mm pellet die. The physical properties of the pelletised biomass studied are: (a) pellet moisture content, (b) unit, bulk and tapped density, and (c) durability. Pelletisation experiments were conducted based on central composite design. Analysis of variance (ANOVA) indicated that feedstock moisture content influenced all of the physicalmore » properties at P < 0.001. Pellet moisture content decreased with increase in preheating temperature to about 110 °C and decreasing the feedstock moisture content to about 28% (w.b.). Response surface models developed for quality attributes with respect to process variables has adequately described the process with coefficient of determination (R2) values of >0.88. The other pellet quality attributes such as unit, bulk, tapped density, were maximised at feedstock moisture content of 30–33% (w.b.), die speeds of >50 Hz and preheating temperature of >90 °C. In case of durability a medium moisture content of 33–34% (w.b.) and preheating temperatures of >70 °C and higher die speeds >50 Hz resulted in high durable pellets. It can be concluded from the present study that feedstock moisture content, followed by preheating, and die rotational speed are the interacting process variables influencing pellet moisture content, unit, bulk and tapped density and durability.« less

Kinetics of swelling of polyelectrolyte gels: Fixed degree of ionization.

PubMed

Sen, Swati; Kundagrami, Arindam

2015-12-14

The swelling kinetics of uncharged and charged polymer (polyelectrolyte) gels in salt-free conditions is studied in one dimension by solving the constitutive equation of motion (Newton's law for the elementary gel volume) of the displacement variable by two theoretical methods: one in which the classical definition of stress is used with the bulk modulus taken as a parameter, and the other in which a phenomenological expression of the osmotic stress as a function of polymer density and degree of ionization is taken as an input to the dynamics. The time-evolution profiles for spatially varying polymer density and stress, along with the location of the gel-solvent interface, are obtained from the two methods. We show that both the polymer density (volume fraction) and stress inside the gel follow expected behaviours of being maximum for the uniformly shrunken gel, and relaxing slowly to the lowest values as the gel approaches equilibrium. We further show that, by comparing the temporal profiles of the gel-solvent interface and other variables between the two methods, one may attempt to assign an effective bulk modulus to the polyelectrolyte gel as a function of the degree of ionization and other parameters of the gel such as hydrophobicity, cross-link density, and the temperature. The major result we get is that the effective bulk modulus of a polyelectrolyte gel increases monotonically with its degree of ionization. In the process of identifying the parameters for a monotonic swelling, we calculated using a well-known expression of the free energy the equilibrium results of two-phase co-existence and the critical point of a polyelectrolyte gel with a fixed degree of ionization.

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.

Primordial nucleosynthesis

PubMed Central

Schramm, David N.

1998-01-01

With the advent of the new extragalactic deuterium observations, Big Bang nucleosynthesis (BBN) is on the verge of undergoing a transformation. In the past, the emphasis has been on demonstrating the concordance of the BBN model with the abundances of the light isotopes extrapolated back to their primordial values by using stellar and galactic evolution theories. As a direct measure of primordial deuterium is converged upon, the nature of the field will shift to using the much more precise primordial D/H to constrain the more flexible stellar and galactic evolution models (although the question of potential systematic error in 4He abundance determinations remains open). The remarkable success of the theory to date in establishing the concordance has led to the very robust conclusion of BBN regarding the baryon density. This robustness remains even through major model variations such as an assumed first-order quark-hadron phase transition. The BBN constraints on the cosmological baryon density are reviewed and demonstrate that the bulk of the baryons are dark and also that the bulk of the matter in the universe is nonbaryonic. Comparison of baryonic density arguments from Lyman-α clouds, x-ray gas in clusters, and the microwave anisotropy are made. PMID:9419322

Primordial nucleosynthesis.

PubMed

Schramm, D N

1998-01-06

With the advent of the new extragalactic deuterium observations, Big Bang nucleosynthesis (BBN) is on the verge of undergoing a transformation. In the past, the emphasis has been on demonstrating the concordance of the BBN model with the abundances of the light isotopes extrapolated back to their primordial values by using stellar and galactic evolution theories. As a direct measure of primordial deuterium is converged upon, the nature of the field will shift to using the much more precise primordial D/H to constrain the more flexible stellar and galactic evolution models (although the question of potential systematic error in 4He abundance determinations remains open). The remarkable success of the theory to date in establishing the concordance has led to the very robust conclusion of BBN regarding the baryon density. This robustness remains even through major model variations such as an assumed first-order quark-hadron phase transition. The BBN constraints on the cosmological baryon density are reviewed and demonstrate that the bulk of the baryons are dark and also that the bulk of the matter in the universe is nonbaryonic. Comparison of baryonic density arguments from Lyman-alpha clouds, x-ray gas in clusters, and the microwave anisotropy are made.

Deterioration of soil quality and pasture production linked to overgrazing in rangelands of Extremadura (SW Spain)

NASA Astrophysics Data System (ADS)

Pulido-Fernández, Manuel; Schnabel, Susanne; Francisco Lavado Contador, Joaquín; Lozano-Parra, Javier; González López, Francisco

2015-04-01

Soil degradation phenomena include water erosion and physical and biological processes have been already reported in rangelands of southwestern Spain. The increasing of the number of domestic animals since 1986 has been highlighted as one of the key causes. The main goal of this work is to analyze the effects of the excessive number of animals on soil quality and pasture production in privately-owned farms dedicated to extensive ranching. Soil properties, soil surface cover, erosion features, pasture production and composition, rainfall and land management variables such as livestock density were analyzed during a period of 3 years (2008-2011). The study was carried out in 22 fenced units belonging to 10 farms distributed throughout the Spanish region of Extremadura. The occurrence of bare soil patches, and consequently water erosion processes, as well as an increasing in the mean values of bulk density from 5 to 10 cm in depth were observed in the fenced units with animal stocking rates exceeding 1 AU ha-1 (AU: animal cattle equivalent unit). Some indications which may serve to confirm the negative effect of increased bulk density on pasture production and quality were also found.

Thermal conductivity of bulk and thin film β-Ga2O3 measured by the 3ω technique

NASA Astrophysics Data System (ADS)

Blumenschein, N.; Slomski, M.; Paskov, P. P.; Kaess, F.; Breckenridge, M. H.; Muth, J. F.; Paskova, T.

2018-02-01

Thermal conductivity of undoped and Sn-doped β-Ga2O3 bulk and single-crystalline thin films have been measured by the 3ω technique. The bulk samples were grown by edge-defined film-field growth (EFG) method, while the thin films were grown on c-plane sapphire by pulsed-laser deposition (PLD). All samples were with (-201) surface orientation. Thermal conductivity of bulk samples was calculated along the in-plane and cross-plane crystallographic directions, yielding a maximum value of 29 W/m-K in the [010] direction at room temperature. A slight thermal conductivity decrease was observed in the Sn-doped bulk samples, which was attributed to enhanced phonon-impurity scattering. The differential 3ω method was used for β-Ga2O3 thin film samples due to the small film thickness. Results show that both undoped and Sndoped films have a much lower thermal conductivity than that of the bulk samples, which is consistent with previous reports in the literature showing a linear relationship between thermal conductivity and film thickness. Similarly to bulk samples, Sn-doped thin films have exhibited a thermal conductivity decrease. However, this decrease was found to be much greater in thin film samples, and increased with Sn doping concentration. A correlation between thermal conductivity and defect/dislocation density was made for the undoped thin films.

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.

Chondritic models of 4 Vesta: Implications for geochemical and geophysical properties

NASA Astrophysics Data System (ADS)

Toplis, M. J.; Mizzon, H.; Monnereau, M.; Forni, O.; McSween, H. Y.; Mittlefehldt, D. W.; McCoy, T. J.; Prettyman, T. H.; De Sanctis, M. C.; Raymond, C. A.; Russell, C. T.

2013-11-01

Simple mass-balance and thermodynamic constraints are used to illustrate the potential geochemical and geophysical diversity of a fully differentiated Vesta-sized parent body with a eucrite crust (e.g., core size and density, crustal thickness). The results of this analysis are then combined with data from the howardite-eucrite-diogenite (HED) meteorites and the Dawn mission to constrain Vesta's bulk composition. Twelve chondritic compositions are considered, comprising seven carbonaceous, three ordinary, and two enstatite chondrite groups. Our analysis excludes CI and LL compositions as plausible Vesta analogs, as these are predicted to have a negative metal fraction. Second, the MELTS thermodynamic calculator is used to show that the enstatite chondrites, the CV, CK and L-groups cannot produce Juvinas-like liquids, and that even for the other groups, depletion in sodium is necessary to produce liquids of appropriate silica content. This conclusion is consistent with the documented volatile-poor nature of eucrites. Furthermore, carbonaceous chondrites are predicted to have a mantle too rich in olivine to produce typical howardites and to have Fe/Mn ratios generally well in excess of those of the HEDs. On the other hand, an Na-depleted H-chondrite bulk composition is capable of producing Juvinas-like liquids, has a mantle rich enough in pyroxene to produce abundant howardite/diogenite, and has a Fe/Mn ratio compatible with eucrites. In addition, its predicted bulk-silicate density is within 100 kg m-3 of solutions constrained by data of the Dawn mission. However, oxidation state and oxygen isotopes are not perfectly reproduced and it is deduced that bulk Vesta may contain approximately 25% of a CM-like component. Values for the bulk-silicate composition of Vesta and a preliminary phase diagram are proposed.

Stress analysis in high-temperature superconductors under pulsed field magnetization

NASA Astrophysics Data System (ADS)

Wu, Haowei; Yong, Huadong; Zhou, Youhe

2018-04-01

Bulk high-temperature superconductors (HTSs) have a high critical current density and can trap a large magnetic field. When bulk superconductors are magnetized by the pulsed field magnetization (PFM) technique, they are also subjected to a large electromagnetic stress, and the resulting thermal stress may cause cracking of the superconductor due to the brittle nature of the sample. In this paper, based on the H-formulation and the law of heat transfer, we can obtain the distributions of electromagnetic field and temperature, which are in qualitative agreement with experiment. After that, based on the dynamic equilibrium equations, the mechanical response of the bulk superconductor is determined. During the PFM process, the change in temperature has a dramatic effect on the radial and hoop stresses, and the maximum radial and hoop stress are 24.2 {{MPa}} and 22.6 {{MPa}}, respectively. The mechanical responses of a superconductor for different cases are also studied, such as the peak value of the applied field and the size of bulk superconductors. Finally, the stresses are also presented for different magnetization methods.

Theoretical study on the spectroscopic properties of CO3(*-).nH2O clusters: extrapolation to bulk.

PubMed

Pathak, Arup K; Mukherjee, Tulsi; Maity, Dilip K

2008-10-24

Vertical detachment energies (VDE) and UV/Vis absorption spectra of hydrated carbonate radical anion clusters, CO(3)(*-).nH(2)O (n=1-8), are determined by means of ab initio electronic structure theory. The VDE values of the hydrated clusters are calculated with second-order Moller-Plesset perturbation (MP2) and coupled cluster theory using the 6-311++G(d,p) set of basis functions. The bulk VDE value of an aqueous carbonate radical anion solution is predicted to be 10.6 eV from the calculated weighted average VDE values of the CO(3)(*-).nH(2)O clusters. UV/Vis absorption spectra of the hydrated clusters are calculated by means of time-dependent density functional theory using the Becke three-parameter nonlocal exchange and the Lee-Yang-Parr nonlocal correlation functional (B3LYP). The simulated UV/Vis spectrum of the CO(3)(*-).8H(2)O cluster is in excellent agreement with the reported experimental spectrum for CO(3)(*-) (aq), obtained based on pulse radiolysis experiments.

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...

Nano-indentation investigations of (As2Se3)1-x: Snx and (As4S3Se3)1-x: Snx glasses

NASA Astrophysics Data System (ADS)

Harea, D. V.; Harea, E. E.; Iaseniuc, O. V.; Iovu, M. S.

2015-02-01

Experimental results on some physical and optical properties of (As2Se3)1-x:Snx and (As4S3Se3)1-x:Snx (x = 0-10 at %) glasses and amorphous films (d~2.0 μm) are presented. The bulk chalcogenide glasses are studied by X-ray diffraction spectroscopy and nanoindentation methods. It is established that the addition of these amounts of tin (x = 0-10 at %) does not lead to significant changes in the physical properties of the glass, such as values of stress and Young's modulus related to the modification of the density and compactness. It has been found that the addition of these amounts of tin in (As4S3Se3)1-x:Snx does not lead to significant changes in the glass physical properties, such as values of stress and Young's modulus related to the modification of the density and compactness. The study of the photoplastic effect is performed in situ, with illumination of the bulk and thin film samples during indentation as well as their indentation after illumination with a green laser (λ = 532 nm) at a power of P = 50 mV/cm2. The hardness is calculated from load-displacement curves by the Oliver-Pharr method. A sharp increase in hardness is registered if the tin concentration exceeds a value of 34% Sn. The hardness H of (As2Se3)1-x:Snx films varies between 115 and 130 kg/mm2. It is found that the hardness H of amorphous thin films is generally higher than the hardness of bulk samples with the same chemical composition. In this study, we are focused on the mechanical characteristics of high-purity As2Se3: Snx thin films. Keyword: Chalcogenide glasses, hardness,

Challenging the Standard Model: Equation of State of Natural Peridotite at Lower-Mantle Conditions

NASA Astrophysics Data System (ADS)

Jeanloz, R.; Lee, K. K.; Shim, S.

2002-12-01

High-resolution x-ray diffraction of natural peridotite, before and after (subsolidus) laser heating at pressures as high as 107 GPa, yields results challenging the paradigm that the Earth's mantle is a homogeneously mixed layer having the bulk composition of pyrolite. The starting material for the experiments is representative of fertile upper mantle, and is indistinguishable from Ringwood's pyrolite compositions. It transforms to an assemblage of 76 (2)% (Mg0.88Fe0.06Al0.12Si0.94)O3 orthorhombic perovskite (opv) by volume at zero pressure, 17 (2)% (Mg0.80Fe0.20)O magnesiow\\x81stite (mw) and 7 (1)% CaSiO3 perovskite (cpv), and room-temperature isotherms for each phase within the assemblage are in good agreement with past results on the individual mineral phases. Different measurement techniques yield reproducible results, with the observed scatter being well explained by the (small) compositional variations within the mineral phases of the natural starting material. We find values of the opv/mw Fe/Mg partition coefficient consistent with prior results, 0.20 (0.10) with no evidence of any pressure dependence, and recent work on CaSiO3 perovskite shows that its structure exhibits slight tetragonal distortion at lower-mantle pressures. The thermal equation of state of the high-pressure assemblage, described in terms of the Debye temperature, Gruneisen parameter and its volume dependence, is well determined if past measurements at high pressures and temperatures are reanalysed in terms of internally-consistent calibration standards. In particular, one model for the thermal equation of state of gold that has been used to calibrate several key experiments is faulty and yields biased results. Our re-analysis shows that all experiments point to relatively high values for the thermal expansion of opv (hence of the entire high-pressure assemblage), compatible with earlier rather than more recent analyses. The resulting high-pressure, high-temperature bulk modulus of the high-pressure assemblage is constrained to about 5% at lower-mantle conditions, and is expected to be relatively insensitive to Fe abundance. Minimum temperatures of about 2000 K at 700 km depth rising to about 3000 K at 2500 km depth are required for the bulk modulus of the high-pressure assemblage to match the seismologically observed bulk modulus of the lower mantle. These values of temperature are in good accord with current estimates. The density of the pyrolite-composition high-pressure assemblage is then found to be at least 2 (1)%, (and plausibly 4 (2)%) lower than the seismologically determined density at corresponding depths. The density mismatch is partly attributable to the effect of Al on the volume of opv, as also found by others. Uncertainties in the measurements and analysis appear to be well constrained, and rule out pyrolite as a viable bulk composition for the preponderance of the mantle.

The elemental abundances (with uncertainties) of the most Earth-like planet

NASA Astrophysics Data System (ADS)

Wang, Haiyang S.; Lineweaver, Charles H.; Ireland, Trevor R.

2018-01-01

To first order, the Earth as well as other rocky planets in the Solar System and rocky exoplanets orbiting other stars, are refractory pieces of the stellar nebula out of which they formed. To estimate the chemical composition of rocky exoplanets based on their stellar hosts' elemental abundances, we need a better understanding of the devolatilization that produced the Earth. To quantify the chemical relationships between the Earth, the Sun and other bodies in the Solar System, the elemental abundances of the bulk Earth are required. The key to comparing Earth's composition with those of other objects is to have a determination of the bulk composition with an appropriate estimate of uncertainties. Here we present concordance estimates (with uncertainties) of the elemental abundances of the bulk Earth, which can be used in such studies. First we compile, combine and renormalize a large set of heterogeneous literature values of the primitive mantle (PM) and of the core. We then integrate standard radial density profiles of the Earth and renormalize them to the current best estimate for the mass of the Earth. Using estimates of the uncertainties in i) the density profiles, ii) the core-mantle boundary and iii) the inner core boundary, we employ standard error propagation to obtain a core mass fraction of 32.5 ± 0.3 wt%. Our bulk Earth abundances are the weighted sum of our concordance core abundances and concordance PM abundances. Unlike previous efforts, the uncertainty on the core mass fraction is propagated to the uncertainties on the bulk Earth elemental abundances. Our concordance estimates for the abundances of Mg, Sn, Br, B, Cd and Be are significantly lower than previous estimates of the bulk Earth. Our concordance estimates for the abundances of Na, K, Cl, Zn, Sr, F, Ga, Rb, Nb, Gd, Ta, He, Ar, and Kr are significantly higher. The uncertainties on our elemental abundances usefully calibrate the unresolved discrepancies between standard Earth models under various geochemical and geophysical assumptions.

Forced reptation revealed by chain pull-out simulations.

PubMed

Bulacu, Monica; van der Giessen, Erik

2009-08-14

We report computation results obtained from extensive molecular dynamics simulations of tensile disentanglement of connector chains placed at the interface between two polymer bulks. Each polymer chain (either belonging to the bulks or being a connector) is treated as a sequence of beads interconnected by springs, using a coarse-grained representation based on the Kremer-Grest model, extended to account for stiffness along the chain backbone. Forced reptation of the connectors was observed during their disentanglement from the bulk chains. The extracted chains are clearly seen following an imaginary "tube" inside the bulks as they are pulled out. The entropic and energetic responses to the external deformation are investigated by monitoring the connector conformation tensor and the modifications of the internal parameters (bonds, bending, and torsion angles along the connectors). The work needed to separate the two bulks is computed from the tensile force induced during debonding in the connector chains. The value of the work reached at total separation is considered as the debonding energy G. The most important parameters controlling G are the length (n) of the chains placed at the interface and their areal density. Our in silico experiments are performed at relatively low areal density and are disregarded if chain scission occurs during disentanglement. As predicted by the reptation theory, for this pure pull-out regime, the power exponent from the scaling G proportional, variant n(a) is a approximately 2, irrespective of chain stiffness. Small variations are found when the connectors form different number of stitches at the interface, or when their length is randomly distributed in between the two bulks. Our results show that the effects of the number of stitches and of the randomness of the block lengths have to be considered together, especially when comparing with experiments where they cannot be controlled rigorously. These results may be significant for industrial applications, such reinforcement of polymer-polymer adhesion by connector chains, when incorporated as constitutive laws at higher time/length scales in finite element calculations.

Equilibrium nuclear ensembles taking into account vaporization of hot nuclei in dense stellar matter

NASA Astrophysics Data System (ADS)

Furusawa, Shun; Mishustin, Igor

2018-02-01

We investigate the high-temperature effect on the nuclear matter that consists of mixture of nucleons and all nuclei in the dense and hot stellar environment. The individual nuclei are described within the compressible-liquid-drop model that is based on Skyrme interactions for bulk energies and that takes into account modifications of the surface and Coulomb energies at finite temperatures and densities. The free-energy density is minimized with respect to the individual equilibrium densities of all heavy nuclei and the nuclear composition. We find that their optimized equilibrium densities become smaller and smaller at high temperatures because of the increase in thermal contributions to bulk free energies and the reduction of surface energies. The neutron-rich nuclei become unstable and disappear one after another at given temperatures. The calculations are performed for two sets of model parameters leading to different values of the slope parameter in the nuclear-symmetry energy. It is found that the larger slope parameter reduces the equilibrium densities and the melting temperatures. We also compare the proposed model with some other approaches and find that the mass fractions of heavy nuclei in the previous calculations that omit vaporization are underestimated at T ≲10 MeV and overestimated at T ≳10 MeV. The further sophistication of calculations of nuclear vaporization and of light clusters would be required to construct the equation of state for explosive astrophysical phenomena.

Diamond-like phases formed from fullerene-like clusters

NASA Astrophysics Data System (ADS)

Belenkov, E. A.; Greshnyakov, V. A.

2015-11-01

The geometrically optimized structure and properties of thirteen diamond-like carbon phases formed by linking or combining fullerene-like clusters (C4, C6, C8, C12, C16, C24, or C48) have been investigated. Atoms in the structures of these phases are located in crystallographically equivalent positions. The calculations have been performed using the density functional theory in the generalized gradient approximation. The calculated values of the structural characteristics and properties (sublimation energies, bulk moduli, band gaps, X-ray diffraction patterns) of the studied diamond-like phases differ significantly from the corresponding values for cubic diamond.

An accurate density functional theory based estimation of pK(a) values of polar residues combined with experimental data: from amino acids to minimal proteins.

PubMed

Matsui, Toru; Baba, Takeshi; Kamiya, Katsumasa; Shigeta, Yasuteru

2012-03-28

We report a scheme for estimating the acid dissociation constant (pK(a)) based on quantum-chemical calculations combined with a polarizable continuum model, where a parameter is determined for small reference molecules. We calculated the pK(a) values of variously sized molecules ranging from an amino acid to a protein consisting of 300 atoms. This scheme enabled us to derive a semiquantitative pK(a) value of specific chemical groups and discuss the influence of the surroundings on the pK(a) values. As applications, we have derived the pK(a) value of the side chain of an amino acid and almost reproduced the experimental value. By using our computing schemes, we showed the influence of hydrogen bonds on the pK(a) values in the case of tripeptides, which decreases the pK(a) value by 3.0 units for serine in comparison with those of the corresponding monopeptides. Finally, with some assumptions, we derived the pK(a) values of tyrosines and serines in chignolin and a tryptophan cage. We obtained quite different pK(a) values of adjacent serines in the tryptophan cage; the pK(a) value of the OH group of Ser13 exposed to bulk water is 14.69, whereas that of Ser14 not exposed to bulk water is 20.80 because of the internal hydrogen bonds.

Volume shift and charge instability of simple-metal clusters

NASA Astrophysics Data System (ADS)

Brajczewska, M.; Vieira, A.; Fiolhais, C.; Perdew, J. P.

1996-12-01

Experiment indicates that small clusters show changes (mostly contractions) of the bond lengths with respect to bulk values. We use the stabilized jellium model to study the self-expansion and self-compression of spherical clusters (neutral or ionized) of simple metals. Results from Kohn - Sham density functional theory are presented for small clusters of Al and Na, including negatively-charged ones. We also examine the stability of clusters with respect to charging.

When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO2 Nanoparticles in the 1-6 nm Size Range from All Electron Relativistic Density Functional Theory Based Calculations.

PubMed

Lamiel-Garcia, Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Bromley, Stefan T; Illas, Francesc

2017-04-11

All electron relativistic density functional theory (DFT) based calculations using numerical atom-centered orbitals have been carried out to explore the relative stability, atomic, and electronic structure of a series of stoichiometric TiO 2 anatase nanoparticles explicitly containing up to 1365 atoms as a function of size and morphology. The nanoparticles under scrutiny exhibit octahedral or truncated octahedral structures and span the 1-6 nm diameter size range. Initial structures were obtained using the Wulff construction, thus exhibiting the most stable (101) and (001) anatase surfaces. Final structures were obtained from geometry optimization with full relaxation of all structural parameters using both generalized gradient approximation (GGA) and hybrid density functionals. Results show that, for nanoparticles of a similar size, octahedral and truncated octahedral morphologies have comparable energetic stabilities. The electronic structure properties exhibit a clear trend converging to the bulk values as the size of the nanoparticles increases but with a marked influence of the density functional employed. Our results suggest that electronic structure properties, and hence reactivity, for the largest anatase nanoparticles considered in this study will be similar to those exhibited by even larger mesoscale particles or by bulk systems. Finally, we present compelling evidence that anatase nanoparticles become effectively bulklike when reaching a size of ∼20 nm diameter.

Calculated electronic, transport, and related properties of zinc blende boron arsenide (zb-BAs)

DOE PAGES

Nwigboji, Ifeanyi H.; Malozovsky, Yuriy; Franklin, Lashounda; ...

2016-10-11

Here, we present the results from ab-initio, self-consistent density functional theory (DFT) calculations of electronic, transport, and bulk properties of zinc blende boron arsenide. We utilized the local density approximation potential of Ceperley and Alder, as parameterized by Vosko and his group, the linear combination of Gaussian orbitals formalism, and the Bagayoko, Zhao, and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF), in carrying out our completely self-consistent calculations. With this method, the results of our calculations have the full, physical content of density functional theory (DFT). Our results include electronic energy bands, densities of states, effective masses,more » and the bulk modulus. Our calculated, indirect band gap of 1.48 eV, from C to a conduction band minimum close to X, for the room temperature lattice constant of 4.777 Å, is in an excellent agreement with the experimental value of 1.46 6 0.02 eV. We thor-oughly explain the reasons for the excellent agreement between our findings and corresponding, experimental ones. This work provides a confirmation of the capability of DFT to describe accu-rately properties of materials, provides a confirmation of the capability of DFT to describe accu-rately properties of materials, if the computations adhere strictly to the conditions of validity of DFT, as done by the BZW-EF method.« less

Toughening mechanism in elastomer-modified epoxy resins, part 2

NASA Technical Reports Server (NTRS)

Yee, A. F.; Pearson, R. A.

1984-01-01

The role of matrix ductility on the toughenability and toughening mechanism of elastomer-modified DGEBRA epoxies was investigated. Matrix ductility was varied by using epoxide resins of varying epoxide monomer molecular weights. These epoxide resins were cured using 4,4' diaminodiphenyl sulfone (DDS) and, in some cases, modified with 10% HYCAR(r)CTBN 1300X8. Fracture roughness values for the neat epoxies were found to be almost independent on the monomer molecular weight of the epoxide resin used. However, it was found that the fracture toughness of the elastomer-modified epoxies was very dependent upon the epoxide monomer molecular weight. Tensile dilatometry indicated that the toughening mechanism, when present, is similar to the mechanisms found for the piperidine cured epoxies in Part 1. SEM and OM corroborate this finding. Dynamic mechanical studies were conducted to shed light on the toughenability of the epoxies. The time-dependent small strain behavior of these epoxies were separated into their bulk and shear components. The bulk component is related to brittle fracture, whereas the shear component is related to yielding. It can be shown that the rates of shear and bulk strain energy buildup for a given stress are uniquely determined by the values of Poisson's ratio, nu. It was found that nu increases as the monomer molecular weight of the epoxide resin used increases. This increase in nu can be associated with the low temperature beta relaxation. The effect of increasing cross-link density is to shift the beta relaxation to higher temperatures and to decrease the magnitude of the beta relaxation. Thus, increasing cross-link density decreases nu and increases the tendency towards brittle fracture.

Investigation of soil properties for identifying recharge characteristics in the Lake Chad Basin

NASA Astrophysics Data System (ADS)

Banks, M. L.; Ndunguru, G. G.; Adisa, S. J.; Lee, J.; Adegoke, J. O.; Goni, I. B.; Grindley, J.; Mulugeta, V.

2009-12-01

Lake Chad was once labeled as one of the largest fresh water lakes in the world, providing water and livelihood to over 20 million people. The lake is shared by six different countries; Chad Nigeria, Niger, Cameroon, Central African Republic, and Sudan. Since the 1970 to date, a significant decrease in the size of the lake has been observed with the use of satellite imagery. This shrinking of the lake has been blamed on global warming, population increase and poor water management by the agriculture industry for farming purpose for both plants and animals. While these can be all valid reasons for the decrease of Lake Chad, we see the need to examine environmental and hydrological evidence around the Lake Chad basin. This study was carried out from upper stream to lower stream leading from Kano to the Damatru region which is one of several water bodies that supply Lake Chad. Over seventy six sites were sampled for soil texture, bulk density and other physical properties to investigate recharge capacity of the basin especially along the stream. Soils were collected using a soil core and properly stored at 4 degrees Celsius. Soils were weighed and put to dry at 105 degrees for twenty four hours. Dry weight was recorded and bulk density was calculated. The wet sieve method was used to determine the particle size analysis. Soils were weighed to 10 grams and hydrogen peroxide added to separate particles. Samples were washed with water and put to dry overnight. Soils were reweighed and sieved to separate as course sand, fine sand and silt and clay. The data revealed that in the upstream, coarse sand continuously decreased while silt and clay continuously increased down toward the lake. At mid stream silt and clay had significantly higher values when compared to coarse sand and fine sand. In the lower stream, bulk density clearly decreased compared to the upper and mid streams. Correlations will be carried out to investigate the particle size analysis and bulk density with recharge capacity of the lake Chad Basin.

Water Dynamics at Protein-Protein Interfaces: Molecular Dynamics Study of Virus-Host Receptor Complexes.

PubMed

Dutta, Priyanka; Botlani, Mohsen; Varma, Sameer

2014-12-26

The dynamical properties of water at protein-water interfaces are unlike those in the bulk. Here we utilize molecular dynamics simulations to study water dynamics in interstitial regions between two proteins. We consider two natural protein-protein complexes, one in which the Nipah virus G protein binds to cellular ephrin B2 and the other in which the same G protein binds to ephrin B3. While the two complexes are structurally similar, the two ephrins share only a modest sequence identity of ∼50%. X-ray crystallography also suggests that these interfaces are fairly extensive and contain exceptionally large amounts of waters. We find that while the interstitial waters tend to occupy crystallographic sites, almost all waters exhibit residence times of less than hundred picoseconds in the interstitial region. We also find that while the differences in the sequence of the two ephrins result in quantitative differences in the dynamics of interstitial waters, the trends in the shifts with respect to bulk values are similar. Despite the high wetness of the protein-protein interfaces, the dynamics of interstitial waters are considerably slower compared to the bulk-the interstitial waters diffuse an order of magnitude slower and have 2-3 fold longer hydrogen bond lifetimes and 2-1000 fold slower dipole relaxation rates. To understand the role of interstitial waters, we examine how implicit solvent models compare against explicit solvent models in producing ephrin-induced shifts in the G conformational density. Ephrin-induced shifts in the G conformational density are critical to the allosteric activation of another viral protein that mediates fusion. We find that in comparison with the explicit solvent model, the implicit solvent model predicts a more compact G-B2 interface, presumably because of the absence of discrete waters at the G-B2 interface. Simultaneously, we find that the two models yield strikingly different induced changes in the G conformational density, even for those residues whose conformational densities in the apo state are unaffected by the treatment of the bulk solvent. Together, these results show that the explicit treatment of interstitial water molecules is necessary for a proper description of allosteric transitions.

"TNOs are Cool": A survey of the trans-Neptunian region. XIII. Statistical analysis of multiple trans-Neptunian objects observed with Herschel Space Observatory

NASA Astrophysics Data System (ADS)

Kovalenko, I. D.; Doressoundiram, A.; Lellouch, E.; Vilenius, E.; Müller, T.; Stansberry, J.

2017-11-01

Context. Gravitationally bound multiple systems provide an opportunity to estimate the mean bulk density of the objects, whereas this characteristic is not available for single objects. Being a primitive population of the outer solar system, binary and multiple trans-Neptunian objects (TNOs) provide unique information about bulk density and internal structure, improving our understanding of their formation and evolution. Aims: The goal of this work is to analyse parameters of multiple trans-Neptunian systems, observed with Herschel and Spitzer space telescopes. Particularly, statistical analysis is done for radiometric size and geometric albedo, obtained from photometric observations, and for estimated bulk density. Methods: We use Monte Carlo simulation to estimate the real size distribution of TNOs. For this purpose, we expand the dataset of diameters by adopting the Minor Planet Center database list with available values of the absolute magnitude therein, and the albedo distribution derived from Herschel radiometric measurements. We use the 2-sample Anderson-Darling non-parametric statistical method for testing whether two samples of diameters, for binary and single TNOs, come from the same distribution. Additionally, we use the Spearman's coefficient as a measure of rank correlations between parameters. Uncertainties of estimated parameters together with lack of data are taken into account. Conclusions about correlations between parameters are based on statistical hypothesis testing. Results: We have found that the difference in size distributions of multiple and single TNOs is biased by small objects. The test on correlations between parameters shows that the effective diameter of binary TNOs strongly correlates with heliocentric orbital inclination and with magnitude difference between components of binary system. The correlation between diameter and magnitude difference implies that small and large binaries are formed by different mechanisms. Furthermore, the statistical test indicates, although not significant with the sample size, that a moderately strong correlation exists between diameter and bulk density. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

Sediment movement and dispersal patterns on the Grand Banks continental shelf and slope were tied to the dynamics of the Laurentide ice-sheet margin

NASA Astrophysics Data System (ADS)

Rashid, H.; MacKillop, K.; Piper, D.; Vermooten, M.; Higgins, J.; Marche, B.; Langer, K.; Brockway, B.; Spicer, H. E.; Webb, M. D.; Fournier, E.

2015-12-01

The expansion and contraction of the late Pleistocene Laurentide ice-sheet (LIS) was the crucial determining factor for the geomorphic features and shelf and slope sediment mobility on the eastern Canadian continental margin, with abundant mass-transport deposits (MTDs) seaward of ice margins on the upper slope. Here, we report for the first time sediment failure and mass-transport deposits from the central Grand Banks slope in the Salar and Carson petroleum basins. High-resolution seismic profiles and multibeam bathymetry show numerous sediment failure scarps in 500-1600 m water depth. There is no evidence for an ice margin on the upper slope younger than MIS 6. Centimeter-scale X-ray fluorescence analysis (XRF), grain size, and oxygen isotope data from piston cores constrain sediment processes over the past 46 ka. Geotechnical measurements including Atterberg limit tests, vane shear measurements and triaxial and multi-stage isotropic consolidation tests allowed us to assess the instability on the continental margin. Cores with continuous undisturbed stratigraphy in contourite silty muds show normal downcore increase in bulk density and undrained peak shear strength. Heinrich (H) layers are identifiable by a marked increase in the bulk density, high Ca (ppm), increase in iceberg-rafted debris and lighter δ18O in the polar planktonic foram Neogloboquadrina pachyderma (sinistral): with a few C-14 dates they provide a robust chronology. There is no evidence for significant supply of sediment from the Grand Banks at the last-glacial maximum. Mass-transport deposits (MTD) are marked by variability in the bulk density, undrained shear strength and little variation in bulk density or Ca (ppm) values. The MTD are older than 46 ka on the central Grand Banks slope, whereas younger MTDs are present in southern Flemish Pass. Factor of safety calculations suggest the slope is statically stable up to gradients of 10°, but more intervals of silty mud may fail during earthquake-induced cyclic loading based on Atterberg tests. By analogy with the Holocene, contourites deposited in MIS 5e may be particularly silty and form a "weak layer" susceptible to failure.

Variations in soil detachment rates after wildfire as a function of soil depth, flow properties, and root properties

USGS Publications Warehouse

Moody, John A.; Nyman, Peter

2013-01-01

Wildfire affects hillslope erosion through increased surface runoff and increased sediment availability, both of which contribute to large post-fire erosion events. Relations between soil detachment rate, soil depth, flow and root properties, and fire impacts are poorly understood and not represented explicitly in commonly used post-fire erosion models. Detachment rates were measured on intact soil cores using a modified tilting flume. The cores were mounted flush with the flume-bed and a measurement was made on the surface of the core. The core was extruded upward, cut off, and another measurement was repeated at a different depth below the original surface of the core. Intact cores were collected from one site burned by the 2010 Fourmile Canyon (FMC) fire in Colorado and from one site burned by the 2010 Pozo fire in California. Each site contained contrasting vegetation and soil types. Additional soil samples were collected alongside the intact cores and were analyzed in the laboratory for soil properties (organic matter, bulk density, particle-size distribution) and for root properties (root density and root-length density). Particle-size distribution and root properties were different between sites, but sites were similar in terms of bulk density and organic matter. Soil detachment rates had similar relations with non-uniform shear stress and non-uniform unit stream power. Detachment rates within single sampling units displayed a relatively weak and inconsistent relation to flow variables. When averaged across all clusters, the detachment rate displayed a linear relation to shear stress, but variability in soil properties meant that the shear stress accounted for only a small proportion of the overall variability in detachment rates (R2 = 0.23; R2 is the coefficient of determination). Detachment rate was related to root-length density in some clusters (R2 values up to 0.91) and unrelated in others (R2 values 2 value improved and the range of exponents became narrower by applying a multivariate regression model where boundary shear stress and root-length density were included as explanatory variables. This suggests that an erodibility parameter which incorporates the effects of both flow and root properties on detachment could improve the representation of sediment availability after wildfire.

Contributions of organic and inorganic matter to sediment ...

EPA Pesticide Factsheets

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 = 1/[LOI/k1 + (1-LOI)/k2], where k1 and k2 are the self-packing densities of the pure organic and inorganic components, respectively. The model explained 78% of the variability in total BD when fitted to 5075 measurements drawn from 33 wetlands distributed around the conterminous United States. The values of k1 and k2 were estimated to be 0.085 ± 0.0007 g cm-3 and 1.99 ± 0.028 g cm-3, respectively. Based on the fitted organic density (k1) and constrained by primary production, the model suggests that the maximum steady state accretion arising from the sequestration of refractory organic matter is ≤ 0.3 cm yr-1. Thus, tidal peatlands are unlikely to survive indefinitely a higher rate of sea-level rise in the absence of a significant source of mineral sediment. Application of k2 to a mineral sediment load typical of East and eastern Gulf Coast estuaries gives a vertical accretion rate from inorganic sediment of 0.2 cm yr-1. Total steady state accretion is the sum of the parts and therefore should not be greater than 0.5 cm yr-1 under the assumptions of the model. Accretion rates could deviate from this value depending on variation in plant productivity, root:shoot ratio, suspended sedim

Airborne and ground based measurements in McMurdo Sound, Antarctica, for the validation of satellite derived ice thickness

NASA Astrophysics Data System (ADS)

Rack, Wolfgang; Haas, Christian; Langhorne, Pat; Leonard, Greg; Price, Dan; Barnsdale, Kelvin; Soltanzadeh, Iman

2014-05-01

Melting and freezing processes in the ice shelf cavities of the Ross and McMurdo Ice Shelves significantly influence the sea ice formation in McMurdo Sound. Between 2009 and 2013 we used a helicopter-borne laser and electromagnetic induction sounder (EM bird) to measure thickness and freeboard profiles across the ice shelf and the landfast sea ice, which was accompanied by extensive field validation, and coordinated with satellite altimeter overpasses. Using freeboard and thickness, the bulk density of all ice types was calculated assuming hydrostatic equilibrium. Significant density steps were detected between first-year and multi-year sea ice, with higher values for the younger sea ice. Values are overestimated in areas with abundance of sub-ice platelets because of overestimation in both ice thickness and freeboard. On the ice shelf, bulk ice densities were sometimes higher than that of pure ice, which can be explained by both the accretion of marine ice and glacial sediments. For thin ice, the freeboard to thickness conversion critically depends on the knowledge of snow properties. Our measurements allow tuning and validation of snow cover simulations using the Weather Research Forecasting (WRF) model. The simulated snowcover is used to calculate ice thickness from satellite derived freeboard. The results of our measurements, which are supported by the New Zealand Antarctic programme, draw a picture of how oceanographic processes influence the ice shelf morphology and sea ice formation in McMurdo Sound, and how satellite derived freeboard of ICESat and CryoSat together with information on snow cover can potentially capture the signature of these processes.

Inventory of forest and rangeland and detection of forest stress

NASA Technical Reports Server (NTRS)

Heller, R. C.; Aldrich, R. C.; Weber, F. P.; Driscoll, R. S. (Principal Investigator)

1973-01-01

The author has identified the following significant results. At the Atlanta site (226B) it was found that bulk color composites for October 15, 1972, and April 13, 1973, can be interpreted together to disclose the location of the perennial Kudzu vine (Pyeraria lobata). Land managers concerned with Kudzu eradication could use ERTS-1 to inventory locations over 200 meters (660 feet) square. Microdensitometer data collected on ERTS-1 Bulk photographic products for the Manitou test site (226C) have shown that the 15-step gray-scale tablets are not of systematic equal values corresponding to 1/14 the maximum radiant energy incident on the MSS sensor. The gray-scale values present a third-order polynomial function rather than a direct linear relationship. Although data collected on step tablets for precision photographic products appear more discrete, the density variation within blocks in almost as great as variations between blocks. These system errors will cause problems when attempting to analyze radiometric variances among vegetation and land use classes.

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.

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...

Environmental regulation of carbon isotope composition and crassulacean acid metabolism in three plant communities along a water availability gradient.

PubMed

Ricalde, M Fernanda; Andrade, José Luis; Durán, Rafael; Dupuy, Juan Manuel; Simá, J Luis; Us-Santamaría, Roberth; Santiago, Louis S

2010-12-01

Expression of crassulacean acid metabolism (CAM) is characterized by extreme variability within and between taxa and its sensitivity to environmental variation. In this study, we determined seasonal fluctuations in CAM photosynthesis with measurements of nocturnal tissue acidification and carbon isotopic composition (δ(13)C) of bulk tissue and extracted sugars in three plant communities along a precipitation gradient (500, 700, and 1,000 mm year(-1)) on the Yucatan Peninsula. We also related the degree of CAM to light habitat and relative abundance of species in the three sites. For all species, the greatest tissue acid accumulation occurred during the rainy season. In the 500 mm site, tissue acidification was greater for the species growing at 30% of daily total photon flux density (PFD) than species growing at 80% PFD. Whereas in the two wetter sites, the species growing at 80% total PFD had greater tissue acidification. All species had values of bulk tissue δ(13)C less negative than -20‰, indicating strong CAM activity. The bulk tissue δ(13)C values in plants from the 500 mm site were 2‰ less negative than in plants from the wetter sites, and the only species growing in the three communities, Acanthocereus tetragonus (Cactaceae), showed a significant negative relationship between both bulk tissue and sugar δ(13)C values and annual rainfall, consistent with greater CO(2) assimilation through the CAM pathway with decreasing water availability. Overall, variation in the use of CAM photosynthesis was related to water and light availability and CAM appeared to be more ecologically important in the tropical dry forests than in the coastal dune.

Impedance Spectroscopy and AC Conductivity Studies of Bulk 3-Amino-7-(dimethylamino)-2-methyl-hydrochloride

NASA Astrophysics Data System (ADS)

El-Shabaan, M. M.

2018-02-01

Impedance spectroscopy and alternating-current (AC) conductivity (σ AC) studies of bulk 3-amino-7-(dimethylamino)-2-methyl-hydrochloride (neutral red, NR) have been carried out over the temperature (T) range from 303 K to 383 K and frequency (f) range from 0.5 kHz to 5 MHz. Dielectric data were analyzed using the complex impedance (Z *) and complex electric modulus (M *) for bulk NR at various temperatures. The impedance loss peaks were found to shift towards high frequencies, indicating an increase in the relaxation time (τ 0) and loss in the material, with increasing temperature. For each temperature, a single depressed semicircle was observed at high frequencies, originating from the bulk transport, and a spike in the low-frequency region, resulting from the electrode effect. Fitting of these curves yielded an equivalent circuit containing a parallel combination of a resistance R and constant-phase element (CPE) Q. The carrier transport in bulk NR is governed by the correlated barrier hopping (CBH) mechanism, some parameters of which, such as the maximum barrier height (W M), charge density (N), and hopping distance (r), were determined as functions of both temperature and frequency. The frequency dependence of σ AC at different temperatures indicated that the conduction in bulk NR is a thermally activated process. The σ AC value at different frequencies increased linearly with temperature.

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.

Structural and elastic properties of AIBIIIC 2 VI semiconductors

NASA Astrophysics Data System (ADS)

Kumar, V.; Singh, Bhanu P.

2018-01-01

The plane wave pseudo-potential method within density functional theory has been used to calculate the structural and elastic properties of AIBIIIC 2 VI semiconductors. The electronic band structure, density of states, lattice constants (a and c), internal parameter (u), tetragonal distortion (η), energy gap (Eg), and bond lengths of the A-C (dAC) and B-C (dBC) bonds in AIBIIIC 2 VI semiconductors have been calculated. The values of elastic constants (Cij), bulk modulus (B), shear modulus (G), Young's modulus (Y), Poisson's ratio (υ), Zener anisotropy factor (A), Debye temperature (ϴD) and G/B ratio have also been calculated. The values of all 15 parameters of CuTlS2 and CuTlSe2 compounds, and 8 parameters of 20 compounds of AIBIIIC 2 VI family, except AgInS2 and AgInSe2, have been calculated for the first time. Reasonably good agreement has been obtained between the calculated, reported and available experimental values.

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.

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.

Enhanced gas absorption in the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N]) confined in silica slit pores: a molecular simulation study.

PubMed

Shi, Wei; Luebke, David R

2013-05-07

Two-dimensional NPxyT and isostress-osmotic (N2PxyTf1) Monte Carlo simulations were used to compute the density and gas absorption properties of the ionic liquid (IL) 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N]) confined in silica slit pores (25-45 Å). Self-diffusivity values for both gas and IL were calculated from NVE molecular dynamics simulations using both smooth and atomistic potential models for silica. The simulations showed that the molar volume of [hmim][Tf2N] confined in 25-45-Å silica slit pores is 12-31% larger than that of the bulk IL at 313-573 K and 1 bar. The amounts of CO2, H2, and N2 absorbed in the confined IL are 1.1-3 times larger than those in the bulk IL because of the larger molar volume of the confined IL compared to the bulk IL. The CO2, N2, and H2 molecules are generally absorbed close to the silica wall where the IL density is very low. This arrangement causes the self-diffusivities of these gases in the confined IL to be 2-8 times larger than those in the bulk IL at 298-573 K. The solubilities of water in the confined and bulk ILs are similar, which is likely due to strong water interactions with [hmim][Tf2N] through hydrogen bonding, so that the molar volume of the confined IL plays a less important role in determining the H2O solubility. Water molecules are largely absorbed in the IL-rich region rather than close to the silica wall. The self-diffusivities of water correlate with those of the confined IL. The confined IL exhibits self-diffusivities larger than those of the bulk IL at lower temperatures, but smaller than those of the bulk IL at higher temperatures. The findings from our simulations are consistent with available experimental data for similar confined IL systems.

Mechanical heterogeneity in ionic liquids

NASA Astrophysics Data System (ADS)

Veldhorst, Arno A.; Ribeiro, Mauro C. C.

2018-05-01

Molecular dynamics (MD) simulations of five ionic liquids based on 1-alkyl-3-methylimidazolium cations, [CnC1im]+, have been performed in order to calculate high-frequency elastic moduli and to evaluate heterogeneity of local elastic moduli. The MD simulations of [CnC1im][NO3], n = 2, 4, 6, and 8, assessed the effect of domain segregation when the alkyl chain length increases, and [C8C1im][PF6] assessed the effect of strength of anion-cation interaction. Dispersion curves of excitation energies of longitudinal and transverse acoustic, LA and TA, modes were obtained from time correlation functions of mass currents at different wavevectors. High-frequency sound velocity of LA modes depends on the alkyl chain length, but sound velocity for TA modes does not. High-frequency bulk and shear moduli, K∞ and G∞, depend on the alkyl chain length because of a density effect. Both K∞ and G∞ are strongly dependent on the anion. The calculation of local bulk and shear moduli was accomplished by performing bulk and shear deformations of the systems cooled to 0 K. The simulations showed a clear connection between structural and elastic modulus heterogeneities. The development of nano-heterogeneous structure with increasing length of the alkyl chain in [CnC1im][NO3] implies lower values for local bulk and shear moduli in the non-polar domains. The mean value and the standard deviations of distributions of local elastic moduli decrease when [NO3]- is replaced by the less coordinating [PF6]- anion.

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...

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

In situ measurements of the plasma bulk velocity near the Io flux tube

NASA Technical Reports Server (NTRS)

Barnett, A.

1985-01-01

The flow around the Io flux tube was studied by analyzing the eleven spectra taken by the Voyager 1 Plasma Science (PLS) experiment in its vicinity. The bulk plasma parameters were determined using a procedure that uses the full response function of the instrument and the data in all four PLS sensors. The mass density of the plasma in the vicinity of Io is found to be 22,500 + or - 2,500 amu/cu cm and its electron density is found to be 1500 + or - 200/cu cm. The Alfven speed was determined using three independent methods; the values obtained are consistent and taken together yield V sub A = 300 + or - 50 km/sec, corresponding to an Alfven Mach number of 0.19 + or - 0.02. For the flow pattern, good agreement was found with the model of Neubauer (1980), and it was concluded that the plasma flows around the flux tube with a pattern similar to the flow of an incompressible fluid around a long cylinder obstacle of radius 1.26 + or - 0.1 R sub Io.

Excitation-dependent carrier lifetime and diffusion length in bulk CdTe determined by time-resolved optical pump-probe techniques

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

Ščajev, Patrik; Miasojedovas, Saulius; Mekys, Algirdas

We applied time-resolved pump-probe spectroscopy based on free carrier absorption and light diffraction on a transient grating for direct measurements of the carrier lifetime and diffusion coefficient D in high-resistivity single crystal CdTe (codoped with In and Er). The bulk carrier lifetime t decreased from 670 +/-50 ns to 60 +/- 10 ns with increase of excess carrier density N from 10 16 to 5 x 10 18cm -3 due to the excitation-dependent radiative recombination rate. In this N range, the carrier diffusion length dropped from 14 um to 6 um due to lifetime decrease. Modeling of in-depth (axial) andmore » in-plane (lateral) carrier diffusion provided the value of surface recombination velocity S = 6 x 10 5 cm/s for the untreated surface. At even higher excitations, in the 10 19-3 x 10 20 cm -3 density range, D increase from 5 to 20 cm^2/s due to carrier degeneracy was observed.« less

Excitation-dependent carrier lifetime and diffusion length in bulk CdTe determined by time-resolved optical pump-probe techniques

DOE PAGES

Ščajev, Patrik; Miasojedovas, Saulius; Mekys, Algirdas; ...

2018-01-14

We applied time-resolved pump-probe spectroscopy based on free carrier absorption and light diffraction on a transient grating for direct measurements of the carrier lifetime and diffusion coefficient D in high-resistivity single crystal CdTe (codoped with In and Er). The bulk carrier lifetime t decreased from 670 +/-50 ns to 60 +/- 10 ns with increase of excess carrier density N from 10 16 to 5 x 10 18cm -3 due to the excitation-dependent radiative recombination rate. In this N range, the carrier diffusion length dropped from 14 um to 6 um due to lifetime decrease. Modeling of in-depth (axial) andmore » in-plane (lateral) carrier diffusion provided the value of surface recombination velocity S = 6 x 10 5 cm/s for the untreated surface. At even higher excitations, in the 10 19-3 x 10 20 cm -3 density range, D increase from 5 to 20 cm^2/s due to carrier degeneracy was observed.« less

Biochar Improves Soil Aggregate Stability and Water Availability in a Mollisol after Three Years of Field Application

PubMed Central

Zhang, Yulan; Yang, Lijie; Yu, Chunxiao; Yin, Guanghua; Doane, Timothy A.; Wu, Zhijie; Zhu, Ping; Ma, Xingzhu

2016-01-01

A field experiment was carried out to evaluate the effect of organic amendments on soil organic carbon, total nitrogen, bulk density, aggregate stability, field capacity and plant available water in a representative Chinese Mollisol. Four treatments were as follows: no fertilization (CK), application of inorganic fertilizer (NPK), combined application of inorganic fertilizer with maize straw (NPK+S) and addition of biochar with inorganic fertilizer (NPK+B). Our results showed that after three consecutive years of application, the values of soil bulk density were significantly lower in both organic amendment-treated plots than in unamended (CK and NPK) plots. Compared with NPK, NPK+B more effectively increased the contents of soil organic carbon, improved the relative proportion of soil macro-aggregates and mean weight diameter, and enhanced field capacity as well as plant available water. Organic amendments had no obvious effect on soil C/N ratio or wilting coefficient. The results of linear regression indicated that the improvement in soil water retention could be attributed to the increases in soil organic carbon and aggregate stability. PMID:27191160

Biochar Improves Soil Aggregate Stability and Water Availability in a Mollisol after Three Years of Field Application.

PubMed

Ma, Ningning; Zhang, Lili; Zhang, Yulan; Yang, Lijie; Yu, Chunxiao; Yin, Guanghua; Doane, Timothy A; Wu, Zhijie; Zhu, Ping; Ma, Xingzhu

2016-01-01

A field experiment was carried out to evaluate the effect of organic amendments on soil organic carbon, total nitrogen, bulk density, aggregate stability, field capacity and plant available water in a representative Chinese Mollisol. Four treatments were as follows: no fertilization (CK), application of inorganic fertilizer (NPK), combined application of inorganic fertilizer with maize straw (NPK+S) and addition of biochar with inorganic fertilizer (NPK+B). Our results showed that after three consecutive years of application, the values of soil bulk density were significantly lower in both organic amendment-treated plots than in unamended (CK and NPK) plots. Compared with NPK, NPK+B more effectively increased the contents of soil organic carbon, improved the relative proportion of soil macro-aggregates and mean weight diameter, and enhanced field capacity as well as plant available water. Organic amendments had no obvious effect on soil C/N ratio or wilting coefficient. The results of linear regression indicated that the improvement in soil water retention could be attributed to the increases in soil organic carbon and aggregate stability.

Self-interaction corrected LDA + U investigations of BiFeO3 properties: plane-wave pseudopotential method

NASA Astrophysics Data System (ADS)

Yaakob, M. K.; Taib, M. F. M.; Lu, L.; Hassan, O. H.; Yahya, M. Z. A.

2015-11-01

The structural, electronic, elastic, and optical properties of BiFeO3 were investigated using the first-principles calculation based on the local density approximation plus U (LDA + U) method in the frame of plane-wave pseudopotential density functional theory. The application of self-interaction corrected LDA + U method improved the accuracy of the calculated properties. Results of structural, electronic, elastic, and optical properties of BiFeO3, calculated using the LDA + U method were in good agreement with other calculation and experimental data; the optimized choice of on-site Coulomb repulsion U was 3 eV for the treatment of strong electronic localized Fe 3d electrons. Based on the calculated band structure and density of states, the on-site Coulomb repulsion U had a significant effect on the hybridized O 2p and Fe 3d states at the valence and the conduction band. Moreover, the elastic stiffness tensor, the longitudinal and shear wave velocities, bulk modulus, Poisson’s ratio, and the Debye temperature were calculated for U = 0, 3, and 6 eV. The elastic stiffness tensor, bulk modulus, sound velocities, and Debye temperature of BiFeO3 consistently decreased with the increase of the U value.

A New Approach to the Computer Modeling of Amorphous Nanoporous Structures of Semiconducting and Metallic Materials: A Review

PubMed Central

Romero, Cristina; Noyola, Juan C.; Santiago, Ulises; Valladares, Renela M.; Valladares, Alexander; Valladares, Ariel A.

2010-01-01

We review our approach to the generation of nanoporous materials, both semiconducting and metallic, which leads to the existence of nanopores within the bulk structure. This method, which we have named as the expanding lattice method, is a novel transferable approach which consists first of constructing crystalline supercells with a large number of atoms and a density close to the real value and then lowering the density by increasing the volume. The resulting supercells are subjected to either ab initio or parameterized—Tersoff-based—molecular dynamics processes at various temperatures, all below the corresponding bulk melting points, followed by geometry relaxations. The resulting samples are essentially amorphous and display pores along some of the “crystallographic” directions without the need of incorporating ad hoc semiconducting atomic structural elements such as graphene-like sheets and/or chain-like patterns (reconstructive simulations) or of reproducing the experimental processes (mimetic simulations). We report radial (pair) distribution functions, nanoporous structures of C and Si, and some computational predictions for their vibrational density of states. We present numerical estimates and discuss possible applications of semiconducting materials for hydrogen storage in potential fuel tanks. Nanopore structures for metallic elements like Al and Au also obtained through the expanding lattice method are reported.

Determination of pseudogap state density and carrier mobility in rf sputtered amorphous silicon. Quarterly technical progress report, January-March 31, 1980

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

Paul, W

1980-06-01

The effect of a variety of plasma cleaning procedures on the level of bulk and interfacial contaminants in the films is analyzed by secondary ion mass spectrometry. Bulk levels of 0 have been reduced considerably by N/sub 2/ plasma cleaning, but no reproducible reductions in interfacial contamination have been achieved. A method is described of determining the gap state density N(epsilon) of a-Si:H from field effect, in which no assumptions are made about the form of the band bending in the semiconductor. The problem is reduced to three successive integrals over an assumed N(epsilon) by change of variable from distancemore » to applied voltage and the best fit to the experimental data is obtained by iteration of the assumed state density. The method is shown to be no less rigorous and considerably more economical than the recent analysis of Goodman, Fritzsche and Ozaki. In addition, an experimental means of determining the flat-band voltage to within 5% of the maximum gate voltage V/sub g/ used is demonstrated, by finding the value of V/sub g/ for which (kT/e)dlog I/sub SD//dV/sub g/ is independent of temperature.« less

Energetic potential of algal biomass from high-rate algal ponds for the production of solid biofuels.

PubMed

Costa, Taynan de Oliveira; Calijuri, Maria Lúcia; Avelar, Nayara Vilela; Carneiro, Angélica de Cássia de Oliveira; de Assis, Letícia Rodrigues

2017-08-01

In this investigation, chemical characteristics, higher, lower and net heating value, bulk and energy density, and thermogravimetric analysis were applied to study the thermal characteristics of three algal biomasses. These biomasses, grown as by-products of wastewater treatment in high-rate algal ponds (HRAPs), were: (i) biomass produced in domestic effluent and collected directly from an HRAP (PO); (ii) biomass produced in domestic effluent in a mixed pond-panel system and collected from the panels (PA); and (iii) biomass originating from the treatment effluent from the meat processing industry and collected directly from an HRAP (IN). The biomass IN was the best alternative for thermal power generation. Subsequently, a mixture of the algal biomasses and Jatropha epicarp was used to produce briquettes containing 0%, 25%, 50%, 75%, and 100% of algal biomass, and their properties were evaluated. In general, the addition of algal biomass to briquettes decreased both the hygroscopicity and fixed carbon content and increased the bulk density, ash content, and energy density. A 50% proportion of biomass IN was found to be the best raw material for producing briquettes. Therefore, the production of briquettes consisting of algal biomass and Jatropha epicarp at a laboratory scale was shown to be technically feasible.

Ab-initio Calculation of Optoelectronic and Structural Properties of Cubic Lithium Oxide (Li2O)

NASA Astrophysics Data System (ADS)

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

Using the Bagayoko, Zhao, and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF), we performed ab-initio, density functional theory (DFT) calculations of optoelectronic, transport, and bulk properties of Li2S. In so doing, we avoid ``band gap'' and problems plaguing many DET calculations [AIP Advances 4, 127104 (2014)]. We employed a local density approximation (LDA) potential and the linear combination of atomic orbitals (LCAO). With the BZW-EF method, our results possess the full, physical content of DFT and agree with available, corresponding experimental ones. In particular, we found a room temperature indirect band gap of 6.659 eV that compares favorably with experimental values ranging from 5 to 7.99 eV. We also calculated total and partial density of states (DOS and PDOS), effective masses of charge carriers, the equilibrium lattice constant, and the bulk modulus. 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 Nos. DE-NA0001861 and DE- NA0002630), LaSPACE, and LONI-SUBR.

CONSTRAINTS ON THE PHYSICAL PROPERTIES OF MAIN BELT COMET P/2013 R3 FROM ITS BREAKUP EVENT

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

Hirabayashi, Masatoshi; Sánchez, Diego Paul; Gabriel, Travis

2014-07-01

Jewitt et al. recently reported that main belt comet P/2013 R3 experienced a breakup, probably due to rotational disruption, with its components separating on mutually hyperbolic orbits. We propose a technique for constraining physical properties of the proto-body, especially the initial spin period and cohesive strength, as a function of the body's estimated size and density. The breakup conditions are developed by combining mutual orbit dynamics of the smaller components and the failure condition of the proto-body. Given a proto-body with a bulk density ranging from 1000 kg m{sup –3} to 1500 kg m{sup –3} (a typical range of the bulk density of C-type asteroids),more » we obtain possible values of the cohesive strength (40-210 Pa) and the initial spin state (0.48-1.9 hr). From this result, we conclude that although the proto-body could have been a rubble pile, it was likely spinning beyond its gravitational binding limit and would have needed cohesive strength to hold itself together. Additional observations of P/2013 R3 will enable stronger constraints on this event, and the present technique will be able to give more precise estimates of its internal structure.« less

Thermal equation of state of silicon carbide

NASA Astrophysics Data System (ADS)

Wang, Yuejian; Liu, Zhi T. Y.; Khare, Sanjay V.; Collins, Sean Andrew; Zhang, Jianzhong; Wang, Liping; Zhao, Yusheng

2016-02-01

A large volume press coupled with in-situ energy-dispersive synchrotron X-ray was used to probe the change of silicon carbide (SiC) under high pressure and temperature (P-T) up to 8.1 GPa and 1100 K. The obtained pressure-volume-temperature data were fitted to a modified high-T Birch-Murnaghan equation of state, yielding values of a series of thermo-elastic parameters, such as the ambient bulk modulus KTo = 237(2) GPa, temperature derivative of the bulk modulus at a constant pressure (∂K/∂T)P = -0.037(4) GPa K-1, volumetric thermal expansivity α(0, T) = a + bT with a = 5.77(1) × 10-6 K-1 and b = 1.36(2) × 10-8 K-2, and pressure derivative of the thermal expansion at a constant temperature (∂α/∂P)T = 6.53 ± 0.64 × 10-7 K-1 GPa-1. Furthermore, we found the temperature derivative of the bulk modulus at a constant volume, (∂KT/∂T)V, equal to -0.028(4) GPa K-1 by using a thermal pressure approach. In addition, the elastic properties of SiC were determined by density functional theory through the calculation of Helmholtz free energy. The computed results generally agree well with the experimentally determined values.

Thermal equation of state of silicon carbide

DOE PAGES

Wang, Yuejian; Liu, Zhi T. Y.; Khare, Sanjay V.; ...

2016-02-11

A large volume press coupled with in-situ energy-dispersive synchrotron X-ray was used to probe the change of silicon carbide (SiC) under high pressure and temperature (P-T) up to 8.1 GPa and 1100 K. The obtained pressure–volume–temperature (P-V-T) data were fitted to a modified high-T Birch-Murnaghan equation of state, yielding values of a series of thermo-elastic parameters, such as, the ambient bulk modulus K To = 237(2) GPa, temperature derivative of bulk modulus at constant pressure (∂K/∂T)P = -0.037(4) GPa K -1, volumetric thermal expansivity α(0, T)=a+bT with a = 5.77(1)×10 -6 K -1 and b = 1.36(2)×10 -8 K -2,more » and pressure derivative of thermal expansion at constant temperature (∂α/∂P) T =6.53±0.64×10 -7 K -1GPa -1. Furthermore, we found the temperature derivative of bulk modulus at constant volume, (∂K T/∂T) V, equal to -0.028(4) GPa K -1 by using a thermal pressure approach. In addition, the elastic properties of SiC were determined by density functional theory through the calculation of Helmholtz free energy. Lastly, the computed results generally agree well with the experimental values.« less

[Effects of canopy density on the functional group of soil macro fauna in Pinus massoniana plantations].

PubMed

Zhou, Hong Yang; Zhang, Dan Ju; Zhang, Jie; Zhao, Yan Bo; Zhao, Bo; Wei, Da Ping; Zhang, Jian

2017-06-18

In order to understand the effects of canopy density on the functional group characteristics of soil macrofauna in Pinus massoniana plantations, we divided the captured soil fauna into five types including xylophages, predators, saprophages, omnivores and fungal feeders. The results showed that 1) Saprozoic feeders had the highest percentage of total individuals, and the omnivores and xylophages occupied higher percentages of total taxa. 2) The individual and group number of the predators, and the group number of xylophages did not change significantly under 0.5-0.6 and then decreased significantly under 0.6-0.9 canopy density. 3) With the increasing canopy density, the individual an dgroup number of predators in litter layer decreased significantly, the saprozoic individual number in 5-10 cm soil layer represented irregular trends. The individual number of xylophage increased with the depth of soil, and the group number in litter layer, the individual and group number in 5-10 cm soil layer decreased significantly. 4) Pielou evenness of xylophage had no significant changes with the canopy density, all the other diversity index of xylophage and saprophage were various with the increasing canopy density. The predatory Simpson index was stable under 0.5-0.8, and then decreased significantly under 0.8-0.9 canopy density. 5) The CCA (canonical correlation analysis) indicated that soil bulk density and moisture content were the main environmental factors affecting functional groups of soil macro fauna. Moisture content greatly impacted on the number of saprophagous individuals. But xylophage and predators were mostly affected by soil bulk density, and the predatory Simpson index was mainly affected by soil pH value and total phosphorus. Our research indicated that the structure of soil macro faunal functional group under 0.7 canopy density was comparatively stable, which would facilitate the maintenance of soil fertility and ecological function in Pinus massoniana plantation.

Creation of high-energy electron tails by means of the modified two-stream instability

NASA Technical Reports Server (NTRS)

Tanaka, M.; Papadopoulos, K.

1983-01-01

Particle simulations of the modified two-stream instability demonstrate strong electron acceleration rather than bulk heating when the relative drift speed is below a critical speed Vc. A very interesting nonlinear mode transition and autoresonance acceleration process is observed which accelerates the electrons much above the phase speed of the linearly unstable modes. Simple criteria are presented that predict the value of Vc and the number density of the accelerated electrons.

Ab initio predictions of structural and elastic properties of struvite: contribution to urinary stone research.

PubMed

Piechota, Jacek; Prywer, Jolanta; Torzewska, Agnieszka

2012-01-01

In the present work, we carried out density functional calculations of struvite--the main component of the so-called infectious urinary stones--to study its structural and elastic properties. Using a local density approximation and a generalised gradient approximation, we calculated the equilibrium structural parameters and elastic constants C(ijkl). At present, there is no experimental data for these elastic constants C (ijkl) for comparison. Besides the elastic constants, we also present the calculated macroscopic mechanical parameters, namely the bulk modulus (K), the shear modulus (G) and Young's modulus (E). The values of these moduli are found to be in good agreement with available experimental data. Our results imply that the mechanical stability of struvite is limited by the shear modulus, G. The study also explores the energy-band structure to understand the obtained values of the elastic constants.

Predicting available water of soil from particle-size distribution and bulk density in an oasis-desert transect in northwestern China

NASA Astrophysics Data System (ADS)

Li, Danfeng; Gao, Guangyao; Shao, Ming'an; Fu, Bojie

2016-07-01

A detailed understanding of soil hydraulic properties, particularly the available water content of soil, (AW, cm3 cm-3), is required for optimal water management. Direct measurement of soil hydraulic properties is impractical for large scale application, but routinely available soil particle-size distribution (PSD) and bulk density can be used as proxies to develop various prediction functions. In this study, we compared the performance of the Arya and Paris (AP) model, Mohammadi and Vanclooster (MV) model, Arya and Heitman (AH) model, and Rosetta program in predicting the soil water characteristic curve (SWCC) at 34 points with experimental SWCC data in an oasis-desert transect (20 × 5 km) in the middle reaches of the Heihe River basin, northwestern China. The idea of the three models emerges from the similarity of the shapes of the PSD and SWCC. The AP model, MV model, and Rosetta program performed better in predicting the SWCC than the AH model. The AW determined from the SWCCs predicted by the MV model agreed better with the experimental values than those derived from the AP model and Rosetta program. The fine-textured soils were characterized by higher AW values, while the sandy soils had lower AW values. The MV model has the advantages of having robust physical basis, being independent of database-related parameters, and involving subclasses of texture data. These features make it promising in predicting soil water retention at regional scales, serving for the application of hydrological models and the optimization of soil water management.

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...

Basin Excavation, Lower Crust, Composition, and Bulk Moon Mass balance in Light of a Thin Crust

NASA Technical Reports Server (NTRS)

Jolliff, B. L.; Korotev, R. L.; Ziegler, R. A.

2013-01-01

New lunar gravity results from GRAIL have been interpreted to reflect an overall thin and low-density lunar crust. Accordingly, crustal thickness has been modeled as ranging from 0 to 60 km, with thinnest crust at the locations of Crisium and Moscoviense basins and thickest crust in the central farside highlands. The thin crust has cosmochemical significance, namely in terms of implications for the Moon s bulk composition, especially refractory lithophile elements that are strongly concentrated in the crust. Wieczorek et al. concluded that the bulk Moon need not be enriched compared to Earth in refractory lithophile elements such as Al. Less Al in the crust means less Al has been extracted from the mantle, permitting relatively low bulk lunar mantle Al contents and low pre- and post-crust-extraction values for the mantle (or the upper mantle if only the upper mantle underwent LMO melting). Simple mass-balance calculations using the method of [4] suggests that the same conclusion might hold for Th and the entire suite of refractory lithophile elements that are incompatible in olivine and pyroxene, including the KREEP elements, that are likewise concentrated in the crust.

Horizon Entropy from Quantum Gravity Condensates.

PubMed

Oriti, Daniele; Pranzetti, Daniele; Sindoni, Lorenzo

2016-05-27

We construct condensate states encoding the continuum spherically symmetric quantum geometry of a horizon in full quantum gravity, i.e., without any classical symmetry reduction, in the group field theory formalism. Tracing over the bulk degrees of freedom, we show how the resulting reduced density matrix manifestly exhibits a holographic behavior. We derive a complete orthonormal basis of eigenstates for the reduced density matrix of the horizon and use it to compute the horizon entanglement entropy. By imposing consistency with the horizon boundary conditions and semiclassical thermodynamical properties, we recover the Bekenstein-Hawking entropy formula for any value of the Immirzi parameter. Our analysis supports the equivalence between the von Neumann (entanglement) entropy interpretation and the Boltzmann (statistical) one.

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

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.

Utilization of sewage sludge in the manufacture of lightweight aggregate.

PubMed

Franus, Małgorzata; Barnat-Hunek, Danuta; Wdowin, Magdalena

2016-01-01

This paper presents a comprehensive study on the possibility of sewage sludge management in a sintered ceramic material such as a lightweight aggregate. Made from clay and sludge lightweight aggregates were sintered at two temperatures: 1100 °C (name of sample LWA1) and 1150 °C (name of sample LWA2). Physical and mechanical properties indicate that the resulting expanded clay aggregate containing sludge meets the basic requirements for lightweight aggregates. The presence of sludge supports the swelling of the raw material, thereby causing an increase in the porosity of aggregates. The LWA2 has a lower value of bulk particle density (0.414 g/cm(3)), apparent particle density (0.87 g/cm(3)), and dry particle density (2.59 g/cm(3)) than it is in the case of LWA1 where these parameters were as follows: bulk particle density 0.685 g/cm(3), apparent particle density 1.05 g/cm(3), and dry particle density 2.69 g/cm(3). Water absorption and porosity of LWA1 (WA = 14.4 %, P = 60 %) are lower than the LWA2 (WA = 16.2 % and P = 66 %). This is due to the higher heating temperature of granules which make the waste gases, liberating them from the decomposition of organic sewage sludge. The compressive strength of LWA2 aggregate is 4.64 MPa and for LWA1 is 0.79 MPa. Results of leaching tests of heavy metals from examined aggregates have shown that insoluble metal compounds are placed in silicate and aluminosilicate structure of the starting materials (clays and sludges), whereas soluble substances formed crystalline skeleton of the aggregates. The thermal synthesis of lightweight aggregates from clay and sludge mixture is a waste-free method of their development.

Growth and characterization of MnAu2 films

NASA Astrophysics Data System (ADS)

Cheng, S. F.; Bussmann, K. M.

2017-01-01

MnAu2 films ranging from 60 to 200 nm thickness are deposited by co-sputtering from elemental targets. X-ray diffraction confirmed these films to be nearly single phase with tetragonal lattice parameters of a=0.336 nm and c=0.872 nm that compare well to the bulk values of a=0.336 nm and c=0.876 nm. The density of the films is analyzed using x-ray reflectivity to be 14.95 g/cm3 and within experimental error of previously determined value of 15.00 g/cm3. The films grown on c-plane sapphire, (100)MgO and (100)MgF2 are randomly oriented polycrystalline, while the films grown on a-plane sapphire, (111)MgO and (111)Si/(0001)AlN showed that the (110) plane is parallel to the film plane and there are three sets of domains in equal amount differing by 60° in-plane rotation. Magnetic order is found to become paramagnetic near 360 K which is in close proximity to the bulk value. There are deviations in the slope of hysteresis loops observed at 10 K around 10 kOe that indicate complex magnetic switching.

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.

High-Temperature High-Current Superconductors: Preparation, Structure, Superconducting Properties, and Flux-Pinning Mechanisms

NASA Astrophysics Data System (ADS)

Hu, Shouxiang

In bulk high-T_{rm c } superconductors, weak links at the grain boundaries and weak flux pinning are the two major causes of low critical current density (J_{ rm c}) at 77 K. In the present study, various processes designed and developed to address these problems are discussed. The novel pressurized-partial -melt-growth process, which leads to a relatively large improvement in the microstructure as well as in the superconducting properties of bulk Y-Ba-Cu-O superconductors, is described. The effects of introducing foreign elements to serve as pinning centers are reported, and the associated anomalous superconducting phenomena are explained on the basis of a detailed study of basic pinning mechanisms related to the presence of small defects. It is demonstrated that in certain cases the pinning force induced by the compression of the vortex line may be comparable to, or even larger than, the usually recognized pinning force due to the condensation energy. Studies of the pinning mechanism corresponding to large boundary defects show that boundary defects associated with certain non-superconducting inclusions and isolated weak links have a very positive role in the enhancement of both the critical current density and the effective activation energy for flux creep. However, even optimized theoretical estimates show that it will be difficult to reach J_ {rm c} values of 5 times 10^5 A/cm^2 at 77 K and H = 1 T by increasing the number of Y_2BaCuO inclusions alone. Although even higher J_{rm c} values may be achieved by introducing other types of defects using alternative approaches such as irradiation, and, probably, chemical doping, the presence of large amount of boundary defects is very important in causing a large increase in the effective activation energy for flux creep. Also studied are the anisotropic electromagnetic features of the grain-aligned YBa_2Cu _3O_{rm x} bulk superconductors. The development of novel processing methods guided by improved understanding of the basic mechanisms involved opens the way for the preparation of high-quality bulk high-T_{rm c} superconducting materials for a wide variety of applications.

Intrinsic physical conditions and structure of relativistic jets in active galactic nuclei

NASA Astrophysics Data System (ADS)

Nokhrina, E. E.; Beskin, V. S.; Kovalev, Y. Y.; Zheltoukhov, A. A.

2015-03-01

The analysis of the frequency dependence of the observed shift of the cores of relativistic jets in active galactic nuclei (AGNs) allows us to evaluate the number density of the outflowing plasma ne and, hence, the multiplicity parameter λ = ne/nGJ, where nGJ is the Goldreich-Julian number density. We have obtained the median value for λmed = 3 × 1013 and the median value for the Michel magnetization parameter σM, med = 8 from an analysis of 97 sources. Since the magnetization parameter can be interpreted as the maximum possible Lorentz factor Γ of the bulk motion which can be obtained for relativistic magnetohydrodynamic (MHD) flow, this estimate is in agreement with the observed superluminal motion of bright features in AGN jets. Moreover, knowing these key parameters, one can determine the transverse structure of the flow. We show that the poloidal magnetic field and particle number density are much larger in the centre of the jet than near the jet boundary. The MHD model can also explain the typical observed level of jet acceleration. Finally, casual connectivity of strongly collimated jets is discussed.

Flux pinning characteristics in cylindrical ingot niobium used in superconducting radio frequency cavity fabrication

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

Dhavale Ashavai, Pashupati Dhakal, Anatolii A Polyanskii, Gianluigi Ciovati

We present the results of from DC magnetization and penetration depth measurements of cylindrical bulk large-grain (LG) and fine-grain (FG) niobium samples used for the fabrication of superconducting radio frequency (SRF) cavities. The surface treatment consisted of electropolishing and low temperature baking as they are typically applied to SRF cavities. The magnetization data were fitted using a modified critical state model. The critical current density Jc and pinning force Fp are calculated from the magnetization data and their temperature dependence and field dependence are presented. The LG samples have lower critical current density and pinning force density compared to FGmore » samples which implies a lower flux trapping efficiency. This effect may explain the lower values of residual resistance often observed in LG cavities than FG cavities.« less

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

Emin, David, E-mail: emin@unm.edu; Akhtari, Massoud; Ellingson, B. M.

We analyze the transient-dc and frequency-dependent electrical conductivities between blocking electrodes. We extend this analysis to measurements of ions’ transport in freshly excised bulk samples of human brain tissue whose complex cellular structure produces blockages. The associated ionic charge-carrier density and diffusivity are consistent with local values for sodium cations determined non-invasively in brain tissue by MRI (NMR) and diffusion-MRI (spin-echo NMR). The characteristic separation between blockages, about 450 microns, is very much shorter than that found for sodium-doped gel proxies for brain tissue, >1 cm.

RUNOFF, SEDIMENT TRANSPORT, AND SURFACE COLLAPSE AT A LOW-LEVEL RADIOACTIVE-WASTE BURIAL SITE NEAR SHEFFIELD, ILLINOIS.

USGS Publications Warehouse

Gray, John R.; Peters, Charles A.; ,

1985-01-01

Runoff, sediment transport, and precipitation were measured in three gaged basins composing two-thirds of the 20-acre site, and in a 3. 5-acre basin located 0. 3 mile south of the site. Locations and dimensions of surface collapses at the site were recorded by the site contractor. Volumes of collapsed material were calculated and converted to an equivalent weight of earth material by applying a mean value for the bulk density of soils at the site.

RBS, XRR and optical reflectivity measurements of Ti-TiO{sub 2} thin films deposited by magnetron sputtering

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

Drogowska, K.; Institute of Materials Science, Technische Universitaet Darmstadt, Petersenstrasse 23, 64287 Darmstadt; Tarnawski, Z., E-mail: tarnawsk@agh.edu.pl

2012-02-15

Highlights: Black-Right-Pointing-Pointer The single-, bi- and tri-layered films of Ti-TiO{sub 2} deposited onto Si(1 1 1) substrates. Black-Right-Pointing-Pointer Three methods RBS, XRR, optical reflectometer were used. Black-Right-Pointing-Pointer The real thickness of each layer was smaller than 50 nm. Black-Right-Pointing-Pointer Ti and TiO{sub 2} film-densities were slightly lower than the corresponding bulk values. -- Abstract: Single-, bi- and tri-layered films of Ti-TiO{sub 2} system were deposited by d.c. pulsed magnetron sputtering from metallic Ti target in an inert Ar or reactive Ar + O{sub 2} atmosphere. The nominal thickness of each layer was 50 nm. The chemical composition and its depthmore » profile were determined by Rutherford backscattering spectroscopy (RBS). Crystallographic structure was analysed by means of X-ray diffraction (XRD) at glancing incidence. X-ray reflectometry (XRR) was used as a complementary method for the film thickness and density evaluation. Modelling of the optical reflectivity spectra of Ti-TiO{sub 2} thin films deposited onto Si(1 1 1) substrates provided an independent estimate of the layer thickness. The combined analysis of RBS, XRR and reflectivity spectra indicated the real thickness of each layer less than 50 nm with TiO{sub 2} film density slightly lower than the corresponding bulk value. Scanning Electron Microscopy (SEM) cross-sectional images revealed the columnar growth of TiO{sub 2} layers. Thickness estimated directly from SEM studies was found to be in a good agreement with the results of RBS, XRR and reflectivity spectra.« less

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

PubMed Central

Barber, Donald C.; Callaway, John C.; Chambers, Randy; Hagen, Scott C.; Hopkinson, Charles S.; Johnson, Beverly J.; Megonigal, Patrick; Neubauer, Scott C.; Troxler, Tiffany; Wigand, Cathleen

2016-01-01

Abstract 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 that the bulk volume of sediment equates to the sum of self‐packing volumes of organic and mineral components or BD = 1/[LOI/k1 + (1‐LOI)/k2], where k1 and k2 are the self‐packing densities of the pure organic and inorganic components, respectively. The model explained 78% of the variability in total BD when fitted to 5075 measurements drawn from 33 wetlands distributed around the conterminous United States. The values of k1 and k2 were estimated to be 0.085 ± 0.0007 g cm−3 and 1.99 ± 0.028 g cm−3, respectively. Based on the fitted organic density (k1) and constrained by primary production, the model suggests that the maximum steady state accretion arising from the sequestration of refractory organic matter is ≤ 0.3 cm yr−1. Thus, tidal peatlands are unlikely to indefinitely survive a higher rate of sea‐level rise in the absence of a significant source of mineral sediment. Application of k2 to a mineral sediment load typical of East and eastern Gulf Coast estuaries gives a vertical accretion rate from inorganic sediment of 0.2 cm yr−1. Total steady state accretion is the sum of the parts and therefore should not be greater than 0.5 cm yr−1 under the assumptions of the model. Accretion rates could deviate from this value depending on variation in plant productivity, root:shoot ratio, suspended sediment concentration, sediment‐capture efficiency, and episodic events. PMID:27819012

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...

Experimental investigation of fire propagation in single live shrubs

Treesearch

Jing Li; Shankar Mahalingam; David R. Weise

2017-01-01

This work focuses broadly on individual, live shrubs and, more specifically, it examines bulk density in chaparral and its combined effects with wind and ignition location on the resulting fire behaviour. Empirical functions to predict bulk density as a function of height for 4-year-old chaparral were developed for two typical species of shrub fuels in southern...

Origin of the monolayer Raman signature in hexagonal boron nitride: a first-principles analysis.

PubMed

Ontaneda, Jorge; Singh, Anjali; Waghmare, Umesh V; Grau-Crespo, Ricardo

2018-05-10

Monolayers of hexagonal boron nitride (h-BN) can in principle be identified by a Raman signature, consisting of an upshift in the frequency of the E 2g vibrational mode with respect to the bulk value, but the origin of this shift (intrinsic or support-induced) is still debated. Herein we use density functional theory calculations to investigate whether there is an intrinsic Raman shift in the h-BN monolayer in comparison with the bulk. There is universal agreement among all tested functionals in predicting the magnitude of the frequency shift upon a variation in the in-plane cell parameter. It is clear that a small in-plane contraction can explain the Raman peak upshift from bulk to monolayer. However, we show that the larger in-plane parameter in the bulk (compared to the monolayer) results from non-local correlation effects, which cannot be accounted for by local functionals or those with empirical dispersion corrections. Using a non-local-correlation functional, we then investigate the effect of finite temperatures on the Raman signature. We demonstrate that bulk h-BN thermally expands in the direction perpendicular to the layers, while the intralayer distances slightly contract, in agreement with observed experimental behavior. Interestingly, the difference in in-plane cell parameter between bulk and monolayer decreases with temperature, and becomes very small at room temperature. We conclude that the different thermal expansion of bulk and monolayer partially 'erases' the intrinsic Raman signature, accounting for its small magnitude in recent experiments on suspended samples.

Origin of the monolayer Raman signature in hexagonal boron nitride: a first-principles analysis

NASA Astrophysics Data System (ADS)

Ontaneda, Jorge; Singh, Anjali; Waghmare, Umesh V.; Grau-Crespo, Ricardo

2018-05-01

Monolayers of hexagonal boron nitride (h-BN) can in principle be identified by a Raman signature, consisting of an upshift in the frequency of the E2g vibrational mode with respect to the bulk value, but the origin of this shift (intrinsic or support-induced) is still debated. Herein we use density functional theory calculations to investigate whether there is an intrinsic Raman shift in the h-BN monolayer in comparison with the bulk. There is universal agreement among all tested functionals in predicting the magnitude of the frequency shift upon a variation in the in-plane cell parameter. It is clear that a small in-plane contraction can explain the Raman peak upshift from bulk to monolayer. However, we show that the larger in-plane parameter in the bulk (compared to the monolayer) results from non-local correlation effects, which cannot be accounted for by local functionals or those with empirical dispersion corrections. Using a non-local-correlation functional, we then investigate the effect of finite temperatures on the Raman signature. We demonstrate that bulk h-BN thermally expands in the direction perpendicular to the layers, while the intralayer distances slightly contract, in agreement with observed experimental behavior. Interestingly, the difference in in-plane cell parameter between bulk and monolayer decreases with temperature, and becomes very small at room temperature. We conclude that the different thermal expansion of bulk and monolayer partially ‘erases’ the intrinsic Raman signature, accounting for its small magnitude in recent experiments on suspended samples.

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

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.

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.

Density Anomalies in the Mantle and the Gravitational Core-Mantle Interaction

NASA Technical Reports Server (NTRS)

Kuang, Weijia; Liu, Lanbo

2003-01-01

Seismic studies suggest that the bulk of the mantle is heterogeneous, with density variations in depth as well as in horizontal directions (latitude and longitude). This density variation produces a three- dimensional gravity field throughout the Earth. On the other hand, the core density also varies in both time and space, due to convective core flow. Consequently, the fluid outer core and the solid mantle interact gravitationally due to the mass anomalies in both regions. This gravitational core-mantle interaction could play a significant role in exchange of angular momentum between the core and the mantle, and thus the change in Earth's rotation on time scales of decades and longer. Aiming at estimating the significance of the gravitational core-mantle interaction on Earth's rotation variation, we introduce in our MoSST core dynamics model a heterogeneous mantle, with a density distribution derived from seismic results. In this model, the core convection is driven by the buoyancy forces. And the density variation is determined dynamically with the convection. Numerical simulation is carried out with different parameter values, intending to extrapolate numerical results for geophysical implications.

Development of property-transfer models for estimating the hydraulic properties of deep sediments at the Idaho National Engineering and Environmental Laboratory, Idaho

USGS Publications Warehouse

Winfield, Kari A.

2005-01-01

Because characterizing the unsaturated hydraulic properties of sediments over large areas or depths is costly and time consuming, development of models that predict these properties from more easily measured bulk-physical properties is desirable. At the Idaho National Engineering and Environmental Laboratory, the unsaturated zone is composed of thick basalt flow sequences interbedded with thinner sedimentary layers. Determining the unsaturated hydraulic properties of sedimentary layers is one step in understanding water flow and solute transport processes through this complex unsaturated system. Multiple linear regression was used to construct simple property-transfer models for estimating the water-retention curve and saturated hydraulic conductivity of deep sediments at the Idaho National Engineering and Environmental Laboratory. The regression models were developed from 109 core sample subsets with laboratory measurements of hydraulic and bulk-physical properties. The core samples were collected at depths of 9 to 175 meters at two facilities within the southwestern portion of the Idaho National Engineering and Environmental Laboratory-the Radioactive Waste Management Complex, and the Vadose Zone Research Park southwest of the Idaho Nuclear Technology and Engineering Center. Four regression models were developed using bulk-physical property measurements (bulk density, particle density, and particle size) as the potential explanatory variables. Three representations of the particle-size distribution were compared: (1) textural-class percentages (gravel, sand, silt, and clay), (2) geometric statistics (mean and standard deviation), and (3) graphical statistics (median and uniformity coefficient). The four response variables, estimated from linear combinations of the bulk-physical properties, included saturated hydraulic conductivity and three parameters that define the water-retention curve. For each core sample,values of each water-retention parameter were estimated from the appropriate regression equation and used to calculate an estimated water-retention curve. The degree to which the estimated curve approximated the measured curve was quantified using a goodness-of-fit indicator, the root-mean-square error. Comparison of the root-mean-square-error distributions for each alternative particle-size model showed that the estimated water-retention curves were insensitive to the way the particle-size distribution was represented. Bulk density, the median particle diameter, and the uniformity coefficient were chosen as input parameters for the final models. The property-transfer models developed in this study allow easy determination of hydraulic properties without need for their direct measurement. Additionally, the models provide the basis for development of theoretical models that rely on physical relationships between the pore-size distribution and the bulk-physical properties of the media. With this adaptation, the property-transfer models should have greater application throughout the Idaho National Engineering and Environmental Laboratory and other geographic locations.

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.

Soil structure, microbial biomass and carbon and nitrogen stocks as influenced by conventional tillage and conservation techniques

NASA Astrophysics Data System (ADS)

Abrougui, Khaoula; Khemis, Chiheb; Cornelis, Wim; Chehaibi, Sayed

2017-04-01

To evaluate the impact of tillage systems on soil environment, it is necessary to quantify the modifications to physical, chemical and biological properties. The objective of this study was to evaluate the short-term impact of different tillage systems in organic farming on soil resistance to penetration, bulk density, microbial biomass, organic matter, and carbon and nitrogen stocks. The tillage systems included conventional tillage (CT), 'agronomic' tillage (AT) and superficial (shallow) tillage (ST), with ST being a non-inversion practice. Tests were carried out on alluvial poorly developed soil (10% clay, 57% silt, 33% sand) in the Higher Institute of Agronomy of Chott Meriem (Tunisia). The soil resistance to penetration was measured with a penetrologger till 50 cm depth along with soil water content measurements. Bulk density (g cm-3) was measured by a cylinder densimeter on samples collected every 10 cm till 30 cm depth. Microbial biomass is a determining factor in soil biological quality because of its role in the regulation, transformation and storage of nutrients. To count the germs, we used the method of enumeration after incorporation into agar. The Walkley and Black method was used for the determination of soil organic matter, and Kjeldahl's for the analysis of total nitrogen content. Carbon and nitrogen stocks (t ha-1) were then calculated as a function of carbon and nitrogen contents, bulk density and the horizon depth. Shallow tillage without inversion ST showed the best values in terms of soil resistance and bulk density. Indeed, soil resistance was 3.1, 2.4 and 2 MPa under CT, AT and ST respectively at 40 cm depth. By adopting this conservation technique, we noted an increase in organic matter with 53% as compared to CT (from 1.9% to 2.9%) and thus a significant increase in C (from 12.5 to 14.5 g kg-1) and N (from 5 to 8 g kg-1) stocks, particularly in the topsoil. In fact, the increase of organic matter in the topsoil constituted a reserve of essential nutrients which allowed the development and boosted the activity of living beings from 756 to 780 UFC g-1 x 105 in the topsoil as compared to CT. The overall increase of C stocks in the topsoil for ST significantly contributes to carbon sequestration.

First-principles study of metallic iron interfaces

NASA Astrophysics Data System (ADS)

Hung, A.; Yarovsky, I.; Muscat, J.; Russo, S.; Snook, I.; Watts, R. O.

2002-04-01

Adhesion between clean, bulk-terminated bcc Fe(1 0 0) and Fe(1 1 0) matched and mismatched surfaces was simulated within the theoretical framework of the density functional theory. The generalized-gradient spin approximation exchange-correlation functional was used in conjunction with a plane wave-ultrasoft pseudopotential representation. The structure and properties of bulk bcc Fe were calculated in order to establish the reliability of the methodology employed, as well as to determine suitably converged values of computational parameters to be used in subsequent surface calculations. Interfaces were modelled using a single supercell approach, with the interfacial separation distance manipulated by the size of vacuum separation between vertically adjacent surface cells. The adhesive energies at discrete interfacial separations were calculated for each interface and the resulting data fitted to the universal binding energy relation (UBER) of Rose et al. [Phys. Rev. Lett. 47 (1981) 675]. An interpretation of the values of the fitted UBER parameters for the four Fe interfaces studied is given. In addition, a discussion on the validity of the employed computational methodology is presented.

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

Castaño-González, E.-E.; Seña, N.; Mendoza-Estrada, V.

In this paper, we carried out first-principles calculations in order to investigate the structural and electronic properties of the binary compound gallium antimonide (GaSb). This theoretical study was carried out using the Density Functional Theory within the plane-wave pseudopotential method. The effects of exchange and correlation (XC) were treated using the functional Local Density Approximation (LDA), generalized gradient approximation (GGA): Perdew–Burke–Ernzerhof (PBE), Perdew-Burke-Ernzerhof revised for solids (PBEsol), Perdew-Wang91 (PW91), revised Perdew–Burke–Ernzerhof (rPBE), Armiento–Mattson 2005 (AM05) and meta-generalized gradient approximation (meta-GGA): Tao–Perdew–Staroverov–Scuseria (TPSS) and revised Tao–Perdew–Staroverov–Scuseria (RTPSS) and modified Becke-Johnson (MBJ). We calculated the densities of state (DOS) and band structuremore » with different XC potentials identified and compared them with the theoretical and experimental results reported in the literature. It was discovered that functional: LDA, PBEsol, AM05 and RTPSS provide the best results to calculate the lattice parameters (a) and bulk modulus (B{sub 0}); while for the cohesive energy (E{sub coh}), functional: AM05, RTPSS and PW91 are closer to the values obtained experimentally. The MBJ, Rtpss and AM05 values found for the band gap energy is slightly underestimated with those values reported experimentally.« less

CO 2 Sorption to Subsingle Hydration Layer Montmorillonite Clay Studied by Excess Sorption and Neutron Diffraction Measurements

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

Rother, Gernot; Ilton, Eugene S.; Wallacher, Dirk

2013-01-02

Geologic storage of CO 2 requires that the caprock sealing the storage rock is highly impermeable to CO 2. Swelling clays, which are important components of caprocks, may interact with CO 2 leading to volume change and potentially impacting the seal quality. The interactions of supercritical (sc) CO 2 with Na saturated montmorillonite clay containing a subsingle layer of water in the interlayer region have been studied by sorption and neutron diffraction techniques. The excess sorption isotherms show maxima at bulk CO2 densities of ≈0.15 g/cm 3, followed by an approximately linear decrease of excess sorption to zero and negativemore » values with increasing CO 2 bulk density. Neutron diffraction experiments on the same clay sample measured interlayer spacing and composition. The results show that limited amounts of CO 2 are sorbed into the interlayer region, leading to depression of the interlayer peak intensity and an increase of the d(001) spacing by ca. 0.5 Å. The density of CO 2 in the clay pores is relatively stable over a wide range of CO 2 pressures at a given temperature, indicating the formation of a clay-CO 2 phase. Finally, at the excess sorption maximum, increasing CO 2 sorption with decreasing temperature is observed while the high-pressure sorption properties exhibit weak temperature dependence.« less

Optical waveguiding properties into porous gallium nitride structures investigated by prism coupling technique

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

Alshehri, Bandar; Dogheche, Elhadj, E-mail: elhadj.dogheche@univ-valenciennes.fr; Lee, Seung-Min

2014-08-04

In order to modulate the refractive index and the birefringence of Gallium Nitride (GaN), we have developed a chemical etching method to perform porous structures. The aim of this research is to demonstrate that optical properties of GaN can be tuned by controlling the pores density. GaN films are prepared on sapphire by metal organic chemical vapor deposition and the microstructure is characterized by transmission electron microscopy, and scanning electron microscope analysis. Optical waveguide experiment is demonstrated here to determine the key properties as the ordinary (n{sub 0}) and extraordinary (n{sub e}) refractive indices of etched structures. We report heremore » the dispersion of refractive index for porous GaN and compare it to the bulk material. We observe that the refractive index decreases when the porous density p is increased: results obtained at 0.975 μm have shown that the ordinary index n{sub 0} is 2.293 for a bulk layer and n{sub 0} is 2.285 for a pores density of 20%. This value corresponds to GaN layer with a pore size of 30 nm and inter-distance of 100 nm. The control of the refractive index into GaN is therefore fundamental for the design of active and passive optical devices.« less

[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.

Structure and phase behavior of a confined nanodroplet composed of the flexible chain molecules.

PubMed

Kim, Soon-Chul; Kim, Eun-Young; Seong, Baek-Seok

2011-04-28

A polymer density functional theory has been employed for investigating the structure and phase behaviors of the chain polymer, which is modelled as the tangentially connected sphere chain with an attractive interaction, inside the nanosized pores. The excess free energy of the chain polymer has been approximated as the modified fundamental measure-theory for the hard spheres, the Wertheim's first-order perturbation for the chain connectivity, and the mean-field approximation for the van der Waals contribution. For the value of the chemical potential corresponding to a stable liquid phase in the bulk system and a metastable vapor phase, the flexible chain molecules undergo the liquid-vapor transition as the pore size is reduced; the vapor is the stable phase at small volume, whereas the liquid is the stable phase at large volume. The wide liquid-vapor coexistence curve, which explains the wide range of metastable liquid-vapor states, is observed at low temperature. The increase of temperature and decrease of pore size result in a narrowing of liquid-vapor coexistence curves. The increase of chain length leads to a shift of the liquid-vapor coexistence curve towards lower values of chemical potential. The coexistence curves for the confined phase diagram are contained within the corresponding bulk liquid-vapor coexistence curve. The equilibrium capillary phase transition occurs at a higher chemical potential than in the bulk phase.

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.

Relationship between crystal structure and thermo-mechanical properties of kaolinite clay: Beyond standard density functional theory

DOE PAGES

Weck, Philippe F.; Kim, Eunja; Jove-Colon, Carlos F.

2015-03-04

In this study, the structural, mechanical and thermodynamic properties of 1 : 1 layered dioctahedral kaolinite clay, with ideal Al 2Si 2O 5(OH) 4 stoichiometry, were investigated using density functional theory corrected for dispersion interactions (DFT-D2). The bulk moduli of 56.2 and 56.0 GPa predicted at 298 K using the Vinet and Birch–Murnaghan equations of state, respectively, are in good agreement with the recent experimental value of 59.7 GPa reported for well-crystallized samples. The isobaric heat capacity computed for uniaxial deformation of kaolinite along the stacking direction reproduces calorimetric data within 0.7–3.0% from room temperature up to its thermal stabilitymore » limit.« less

The bonding, charge distribution, spin ordering, optical, and elastic properties of four MAX phases Cr2AX (A = Al or Ge, X = C or N): From density functional theory study

NASA Astrophysics Data System (ADS)

Li, Neng; Mo, Yuxiang; Ching, Wai-Yim

2013-11-01

In this work, we assess a full spectrum of properties (chemical bonding, charge distribution, spin ordering, optical, and elastic properties) of Cr2AC (A = Al, Ge) and their hypothetical nitride counterparts Cr2AN (A = Al, Ge) based on density functional theory calculations. The calculated total energy values indicate that a variety of spin ordering of these four compounds depending on interlayer-interactions between M-A and M-X within the sublattice, which is supported by bonding analysis. MAX phase materials are discovered to possess exotic magnetic properties which indicates that these materials could serve as promising candidates for novel layered magnetic materials for various electronic and spintronic applications. Further analysis of optical properties for two polarization vectors of Cr2AX shows that the reflectivity is high in the visible-ultraviolet region up to ˜15 eV suggesting Cr2AX as a promising candidate for use as a coating material. The elastic coefficients (Cij) and bulk mechanical properties [bulk modulus (K), shear modulus (G), Young's modulus (E), Poisson's ratio (η), and Pugh ratio (G/K)] of these four Cr2AX compounds are also calculated and analyzed, which pave the way to predict or design new MAX phases that are less brittle or tougher by having a lower G/K value or higher η.

Viscous Dissipation and Heat Conduction in Binary Neutron-Star Mergers.

PubMed

Alford, Mark G; Bovard, Luke; Hanauske, Matthias; Rezzolla, Luciano; Schwenzer, Kai

2018-01-26

Inferring the properties of dense matter is one of the most exciting prospects from the measurement of gravitational waves from neutron star mergers. However, it requires reliable numerical simulations that incorporate viscous dissipation and energy transport as these can play a significant role in the survival time of the post-merger object. We calculate time scales for typical forms of dissipation and find that thermal transport and shear viscosity will not be important unless neutrino trapping occurs, which requires temperatures above 10 MeV and gradients over length scales of 0.1 km or less. On the other hand, if direct-Urca processes remain suppressed, leaving modified-Urca processes to establish flavor equilibrium, then bulk viscous dissipation could provide significant damping to density oscillations right after merger. When comparing with data from state-of-the-art merger simulations, we find that the bulk viscosity takes values close to its resonant maximum in a typical merger, motivating a more careful assessment of the role of bulk viscous dissipation in the gravitational-wave signal from merging neutron stars.

Viscous Dissipation and Heat Conduction in Binary Neutron-Star Mergers

NASA Astrophysics Data System (ADS)

Alford, Mark G.; Bovard, Luke; Hanauske, Matthias; Rezzolla, Luciano; Schwenzer, Kai

2018-01-01

Inferring the properties of dense matter is one of the most exciting prospects from the measurement of gravitational waves from neutron star mergers. However, it requires reliable numerical simulations that incorporate viscous dissipation and energy transport as these can play a significant role in the survival time of the post-merger object. We calculate time scales for typical forms of dissipation and find that thermal transport and shear viscosity will not be important unless neutrino trapping occurs, which requires temperatures above 10 MeV and gradients over length scales of 0.1 km or less. On the other hand, if direct-Urca processes remain suppressed, leaving modified-Urca processes to establish flavor equilibrium, then bulk viscous dissipation could provide significant damping to density oscillations right after merger. When comparing with data from state-of-the-art merger simulations, we find that the bulk viscosity takes values close to its resonant maximum in a typical merger, motivating a more careful assessment of the role of bulk viscous dissipation in the gravitational-wave signal from merging neutron stars.

On the theory of electric double layer with explicit account of a polarizable co-solvent.

PubMed

Budkov, Yu A; Kolesnikov, A L; Kiselev, M G

2016-05-14

We present a continuation of our theoretical research into the influence of co-solvent polarizability on a differential capacitance of the electric double layer. We formulate a modified Poisson-Boltzmann theory, using the formalism of density functional approach on the level of local density approximation taking into account the electrostatic interactions of ions and co-solvent molecules as well as their excluded volume. We derive the modified Poisson-Boltzmann equation, considering the three-component symmetric lattice gas model as a reference system and minimizing the grand thermodynamic potential with respect to the electrostatic potential. We apply present modified Poisson-Boltzmann equation to the electric double layer theory, showing that accounting for the excluded volume of co-solvent molecules and ions slightly changes the main result of our previous simplified theory. Namely, in the case of small co-solvent polarizability with its increase under the enough small surface potentials of electrode, the differential capacitance undergoes the significant growth. Oppositely, when the surface potential exceeds some threshold value (which is slightly smaller than the saturation potential), the increase in the co-solvent polarizability results in a differential capacitance decrease. However, when the co-solvent polarizability exceeds some threshold value, its increase generates a considerable enhancement of the differential capacitance in a wide range of surface potentials. We demonstrate that two qualitatively different behaviors of the differential capacitance are related to the depletion and adsorption of co-solvent molecules at the charged electrode. We show that an additive of the strongly polarizable co-solvent to an electrolyte solution can shift significantly the saturation potential in two qualitatively different manners. Namely, a small additive of strongly polarizable co-solvent results in a shift of saturation potential to higher surface potentials. On the contrary, a sufficiently large additive of co-solvent shifts the saturation potential to lower surface potentials. We obtain that an increase in the co-solvent polarizability makes the electrostatic potential profile longer-ranged. However, increase in the co-solvent concentration in the bulk leads to non-monotonic behavior of the electrostatic potential profile. An increase in the co-solvent concentration in the bulk at its sufficiently small values makes the electrostatic potential profile longer-ranged. Oppositely, when the co-solvent concentration in the bulk exceeds some threshold value, its further increase leads to decrease in electrostatic potential at all distances from the electrode.

On the Astrid asteroid family

NASA Astrophysics Data System (ADS)

Carruba, V.

2016-09-01

Among asteroid families, the Astrid family is peculiar because of its unusual inclination distribution. Objects at a ≃ 2.764 au are quite dispersed in this orbital element, giving the family a `crab-like' appearance. Recent works showed that this feature is caused by the interaction of the family with the s - sC nodal secular resonance with Ceres, that spreads the inclination of asteroids near its separatrix. As a consequence, the currently observed distribution of the vW component of terminal ejection velocities obtained from inverting Gauss equation is quite leptokurtic, since this parameter mostly depends on the asteroids inclination. The peculiar orbital configuration of the Astrid family can be used to set constraints on key parameters describing the strength of the Yarkovsky force, such as the bulk and surface density and the thermal conductivity of surface material. By simulating various fictitious families with different values of these parameters, and by demanding that the current value of the kurtosis of the distribution in vW be reached over the estimated lifetime of the family, we obtained that the thermal conductivity of Astrid family members should be ≃0.001 W m-1 K-1, and that the surface and bulk density should be higher than 1000 kg m-3. Monte Carlo methods simulating Yarkovsky and stochastic Yarkovsky-O'Keefe-Radzievskii-Paddack (YORP) evolution of the Astrid family show its age to be T = 140 ± 30 Myr old, in good agreement with estimates from other groups. Its terminal ejection velocity parameter is in the range V_{EJ}= 5^{+17}_{-5} m s-1. Values of VEJ larger than 25 m s-1 are excluded from constraints from the current inclination distribution.

Effect of Phosphoric Acid Concentration on the Characteristics of Sugarcane Bagasse Activated Carbon

NASA Astrophysics Data System (ADS)

Adib, M. R. M.; Suraya, W. M. S. W.; Rafidah, H.; Amirza, A. R. M.; Attahirah, M. H. M. N.; Hani, M. S. N. Q.; Adnan, M. S.

2016-07-01

Impregnation method is one of the crucial steps involved in producing activated carbon using chemical activation process. Chemicals employed in this step is effective at decomposing the structure of material and forming micropores that helps in adsorption of contaminants. This paper explains thorough procedures that have been involved in producing sugarcane bagasse activated carbon (SBAC) by using 5%, 10%, 20%, 30% phosphoric acid (H3PO4) during the impregnation step. Concentration of H3PO4 used in the process of producing SBAC was optimized through several tests including bulk density, ash content, iodine adsorption and pore size diameter and the charactesristic of optimum SBAC produced has been compared with commercial activated carbon (CAC). Batch study has been carried out by using the SBAC produced from optimum condition to investigate the performance of SBAC in removal of turbidity and chemical oxygen demand (COD) from textile wastewater. From characteristic study, SBAC with 30% H3PO4 has shown the optimum value of bulk density, ash content, iodine adsorption and pore size diameter of 0.3023 g cm-3, 4.35%, 974.96 mg/g and 0.21-0.41 µm, respectively. These values are comparable to the characteristics of CAC. Experimental result from the batch study has been concluded that the SBAC has a promising potential in removing turbidity and COD of 75.5% and 66.3%, respectively which was a slightly lower than CAC which were able to remove 82.8% of turbidity and 70% of COD. As a conclusion, the SBAC is comparable with CAC in terms of their characteristics and the capability of removing contaminants from textile wastewater. Therefore, it has a commercial value to be used as an alternative of low-cost material in producing CAC.

The spatial range of protein hydration

NASA Astrophysics Data System (ADS)

Persson, Filip; Söderhjelm, Pär; Halle, Bertil

2018-06-01

Proteins interact with their aqueous surroundings, thereby modifying the physical properties of the solvent. The extent of this perturbation has been investigated by numerous methods in the past half-century, but a consensus has still not emerged regarding the spatial range of the perturbation. To a large extent, the disparate views found in the current literature can be traced to the lack of a rigorous definition of the perturbation range. Stating that a particular solvent property differs from its bulk value at a certain distance from the protein is not particularly helpful since such findings depend on the sensitivity and precision of the technique used to probe the system. What is needed is a well-defined decay length, an intrinsic property of the protein in a dilute aqueous solution, that specifies the length scale on which a given physical property approaches its bulk-water value. Based on molecular dynamics simulations of four small globular proteins, we present such an analysis of the structural and dynamic properties of the hydrogen-bonded solvent network. The results demonstrate unequivocally that the solvent perturbation is short-ranged, with all investigated properties having exponential decay lengths of less than one hydration shell. The short range of the perturbation is a consequence of the high energy density of bulk water, rendering this solvent highly resistant to structural perturbations. The electric field from the protein, which under certain conditions can be long-ranged, induces a weak alignment of water dipoles, which, however, is merely the linear dielectric response of bulk water and, therefore, should not be thought of as a structural perturbation. By decomposing the first hydration shell into polarity-based subsets, we find that the hydration structure of the nonpolar parts of the protein surface is similar to that of small nonpolar solutes. For all four examined proteins, the mean number of water-water hydrogen bonds in the nonpolar subset is within 1% of the value in bulk water, suggesting that the fragmentation and topography of the nonpolar protein-water interface has evolved to minimize the propensity for protein aggregation by reducing the unfavorable free energy of hydrophobic hydration.

Infiltration characteristics of non-aqueous phase liquids in undisturbed loessal soil cores.

PubMed

Wang, Yunqiang; Shao, Ming'an

2009-01-01

The widespread contamination of soils and aquifers by non-aqueous phase liquids (NAPL), such as crude oil, poses serious environmental and health hazards globally. Understanding the infiltration characteristics of NAPL in soil is crucial in mitigating or remediating soil contamination. The infiltration characteristics of crude and diesel oils into undisturbed loessal soil cores, collected in polymethyl methacrylate cylindrical columns, were investigated under a constant fluid head (3 cm) of either crude oil or diesel oil. The infiltration rate of both crude and diesel oils decreased exponentially as wetting depth increased with time. Soil core size and bulk density both had significant effects on NAPL infiltration through the undisturbed soil cores; a smaller core size or a greater bulk density could reduce oil penetration to depth. Compacting soil in areas susceptible to oil spills may be an effective stratage to reduce contamination. The infiltration of NAPL into soil cores was spatially anisotropic and heterogeneous, thus recording the data at four points on the soil core is a good stratage to improve the accuracy of experimental results. Our results revealed that crude and diesel oils, rather than their components, have a practical value for remediation of contaminated loessal soils.

Soil nitrogen patterns induced by colonization of Polygonum cuspidatum on Mt. Fuji.

PubMed

Hirose, T; Tateno, M

1984-02-01

The spatial pattern of soil nitrogen was analyzed for a patchy vegetation formed by the colonization of Polygonum cuspidatum in a volcanic "desert" on Mt. Fuji. Soils were sampled radially from the bare ground to the center of the patch, and analyses were done for bulk density, water content, soil acidity, organic matter, organic nitrogen, and ammonium and nitrate nitrogen. The soils matured with succession from the bare ground through P. cuspidatum to Miscanthus oligostachyus and Aster ageratoides sites: bulk density decreased, and water content, organic matter, organic nitrogen, and ammonium nitrogen increased. Nitrate nitrogen showed the highest values at the P. cuspidatum site. Application of principal component analysis to the soil data discriminated two component factors which control the variation of soil characteristics: the first factor is related to soil formation and the second factor to nitrogen mineralization and nitrification. The effect of soil formation on nitrogen mineralization and nitrification was analyzed with a first-order kinetic model. The decreasing trends with soil formation in the ratios of mineral to organic nitrogen and of nitrate to ammonium nitrogen could be accounted for by the higher activity of immobilization by microorganisms and uptake by plants in the more mature ecosystem.

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.

Testing the system detection unit for measuring solid minerals bulk density

NASA Astrophysics Data System (ADS)

Voytyuk, I. N.; Kopteva, A. V.

2017-10-01

The paper provides a brief description of the system for measuring flux per volume of solid minerals via example of mineral coal. The paper discloses the operational principle of the detection unit. The paper provides full description of testing methodology, as well as practical implementation of the detection unit testing. This paper describes the removal of two data arrays via the channel of scattered anddirect radiation for the detection units of two generations. This paper describes Matlab software to determine the statistical characteristics of the studied objects. The mean value of pulses per cycles, and pulse counting inaccuracy relatively the mean value were determined for the calculation of the stability account of the detection units.

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.

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.

The Pioneer 10 plasma analyzer results at Jupiter

NASA Technical Reports Server (NTRS)

Wolfe, J. H.

1975-01-01

Results are reported for the Pioneer 10 plasma-analyzer experiment at Jupiter. The analyzer system consisted of dual 90-deg quadrispherical electrostatic analyzers, multiple charged-particle detectors, and attendant electronics; it was capable of determining the incident plasma-distribution parameters over the energy range from 100 to 18,000 eV for protons and from approximately 1 to 500 eV for electrons. Data are presented on the interaction between the solar wind and the Jovian magnetosphere, the interplanetary ion flux, observations of the magnetosheath plasma, and traversals of the bow shock and magnetopause. Values are estimated for the proton isotropic temperature, number density, and bulk velocity within the magnetosheath flow field as well as for the beta parameter, ion number density, and magnetic-energy density of the magnetospheric plasma. It is argued that Jupiter has a reasonably thick magnetosphere somewhat similar to earth's except for the vastly different scale sizes involved.

Assessing Hubbard-corrected AM05+ U and PBEsol+ U density functionals for strongly correlated oxides CeO 2 and Ce 2O 3

DOE PAGES

Weck, Philippe F.; Kim, Eunja

2016-09-12

The structure–property relationships of bulk CeO 2 and Ce 2O 3 have been investigated using AM05 and PBEsol exchange–correlation functionals within the frameworks of Hubbard-corrected density functional theory (DFT+ U) and density functional perturbation theory (DFPT+ U). Compared with conventional PBE+ U, RPBE+ U, PW91+ U and LDA+ U functionals, AM05+ U and PBEsol+ U describe experimental crystalline parameters and properties of CeO 2 and Ce 2O 3 with superior accuracy, especially when + U is chosen close to its value derived by the linear-response approach. Lastly, the present findings call for a reexamination of some of the problematic oxidemore » materials featuring strong f- and d-electron correlation using AM05+ U and PBEsol+ U.« less

Elastic properties and optical absorption studies of mixed alkali borogermanate glasses

NASA Astrophysics Data System (ADS)

Taqiullah, S. M.; Ahmmad, Shaik Kareem; Samee, M. A.; Rahman, Syed

2018-05-01

First time the mixed alkali effect (MAE) has been investigated in the glass system xNa2O-(30-x)Li2O-40B2O3- 30GeO2 (0≤x≤30 mol%) through density and optical absorption studies. The present glasses were prepared by melt quench technique. The density of the present glasses varies non-linearly exhibiting mixed alkali effect. 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. From the absorption edge studies, the values of optical band gap energies for all transitions have been evaluated. It was established that the type of electronic transition in the present glass system is indirect allowed. The indirect optical band gap exhibit non-linear behavior with compositional parameter showing the mixed alkali effect.

Assessing Hubbard-corrected AM05+ U and PBEsol+ U density functionals for strongly correlated oxides CeO 2 and Ce 2O 3

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

Weck, Philippe F.; Kim, Eunja

The structure–property relationships of bulk CeO 2 and Ce 2O 3 have been investigated using AM05 and PBEsol exchange–correlation functionals within the frameworks of Hubbard-corrected density functional theory (DFT+ U) and density functional perturbation theory (DFPT+ U). Compared with conventional PBE+ U, RPBE+ U, PW91+ U and LDA+ U functionals, AM05+ U and PBEsol+ U describe experimental crystalline parameters and properties of CeO 2 and Ce 2O 3 with superior accuracy, especially when + U is chosen close to its value derived by the linear-response approach. Lastly, the present findings call for a reexamination of some of the problematic oxidemore » materials featuring strong f- and d-electron correlation using AM05+ U and PBEsol+ U.« less

Defect structure in electrodeposited nanocrystalline Ni layers with different Mo concentrations

NASA Astrophysics Data System (ADS)

Kapoor, Garima; Péter, László; Fekete, Éva; Gubicza, Jenő

2018-05-01

The effect of molybdenum (Mo) alloying on the lattice defect structure in electrodeposited nanocrystalline nickel (Ni) films was studied. The electrodeposited layers were prepared on copper substrate at room temperature, with a constant current density and pH value. The chemical composition of these layers was determined by EDS. In addition, X-ray diffraction line profile analysis was carried out to study the microstructural parameters such as the crystallite size, the dislocation density and the stacking fault probability. It was found that the higher Mo content yielded more than one order of magnitude larger dislocation density while the crystallite size was only slightly smaller. In addition, the twin boundary formation activity during deposition increased with increasing Mo concentration. The results obtained on electrodeposited layers were compared with previous research carried out on bulk nanocrystalline Ni-Mo materials with similar compositions but processed by severe plastic deformation.

Ab-initio calculations of electronic, transport, and structural properties of boron phosphide

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

Ejembi, J. I.; Nwigboji, I. H.; Franklin, L.

2014-09-14

We present results from ab-initio, self-consistent density functional theory calculations of electronic and related properties of zinc blende boron phosphide (zb-BP). We employed a local density approximation potential and implemented the linear combination of atomic orbitals formalism. This technique follows the Bagayoko, Zhao, and Williams method, as enhanced by the work of Ekuma and Franklin. The results include electronic energy bands, densities of states, and effective masses. The calculated band gap of 2.02 eV, for the room temperature lattice constant of a=4.5383 Å, is in excellent agreement with the experimental value of 2.02±0.05 eV. Our result for the bulk modulus,more » 155.7 GPa, agrees with experiment (152–155 GPa). Our predictions for the equilibrium lattice constant and the corresponding band gap, for very low temperatures, are 4.5269 Å and 2.01 eV, respectively.« less

Spheroidization of glass powders for glass ionomer cements.

PubMed

Gu, Y W; Yap, A U J; Cheang, P; Kumar, R

2004-08-01

Commercial angular glass powders were spheroidized using both the flame spraying and inductively coupled radio frequency plasma spraying techniques. Spherical powders with different particle size distributions were obtained after spheroidization. The effects of spherical glass powders on the mechanical properties of glass ionomer cements (GICs) were investigated. Results showed that the particle size distribution of the glass powders had a significant influence on the mechanical properties of GICs. Powders with a bimodal particle size distribution ensured a high packing density of glass ionomer cements, giving relatively high mechanical properties of GICs. GICs prepared by flame-spheroidized powders showed low strength values due to the loss of fine particles during flame spraying, leading to a low packing density and few metal ions reacting with polyacrylic acid to form cross-linking. GICs prepared by the nano-sized powders showed low strength because of the low bulk density of the nano-sized powders and hence low powder/liquid ratio of GICs.

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

Yadav, Praveen Kumar, E-mail: praveenyadav@rrcat.gov.in; Nayak, Maheswar; Rai, Sanjay Kumar

The authors report the effect of argon ion to molybdenum atom ratio (r) on the microstructure of low energy (70 eV) argon ion assisted electron beam evaporated Mo thin films. Surface roughness, morphology, and crystallinity of Mo films are found to strongly depend on “r.” Increase of “r” from 0 to 100 induces gradual loss in crystallinity, reduction in surface roughness and systematic increase in density of the film. For “r” ∼ 100, average atomic density of the film approaches the bulk value (97%) with lowest surface roughness. Further, increasing “r” up to 170 reduces the atomic density, increases roughness, and increase inmore » crystallinity induced by low energy Ar ion beam. The observed surface roughness and grain size determined by x-ray reflectivity and glancing incidence x-ray diffraction correlate well with atomic force microscopy measurements. This study demonstrates that for r = 100 one gets lowest roughness Mo film with highest density and nearly amorphous microstructure. The growth model is discussed by structural zone model.« less

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...

The effect of surface-bulk potential difference on the kinetics of intercalation in core-shell active cathode particles

NASA Astrophysics Data System (ADS)

Kazemiabnavi, Saeed; Malik, Rahul; Orvananos, Bernardo; Abdellahi, Aziz; Ceder, Gerbrand; Thornton, Katsuyo

2018-04-01

Surface modification of active cathode particles is commonly observed in battery research as either a surface phase evolving during the cycling process, or intentionally engineered to improve capacity retention, rate capability, and/or thermal stability of the cathode material. Here, a continuum-scale model is developed to simulate the galvanostatic charge/discharge of a cathode particle with core-shell heterostructure. The particle is assumed to be comprised of a core material encapsulated by a thin layer of a second phase that has a different open-circuit voltage. The effect of the potential difference between the surface and bulk phases (Ω) on the kinetics of lithium intercalation and the galvanostatic charge/discharge profiles is studied at different values of Ω, C-rates, and exchange current densities. The difference between the Li chemical potential in the surface and bulk phases of the cathode particle results in a concentration difference between these two phases. This leads to a charge/discharge asymmetry in the galvanostatic voltage profiles, causing a decrease in the accessible capacity of the particle. These effects are more significant at higher magnitudes of surface-bulk potential difference. The proposed model provides detailed insight into the kinetics and voltage behavior of the intercalation/de-intercalation processes in core-shell heterostructure cathode particles.

Influence of Ag, Cd or Pb Addition on Electrical and Dielectric Properties of Bulk Glassy Se-Ge

NASA Astrophysics Data System (ADS)

El-Metwally, E. G.; Shakra, A. M.

2018-05-01

Bulk glassy samples of Se0.7Ge0.3 and Se0.7Ge0.25 X 0.05 (X = Ag, Cd or Pb) chalcogenide glass have been prepared by melt-quenching method. The studied compositions were examined in powder form by x-ray diffraction analysis. The direct-current (dc) conductivity σ_{{dc}} was measured for bulk samples in the temperature range from 303 K to 433 K, revealing enhancement with temperature for all samples. The results indicate two values of activation energy ( Δ E_{{σ1 }} and Δ E_{{σ2 }} ) due to two conduction mechanisms. Measurements of the alternating-current (ac) conductivity σ_{{ac}} ( ω ) and dielectric properties for bulk samples were carried out in the temperature range from 303 K to 433 K and frequency range from 1 kHz to 1 MHz. The ac conductivity σ_{{ac}} ( ω ) was temperature dependent and proportional to ωS , where S is the frequency exponent, which reduced with rising temperature, and ω is the angular frequency. These results are discussed based on a correlated barrier hopping model. The calculated values of the maximum height of the barrier W_{{M}} for each composition are consistent with carrier hopping over a potential barrier. The density of localized states N( {E_{{F}} } ) at the Fermi level lay in the range from 1019 eV-1 cm-3 to 1020 eV-1 cm-3, and increased with temperature. The dielectric constant ɛ1 ( ω ) and loss ɛ2 ( ω ) increased with temperature but decreased with frequency. The values of σ_{{dc}} , σ_{{ac}} ( ω ) , ɛ1 ( ω ) , and ɛ2 ( ω ) increased with temperature and with addition of Ag, Cd or Pb. The observed increase was greater for Se0.7Ge0.25Pb0.05 than for Se0.7Ge0.25Cd0.05, which was greater than for Se0.7Ge0.25Ag0.05.

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.

Prediction of changes in important physical parameters during composting of separated animal slurry solid fractions.

PubMed

Chowdhury, Md Albarune; de Neergaard, Andreas; Jensen, Lars Stoumann

2014-01-01

Solid-liquid separation of animal slurry, with solid fractions used for composting, has gained interest recently. However, efficient composting of separated animal slurry solid fractions (SSFs) requires a better understanding of the process dynamics in terms of important physical parameters and their interacting physical relationships in the composting matrix. Here we monitored moisture content, bulk density, particle density and air-filled porosity (AFP) during composting of SSF collected from four commercially available solid-liquid separators. Composting was performed in laboratory-scale reactors for 30 days (d) under forced aeration and measurements were conducted on the solid samples at the beginning of composting and at 10-d intervals during composting. The results suggest that differences in initial physical properties of SSF influence the development of compost maximum temperatures (40-70 degreeC). Depending on SSF, total wet mass and volume losses (expressed as % of initial value) were up to 37% and 34%, respectively. After 30 d of composting, relative losses of total solids varied from 17.9% to 21.7% and of volatile solids (VS) from 21.3% to 27.5%, depending on SSF. VS losses in all composts showed different dynamics as described by the first-order kinetic equation. The estimated component particle density of 1441 kg m-3 for VS and 2625 kg m-3 for fixed solids can be used to improve estimates of AFP for SSF within the range tested. The linear relationship between wet bulk density and AFP reported by previous researchers held true for SSF.

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

Lehtomäki, Jouko; Makkonen, Ilja; Harju, Ari

We present a computational scheme for orbital-free density functional theory (OFDFT) that simultaneously provides access to all-electron values and preserves the OFDFT linear scaling as a function of the system size. Using the projector augmented-wave method (PAW) in combination with real-space methods, we overcome some obstacles faced by other available implementation schemes. Specifically, the advantages of using the PAW method are twofold. First, PAW reproduces all-electron values offering freedom in adjusting the convergence parameters and the atomic setups allow tuning the numerical accuracy per element. Second, PAW can provide a solution to some of the convergence problems exhibited in othermore » OFDFT implementations based on Kohn-Sham (KS) codes. Using PAW and real-space methods, our orbital-free results agree with the reference all-electron values with a mean absolute error of 10 meV and the number of iterations required by the self-consistent cycle is comparable to the KS method. The comparison of all-electron and pseudopotential bulk modulus and lattice constant reveal an enormous difference, demonstrating that in order to assess the performance of OFDFT functionals it is necessary to use implementations that obtain all-electron values. The proposed combination of methods is the most promising route currently available. We finally show that a parametrized kinetic energy functional can give lattice constants and bulk moduli comparable in accuracy to those obtained by the KS PBE method, exemplified with the case of diamond.« less

Numerical investigations on the characteristics of thermomagnetic instability in MgB2 bulks

NASA Astrophysics Data System (ADS)

Xia, Jing; Li, Maosheng; Zhou, Youhe

2017-07-01

This paper presents the characteristics of thermomagnetic instability in MgB2 bulks by numerically solving the macroscopic dynamics of thermomagnetic interaction governed by the coupled magnetic and heat diffusion equations in association with a modified E-J power-law relationship. The finite element method is used to discretize the system of partial differential equations. The calculated magnetization loops with flux jumps are consistent with the experimental results for MgB2 slabs bathed in a wide range of ambient temperatures. We reveal the evolution process of the thermomagnetic instability and present the distributions of the magnetic field, temperature, and current density before and after flux jumps. A 2D axisymmetric model is used to study the thermomagnetic instability in cylindrical MgB2 bulks. It is found that the number of flux jumps monotonously reduces as the ambient temperature rises and no flux jump appears when the ambient temperature exceeds a certain value. Moreover, the flux-jump phenomenon exists in a wide range of the ramp rate of the applied external field, i.e. 10-2-102 T s-1. Furthermore, the dependences of the first flux-jump field on the ambient temperature, ramp rate, and bulk thickness are investigated. The critical bulk thicknesses for stability are obtained for different ambient temperatures and sample radii. In addition, the influence of the capability of the interfacial heat transfer on the temporal response of the bulk temperature is discussed. We also find that the prediction of thermomagnetic instability is sensitive to the employment of the flux creep exponent in the simulations.

Quantum Effects in Cosmology

NASA Astrophysics Data System (ADS)

Saharian, A. A.

2016-09-01

We investigate the vacuum expectation value of the current density for a charged scalar field on a slice of anti-de Sitter (AdS) space with toroidally compact dimensions. Along the compact dimensions periodicity conditions are imposed on the field operator with general phases and the presence of a constant gauge field is assumed. The latter gives rise to Aharonov-Bohm-like effects on the vacuum currents. The current density along compact dimensions is a periodic function of the gauge field flux with the period equal to the flux quantum. It vanishes on the AdS boundary and, near the horizon, to the leading order, it is conformally related to the corresponding quantity in Minkowski bulk for a massless field. For large values of the length of the compact dimension compared with the AdS curvature radius, the vacuum current decays as power-law for both massless and massive fields. This behavior is essentially different from the corresponding one in Minkowski background, where the currents for a massive field are suppressed exponentially.

High-ionic-strength electroosmotic flows in uncharged hydrophobic nanochannels.

PubMed

Kim, Daejoong; Darve, Eric

2009-02-01

We report molecular dynamics simulation results of high-ionic-strength electroosmotic flows inside uncharged nanochannels. The possibility of this unusual electrokinetic phenomenon has been discussed by Dukhin et al. [A. Dukhin, S. Dukhin, P. Goetz, Langmuir 21 (2005) 9990]. Our computed velocity profiles clearly indicate the presence of a net flow with a maximum velocity around 2 m/s. We found the apparent zeta potential to be -29.7+/-6.8 mV, using the Helmholtz-Smoluchowski relation and the measured mean velocity. This value is comparable to experimentally measured values in Dukhin et al. and references therein. We also investigate the orientations of water molecules in response to an electric field by computing polarization density. Water molecules in the bulk region are oriented along the direction of the external electric field, while their near-wall orientation shows oscillations. The computation of three-dimensional density distributions of sodium and chloride ions around each individual water molecule show that chloride ions tend to concentrate near a water molecule, whereas sodium ions are diffusely distributed.

Magnetoacoustic Waves and the Kelvin-Helmholtz Instability in a Steady Asymmetric Slab. I: The Effects of Varying Density Ratios

NASA Astrophysics Data System (ADS)

Barbulescu, M.; Erdélyi, R.

2018-06-01

Recent observations have shown that bulk flow motions in structured solar plasmas, most evidently in coronal mass ejections (CMEs), may lead to the formation of Kelvin-Helmholtz instabilities (KHIs). Analytical models are thus essential in understanding both how the flows affect the propagation of magnetohydrodynamic (MHD) waves, and what the critical flow speed is for the formation of the KHI. We investigate both these aspects in a novel way: in a steady magnetic slab embedded in an asymmetric environment. The exterior of the slab is defined as having different equilibrium values of the background density, pressure, and temperature on either side. A steady flow and constant magnetic field are present in the slab interior. Approximate solutions to the dispersion relation are obtained analytically and classified with respect to mode and speed. General solutions and the KHI thresholds are obtained numerically. It is shown that, generally, both the KHI critical value and the cut-off speeds for magnetoacoustic waves are lowered by the external asymmetry.

In situ densimetric measurements as a surrogate for suspended-sediment concentrations in the Rio Puerco, New Mexico

USGS Publications Warehouse

Brown, Jeb E.; Gray, John R.; Hornewer, Nancy J.

2015-01-01

Surrogate measurements of suspended-sediment concentration (SSC) are increasingly used to provide continuous, high-resolution, and demonstrably accurate data at a reasonable cost. Densimetric data, calculated from the difference between two in situ pressure measurements, exploit variations in real-time streamflow densities to infer SSCs. Unlike other suspendedsediment surrogate technologies based on bulk or digital optics, laser, or hydroacoustics, the accuracy of SSC data estimated using the pressure-difference (also referred to as densimetric) surrogate technology theoretically improves with increasing SCCs. Coupled with streamflow data, continuous suspended-sediment discharges can be calculated using SSC data estimated in real-time using the densimetric technology. The densimetric technology was evaluated at the Rio Puerco in New Mexico, a stream where SSC values regularly range from 10,000-200,000 milligrams per liter (mg/L) and have exceeded 500,000 mg/L. The constant-flow dual-orifice bubbler measures pressure using two precision pressure-transducer sensors at vertically aligned fixed locations in a water column. Water density is calculated from the temperature-compensated differential pressure and SSCs are inferred from the density data. A linear regression model comparing density values to field-measured SSC values yielded an R² of 0.74. Although the application of the densimetric surrogate is likely limited to fluvial systems with SSCs larger than about 10,000 mg/L, based on this and previous studies, the densimetric technology fills a void for monitoring streams with high SSCs.

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.

Comparative investigation of thermal and mechanical properties of cross-linked epoxy polymers with different curing agents by molecular dynamics simulation.

PubMed

Jeyranpour, F; Alahyarizadeh, Gh; Arab, B

2015-11-01

Molecular dynamics (MD) simulations were carried out to predict the thermal and mechanical properties of the cross-linked epoxy system composed of DGEBA resin and the curing agent TETA. To investigate the effects of curing agents, a comprehensive and comparative study was also performed on the thermal and mechanical properties of DGEBA/TETA and DGEBA/DETDA epoxy systems such as density, glass transition temperature (Tg), coefficient of thermal expansion (CTE) and elastic properties of different cross-linking densities and different temperatures. The results indicated that the glass transition temperature of DGEBA/TETA system calculated through density-temperature data, ∼ 385-395 °K, for the epoxy system with the cross-linking density of 62.5% has a better agreement with the experimental value (Tg, ∼ 400 °K) in comparison to the value calculated through the variation of cell volume in terms of temperature, 430-440 °K. They also indicated that CTE related parameters and elastic properties including Young, Bulk, and shear's moduli, and Poisson's ratio have a relative agreement with the experimental results. Comparison between the thermal and mechanical properties of epoxy systems of DGEBA/TETA and DGEBA/DETDA showed that the DGEBA/DETDA has a higher Tg in all cross linking densities than that of DGEBA/TETA, while higher mechanical properties was observed in the case of DGEBA/TETA in almost all cross linking densities. Copyright © 2015 Elsevier Inc. All rights reserved.

From MEMRISTOR to MEMImpedance device

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

Wakrim, T.; Univ. Grenoble Alpes, G2Elab, F-38000 Grenoble; Vallée, C., E-mail: christophe.vallee@cea.fr

2016-02-01

The behavior of the capacitance switching of HfO{sub 2} Resistive non-volatile Memories is investigated in view of realizing a MEMImpedance (MEM-Z) device. In such a Metal Insulator Metal structure, the impedance value can be tuned by the adjustment of both resistance and capacitance values. We observe a strong variation of capacitance from positive to negative values in a single layer Metal Insulator Metal device made of HfO{sub 2} deposited by Atomic Layer Deposition, but unfortunately no memory effect is observed. However, in the case of a two layer structure, a device has been obtained with a memory effect where bothmore » resistance and capacitance values can be tuned simultaneously, with a variation of capacitance down to negative values to get an inductive behavior. Negative capacitance values are observed for voltage values near SET voltage. A schematic model based on shaped oxygen vacancy density is proposed to account for this capacitance variation. The oxygen vacancies can be either isolated or connected in the bulk of the oxide.« less

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.

Influence of the "surface effect" on the segregation parameters of S in Fe(100): A multi-scale modelling and Auger Electron Spectroscopy study

NASA Astrophysics Data System (ADS)

Barnard, P. E.; Terblans, J. J.; Swart, H. C.

2015-12-01

The article takes a new look at the process of atomic segregation by considering the influence of surface relaxation on the segregation parameters; the activation energy (Q), segregation energy (ΔG), interaction parameter (Ω) and the pre-exponential factor (D0). Computational modelling, namely Density Functional Theory (DFT) and the Modified Darken Model (MDM) in conjunction with Auger Electron Spectroscopy (AES) was utilized to study the variation of the segregation parameters for S in the surface region of Fe(100). Results indicate a variation in each of the segregation parameters as a function of the atomic layer under consideration. Values of the segregation parameters varied more dramatically as the surface layer is approached, with atomic layer 2 having the largest deviations in comparison to the bulk values. This atomic layer had the highest Q value and formed the rate limiting step for the segregation of S towards the Fe(100) surface. It was found that the segregation process is influenced by two sets of segregation parameters, those of the surface region formed by atomic layer 2, and those in the bulk material. This article is the first to conduct a full scale investigation on the influence of surface relaxation on segregation and labelled it the "surface effect".

Fuel cells and the theory of metals.

NASA Technical Reports Server (NTRS)

Bocciarelli, C. V.

1972-01-01

Metal theory is used to study the role of metal catalysts in electrocatalysis, with particular reference to alkaline hydrogen-oxygen fuel cells. Use is made of a simple model, analogous to that used to interpret field emission in vacuum. Theoretical values for all the quantities in the Tafel equation are obtained in terms of bulk properties of the metal catalysts (such as free electron densities and Fermi level). The reasons why some processes are reversible (H-electrodes) and some irreversible (O-electrodes) are identified. Selection rules for desirable properties of catalytic materials are established.

Hybrid functional study of α-uranium

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

Kaur, Gurpreet, E-mail: gurpreet@igcar.gov.in; Chinnappan, Ravi; Panigrahi, B. K.

2016-05-23

We have used the hybrid density functionals to study the structural and electronic properties of alpha-U. The fraction of exact Hartree Folk exchange used is varied from 0.0 to 0.6. The equilibrium volume is found to be underestimated and bulk modulus overestimated with HSE as compared to both calculated by PBE and the experimental values. Electronic bands below the Fermi level are found to shift to lower energy with respect to PBE electronic bands which itself gives the bands shifted to lower energies as compared to UPS experiments.

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).

Chalcogen (O2, S, Se, Te) atmosphere annealing induced bulk superconductivity in Fe1+yTe1-xSex single crystal

NASA Astrophysics Data System (ADS)

Sun, Y.; Tsuchiya, Y.; Yamada, T.; Taen, T.; Pyon, S.; Shi, Z. X.; Tamegai, T.

2014-09-01

We reported a detailed study of Fe1+yTe0.6Se0.4 single crystals annealed in the atmosphere of chalcogens (O2, S, Se, Te). After annealing with appropriate amount of chalcogens, Fe1+yTe0.6Se0.4 single crystals show Tc higher than 14 K with a sharp transition width ∼1 K. Critical current density Jc for the annealed crystals reach a very high value ∼2-4 × 105 A/cm2 under zero field, and is also robust under applied field at low temperatures. Magneto-optical imaging reveal that the Jc is homogeneously distributed in the annealed crystals and isotropic in the ab-plane. Our results show that annealing in the atmosphere of chalcogens can successfully induce bulk superconductivity in Fe1+yTe0.6Se0.4.

Physical property characterization of Fe-tube encapsulated and vacuum annealed bulk MgB 2

NASA Astrophysics Data System (ADS)

Awana, V. P. S.; Rawat, Rajeev; Gupta, Anurag; Isobe, M.; Singh, K. P.; Vajpayee, Arpita; Kishan, H.; Takayama-Muromachi, E.; Narlikar, A. V.

2006-08-01

We report the phase formation, and present a detailed study of magnetization and resistivity under magnetic field of MgB 2 polycrystalline bulk samples prepared by the Fe-tube encapsulated and vacuum (10 -5 Torr) annealed (750 ∘C) route. Zero-field-cooled magnetic susceptibility (χ) measurements exhibited a sharp transition to the superconducting state with a sizeable diamagnetic signal at 39 K (Tc). The measured magnetization loops of the samples, despite the presence of flux jumps, exhibited a stable current density (Jc) of around 2.4×10 5 A/cm 2 in up to 2 T (Tesla) field and at temperatures (T) up to 10 K. The upper critical field is estimated from resistivity measurements in various fields and shows a typical value of 8 T at 21 K. Further, χ measurements at an applied field of 0.1 T reveal a paramagnetic Meissner effect (PME) that is briefly discussed.

Anorthite: Thermal equation of state to high pressures. [for comparison with Earth interior and cratering properties of lunar surface

NASA Technical Reports Server (NTRS)

Jeanloz, R.; Ahrens, T. J.

1979-01-01

The shock wave (Hugoniot) data on single crystal and porous anorthite (CaAl2Si208) to pressures of 120 GPa are presented. These data are inverted to yield high pressure values of the Grueneisen parameter, adiabatic bulk modulus, and coefficient of thermal expansion over a broad range of pressures and temperatures which in turn are used to reduce the raw Hugoniot data and construct an experimentally based, high pressure thermal equation of state for anorthite. The hypothesis that higher order anharmonic contributions to the thermal properties decrease more rapidly upon compression than the lowest order anharmonicities is supported. The properties of anorthite corrected to lower mantle conditions show that although the density of anorthite is comparable to that of the lower most mantle, its bulk modulus is considerably less, hence making enrichment in the mantle implausible except perhaps near its base.

Astrometric masses of 21 asteroids, and an integrated asteroid ephemeris

NASA Astrophysics Data System (ADS)

Baer, James; Chesley, Steven R.

2008-01-01

We apply the technique of astrometric mass determination to measure the masses of 21 main-belt asteroids; the masses of 9 Metis (1.03 ± 0.24 × 10-11 M⊙), 17 Thetis (6.17 ± 0.64 × 10-13 M⊙), 19 Fortuna (5.41 ± 0.76 × 10-12 M⊙), and 189 Phthia (1.87 ± 0.64 × 10-14 M⊙) appear to be new. The resulting bulk porosities of 11 Parthenope (12±4%) and 16 Psyche (46±16%) are smaller than previously-reported values. Empirical expressions modeling bulk density as a function of mean radius are presented for the C and S taxonomic classes. To accurately model the forces on these asteroids during the mass determination process, we created an integrated ephemeris of the 300 large asteroids used in preparing the DE-405 planetary ephemeris; this new BC-405 integrated asteroid ephemeris also appears useful in other high-accuracy applications.

Temperature-dependent dielectric and energy-storage properties of Pb(Zr,Sn,Ti)O3 antiferroelectric bulk ceramics

NASA Astrophysics Data System (ADS)

Chen, Xuefeng; Liu, Zhen; Xu, Chenhong; Cao, Fei; Wang, Genshui; Dong, Xianlin

2016-05-01

The dielectric and energy-storage properties of Pb0.99Nb0.02[(Zr0.60Sn0.40)0.95Ti0.05]0.98O3 (PNZST) bulk ceramics near the antiferroelectric (AFE)-ferroelectric (FE) phase boundary are investigated as a function of temperature. Three characteristic temperatures T0, TC, T2 are obtained from the dielectric temperature spectrum. At different temperature regions (below T0, between T0 and TC, and above TC), three types of hysteresis loops are observed as square double loop, slim loop and linear loop, respectively. The switching fields and recoverable energy density all first increase and then decrease with increasing temperature, and reach their peak values at ˜T0. These results provide a convenient method to optimize the working temperature of antiferroelectric electronic devices through testing the temperature dependent dielectric properties of antiferroelectric ceramics.

Self-consistent DFT +U method for real-space time-dependent density functional theory calculations

NASA Astrophysics Data System (ADS)

Tancogne-Dejean, Nicolas; Oliveira, Micael J. T.; Rubio, Angel

2017-12-01

We implemented various DFT+U schemes, including the Agapito, Curtarolo, and Buongiorno Nardelli functional (ACBN0) self-consistent density-functional version of the DFT +U method [Phys. Rev. X 5, 011006 (2015), 10.1103/PhysRevX.5.011006] within the massively parallel real-space time-dependent density functional theory (TDDFT) code octopus. We further extended the method to the case of the calculation of response functions with real-time TDDFT+U and to the description of noncollinear spin systems. The implementation is tested by investigating the ground-state and optical properties of various transition-metal oxides, bulk topological insulators, and molecules. Our results are found to be in good agreement with previously published results for both the electronic band structure and structural properties. The self-consistent calculated values of U and J are also in good agreement with the values commonly used in the literature. We found that the time-dependent extension of the self-consistent DFT+U method yields improved optical properties when compared to the empirical TDDFT+U scheme. This work thus opens a different theoretical framework to address the nonequilibrium properties of correlated systems.

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.

Characterization and analysis of thermoelectric transport using SPB model in nanostructured aluminum doped zinc tellurium

NASA Astrophysics Data System (ADS)

Bhaskar, Ankam; Pai, Yi-Hsuan; Liu, Chia-Jyi

2017-11-01

Low-temperature electronic and thermal transport measurements are carried out on nanostructured Zn1-x Al x Te (0  ⩽  x  ⩽  0.15) fabricated using hydrothermal synthesis followed by evacuated-and-encapsulated sintering. A single parabolic band with acoustic phonon scattering is used to analyze thermoelectric transport data. It is found that reduced Fermi energy gets closer to the valence band edge and density of states effective mass, effective density of states, and Hall factor decrease with increasing x in doped samples. The chemical carrier concentration, carrier density independent mobility, β, and theoretical zT values increase with increasing x in doped samples. The nanostructured Zn1-x Al x Te exhibits significant reduction of thermal conductivity at 300 K (1.82-3.71 W m-1 K-1) as compared to bulk ZnTe (18 W m-1 K-1). The point-defect scattering and phonon-grain scattering play an important role in reducing the lattice thermal conductivity. In addition, partial substitution of Al3+ for Zn2+ significantly improves both the power factor and zT values.

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.

Palm-size miniature superconducting bulk magnet

NASA Astrophysics Data System (ADS)

Saho, Norihide; Matsuda, Kazuya; Nishijima, Noriyo

The development of a small, light, powerful and energy-efficient superconducting magnet has been desired in order to realize better efficiency and manipulability in guiding magnetic nano-particles, magnetic organic cells and other items to the right place. This study focuses on the development of a high-temperature superconducting (HTS) bulk magnet characterized by comparatively low leak magnetism despite a relatively high magnetic field. On this basis, the authors developed a palm-sized superconducting bulk magnet, which is the world's smallest, lightest, and lowest power consuming, as well as a new technology to effectively magnetize such a bulk magnet in a compact Stirling-cycle cryocooler (magnet C) with a pre-magnetized HTS bulk magnet (magnet B) in a compact cryocooler. This technology is demonstrated in two steps. In the first step, magnet B is magnetized using a superconducting solenoid magnet with a high magnetic field (magnet A) via the field cooling method. In the second step, magnet C is magnetized in the high magnetic field of magnet B. The prototype magnet C weighs 1.8 kg, and measures 235 × 65 × 115 mm (L × W × H). Magnet B was magnetized to 4.9 T using a 5 T magnet, and the target, magnet C, was magnetized using magnet B so that its maximum trapped magnetic flux density reached the value of 3.15 T. The net power consumption in a steady cooling state was 23 W, which is very low and comparable to that of a laptop computer.

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.

Soil compaction related to grazing and its effects on herbaceous roots frequency and soil organic matter content in rangelands of SW Spain

NASA Astrophysics Data System (ADS)

Pulido, Manuel; Schnabel, Susanne; Francisco Lavado Contador, Joaquín; Miralles Mellado, Isabel

2016-04-01

Rangelands in SW Spain occupy a total surface area of approximately 6 million ha and constitute the most representative extensive ranching system of the Iberian Peninsula gathering more than 13 million livestock heads. They are characterised by an herbaceous layer, mostly composed of therophytic species, with a disperse tree cover, mainly holm oak and cork oak (Quercus ilex rotundifolia and Q. suber), interspersed with shrubs in many places. This type of land system is of ancient origin and experienced frequent changes in land use in the past, since agricultural, livestock and forestry activities have coexisted within the same farms. In recent decades, livestock farming has become dominant due, in part, to the subsidies of the Common Agriculture Policy. Since Spain joined the European Union in 1986 until the year 2000, the number of domestic animals doubled, particularly cattle, and consequently animal stocking rates have increased on average from 0.40 AU ha-1 up to 0.70 AU ha-1. This increase in animal stocking rates, along with a progressive substitution of cattle instead of sheep in many farms, has led to the occurrence of land degradation processes such as the reduction of grass cover or soil compaction in heavily grazed areas. Previous research has evidenced higher values of soil bulk density and resistance to penetration as well as larger bare surface areas in spring in fenced areas with animal stocking rates above 1 AU ha-1. However, a better understanding of how increasing bulk density or resistance to penetration influence the frequency of herbaceous roots and how a reduction in the frequency of roots affects soil organic matter content in rangelands is still unknown. Therefore, the main goal of this study was to determine possible relationships between the frequencies of herbaceous roots and soil organic matter content in order to understand the effect of excessive animal numbers on the depletion of soil fertility by reducing progressively the quantity of roots. The study was carried out in 22 fenced areas belonging to 10 privately-owned farms grazed under different intensities (range: 0.19 - 15.76 AU ha-1 year-1). A total number of 597 undisturbed core samples and 311 bulk samples were collected in order to determine bulk density and soil organic matter content, among other many properties. Resistance to soil penetration was quantified using Eijkelkamp Penetrologger in 890 random points at different depth (0-80 cm) and soil moisture content (dry and wet). The frequency of herbaceous roots was estimated for each soil horizon in 47 soil profiles, described according to FAO and categorized in 4 classes: none-few, common, abundant and many. All variables were pair-wise correlated and their mean values were compared between the different classes of root frequency. Results showed an inverse relationship between soil resistance to penetration and the frequency of herbaceous roots, i.e. the amount of roots lower in soils with high resistance to penetration. Soil horizons with none or few, common, abundant and many roots averaged 0.74%, 1.27%, 2.23% and 2.70% of SOM, respectively, showing significant differences between groups. Furthermore, SOM showed negative coefficients of correlation with resistance to penetration under dry (r=-0.34, p<0.05) and under wet conditions (r=-0.11, p<0.05) and bulk density (r=-0.31, p<0.05). The values herein observed confirm that soil compaction provoked by an excessive number of animals can decrease the content of soil organic matter by reducing the quantity of herbaceous roots although further research is still needed.

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.

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.

Mapping the Dark Matter with 6dFGS

NASA Astrophysics Data System (ADS)

Mould, Jeremy R.; Magoulas, C.; Springob, C.; Colless, M.; Jones, H.; Lucey, J.; Erdogdu, P.; Campbell, L.

2012-05-01

Fundamental plane distances from the 6dF Galaxy Redshift Survey are fitted to a model of the density field within 200/h Mpc. Likelihood is maximized for a single value of the local galaxy density, as expected in linear theory for the relation between overdensity and peculiar velocity. The dipole of the inferred southern hemisphere early type galaxy peculiar velocities is calculated within 150/h Mpc, before and after correction for the individual galaxy velocities predicted by the model. The former agrees with that obtained by other peculiar velocity studies (e.g. SFI++). The latter is only of order 150 km/sec and consistent with the expectations of the standard cosmological model and recent forecasts of the cosmic mach number, which show linearly declining bulk flow with increasing scale.

Combining first-principles and data modeling for the accurate prediction of the refractive index of organic polymers

NASA Astrophysics Data System (ADS)

Afzal, Mohammad Atif Faiz; Cheng, Chong; Hachmann, Johannes

2018-06-01

Organic materials with a high index of refraction (RI) are attracting considerable interest due to their potential application in optic and optoelectronic devices. However, most of these applications require an RI value of 1.7 or larger, while typical carbon-based polymers only exhibit values in the range of 1.3-1.5. This paper introduces an efficient computational protocol for the accurate prediction of RI values in polymers to facilitate in silico studies that can guide the discovery and design of next-generation high-RI materials. Our protocol is based on the Lorentz-Lorenz equation and is parametrized by the polarizability and number density values of a given candidate compound. In the proposed scheme, we compute the former using first-principles electronic structure theory and the latter using an approximation based on van der Waals volumes. The critical parameter in the number density approximation is the packing fraction of the bulk polymer, for which we have devised a machine learning model. We demonstrate the performance of the proposed RI protocol by testing its predictions against the experimentally known RI values of 112 optical polymers. Our approach to combine first-principles and data modeling emerges as both a successful and a highly economical path to determining the RI values for a wide range of organic polymers.

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.

Theory of the interface between a classical plasma and a hard wall

NASA Astrophysics Data System (ADS)

Ballone, P.; Pastore, G.; Tosi, M. P.

1983-09-01

The interfacial density profile of a classical one-component plasma confined by a hard wall is studied in planar and spherical geometries. The approach adapts to interfacial problems a modified hypernetted-chain approximation developed by Lado and by Rosenfeld and Ashcroft for the bulk structure of simple liquids. The specific new aim is to embody selfconsistently into the theory a contact theorem, fixing the plasma density at the wall through an equilibrium condition which involves the electrical potential drop across the interface and the bulk pressure. The theory is brought into fully quantitative contact with computer simulation data for a plasma confined in a spherical cavity of large but finite radius. The interfacial potential at the point of zero charge is accurately reproduced by suitably combining the contact theorem with relevant bulk properties in a simple, approximate representation of the interfacial charge density profile.

Theory of the interface between a classical plasma and a hard wall

NASA Astrophysics Data System (ADS)

Ballone, P.; Pastore, G.; Tosi, M. P.

1984-12-01

The interfacial density profile of a classical one-component plasma confined by a hard wall is studied in planar and spherical geometries. The approach adapts to interfacial problems a modified hypernetted-chain approximation developed by Lado and by Rosenfeld and Ashcroft for the bulk structure of simple liquids. The specific new aim is to embody self-consistently into the theory a “contact theorem”, fixing the plasma density at the wall through an equilibrium condition which involves the electrical potential drop across the interface and the bulk pressure. The theory is brought into fully quantitative contact with computer simulation data for a plasma confined in a spherical cavity of large but finite radius. It is also shown that the interfacial potential at the point of zero charge is accurately reproduced by suitably combining the contact theorem with relevant bulk properties in a simple, approximate representation of the interfacial charge density profile.

Phobos: Observed bulk properties

NASA Astrophysics Data System (ADS)

Pätzold, Martin; Andert, Tom; Jacobson, Robert; Rosenblatt, Pascal; Dehant, Véronique

2014-11-01

This work is a review of the mass determinations of the Mars moon Phobos by spacecraft close flybys, by solving for the Martian gravity field and by the analysis of secular orbit perturbations. The absolute value and accuracy is sensitive on the knowledge and accuracy of the Phobos ephemeris, of the spacecraft orbit, other perturbing forces acting on the spacecraft and the resolution of the Martian gravity field besides the measurement accuracy of the radio tracking data. The mass value and its error improved from spacecraft mission to mission or from the modern analysis of “old” tracking data but these solutions depend on the accuracy of the ephemeris at the time of observation. The mass value seems to settle within the range of GMPh=(7.11±0.09)×10-4 km3 s-2 which covers almost all mass values from close flybys and “distant” encounters within its 3-σ error (1.5%). Using the volume value determined from MEX HRSC imaging, the bulk density is (1873±31) kg m-3 (3-σ error or 1.7%), a low value which suggests that Phobos is either highly porous, is composed partially of light material or both. The determination of the gravity coefficients C20 and C22 from the Mars Express 2010 close flyby does not allow to draw conclusion on the internal structure. The large errors do not distinguish whether Phobos is homogeneous or not. In view of theories of the Phobos' origin, one possibility is that Phobos is not a captured asteroid but accreted from a debris disk in Mars orbit as a second generation solar system object.

Improving magnetic properties of MgB2 bulk superconductors by synthetic engine oil treatment

NASA Astrophysics Data System (ADS)

Taylan Koparan, E.; Savaskan, B.; Yanmaz, E.

2016-08-01

The present study focuses on the effects of standby time of the MgB2 samples immersed in synthetic engine oil on the critical current density (Jc(H)), magnetic field dependence of the pinning force density fp(b) and Tc performances of MgB2 bulk superconductors. Synthetic engine oil was used as a product which is cheap and a rich carbon source. Manufactured MgB2 pellet samples were immersed at different standby time of 30 min, 120 min, 300 min and 1440 min in synthetic engine oil after the first heating process. Finally, MgB2 samples immersed in synthetic engine oil were sintered at 1000 °C and kept for 15 min in Ar atmosphere. The critical current density of all of MgB2 samples immersed at different standby time in engine oil in whole field range was better than that of the pure MgB2 sample because of the number of the pinning centers. The MgB2 sample immersed at 300 min standby time in synthetic engine oil has the best performance compared to other samples. The Jc value for the pure sample is 2.0 × 103 A/cm2, whereas for the MgB2 sample immersed at 300 min standby time in engine oil the Jc is enhanced to 4.8 × 103A/cm2 at 5 K and 3 T. The superconducting transition temperature (Tc) did not change with the increasing standby time of the samples in synthetic engine oil at all. The best diamagnetic property was obtained from the sample which kept in synthetic engine oil for 300 min. Synthetic engine oil treatment results in remarkable improvement of the critical current density and pinning force performances of MgB2 superconductors. It was found that all MgB2 samples have a different pinning property at different measuring temperatures. Using synthetic engine oil as a product which is cheap and a rich carbon source in MgB2 bulk superconductors makes MgB2 samples immersed in synthetic engine oil a good candidate for industrial applications.

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.

Estimating stand structure using discrete-return lidar: an example from low density, fire prone ponderosa pine forests

USGS Publications Warehouse

Hall, S. A.; Burke, I.C.; Box, D. O.; Kaufmann, M. R.; Stoker, Jason M.

2005-01-01

The ponderosa pine forests of the Colorado Front Range, USA, have historically been subjected to wildfires. Recent large burns have increased public interest in fire behavior and effects, and scientific interest in the carbon consequences of wildfires. Remote sensing techniques can provide spatially explicit estimates of stand structural characteristics. Some of these characteristics can be used as inputs to fire behavior models, increasing our understanding of the effect of fuels on fire behavior. Others provide estimates of carbon stocks, allowing us to quantify the carbon consequences of fire. Our objective was to use discrete-return lidar to estimate such variables, including stand height, total aboveground biomass, foliage biomass, basal area, tree density, canopy base height and canopy bulk density. We developed 39 metrics from the lidar data, and used them in limited combinations in regression models, which we fit to field estimates of the stand structural variables. We used an information–theoretic approach to select the best model for each variable, and to select the subset of lidar metrics with most predictive potential. Observed versus predicted values of stand structure variables were highly correlated, with r2 ranging from 57% to 87%. The most parsimonious linear models for the biomass structure variables, based on a restricted dataset, explained between 35% and 58% of the observed variability. Our results provide us with useful estimates of stand height, total aboveground biomass, foliage biomass and basal area. There is promise for using this sensor to estimate tree density, canopy base height and canopy bulk density, though more research is needed to generate robust relationships. We selected 14 lidar metrics that showed the most potential as predictors of stand structure. We suggest that the focus of future lidar studies should broaden to include low density forests, particularly systems where the vertical structure of the canopy is important, such as fire prone forests.

Endolithic Boring Enhance the Deep-sea Carbonate Lithification on the Southwest Indian Ridge

NASA Astrophysics Data System (ADS)

Peng, X.; Xu, H.

2017-12-01

Deep-sea carbonates represent an important type of sedimentary rock due to their effect on the composition of upper oceanic crust and their contribution to deep-sea geochemical cycles. However, the lithification of deep-sea carbonates at the seafloor has remained a mystery for many years. A large lithified carbonate area, characterized by thriving benthic faunas and tremendous amount of endolithic borings, was discovered in 2008, blanketed on the seafloor of ultraslow spreading Southwest Indian Ridge (SWIR). Macrofaunal inhabitants including echinoids, polychaetes, gastropods as well as crustaceans, are abundant in the sample. The most readily apparent feature of the sample is the localized enhancement of density around the borings. The boring features of these carbonate rocks and factors that may enhance deep-sea carbonate lithification are reported. The δ13CPDB values of 46 bulk samples are -0.37 to 1.86‰, while these samples have a relatively narrow δ18OPDB range of 1.35 to 3.79‰. The bulk δ13CPDB values of chalk and gray excrements are positively correlated with bulk δ18OPDB values (r = 0.91) (Fig. 8), which reflects that endolithic boring is possibly a critical factor influence the lithification. We suggest that active boring may trigger the dissolution of the original calcite and thus accelerate deep-sea carbonate lithification on mid-ocean ridges. Our study reports an unfamiliar phenomenon of non-burial carbonate lithification and interested by the observation that it is often associated with boring feature. These carbonate rocks may provide a novel mechanism for deep-sea carbonate lithification at the deep-sea seafloor and also illuminate the geological and biological importance of deep-sea carbonate rocks on mid-ocean ridges.

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.

Accurate prediction of the refractive index of polymers using first principles and data modeling

NASA Astrophysics Data System (ADS)

Afzal, Mohammad Atif Faiz; Cheng, Chong; Hachmann, Johannes

Organic polymers with a high refractive index (RI) have recently attracted considerable interest due to their potential application in optical and optoelectronic devices. The ability to tailor the molecular structure of polymers is the key to increasing the accessible RI values. Our work concerns the creation of predictive in silico models for the optical properties of organic polymers, the screening of large-scale candidate libraries, and the mining of the resulting data to extract the underlying design principles that govern their performance. This work was set up to guide our experimentalist partners and allow them to target the most promising candidates. Our model is based on the Lorentz-Lorenz equation and thus includes the polarizability and number density values for each candidate. For the former, we performed a detailed benchmark study of different density functionals, basis sets, and the extrapolation scheme towards the polymer limit. For the number density we devised an exceedingly efficient machine learning approach to correlate the polymer structure and the packing fraction in the bulk material. We validated the proposed RI model against the experimentally known RI values of 112 polymers. We could show that the proposed combination of physical and data modeling is both successful and highly economical to characterize a wide range of organic polymers, which is a prerequisite for virtual high-throughput screening.

Bismuth Titanate Fabricated by Spray-on Deposition and Microwave Sintering For High-Temperature Ultrasonic Transducers.

PubMed

Searfass, Clifford T; Pheil, C; Sinding, K; Tittmann, B R; Baba, A; Agrawal, D K

2016-01-01

Thick films of ferroelectric bismuth titanate (Bi4Ti3O12) have been fabricated by spray-on deposition in conjunction with microwave sintering for use as high-temperature ultrasonic transducers. The elastic modulus, density, permittivity, and conductivity of the films were characterized. Electro-mechanical properties of the films were estimated with a commercial d33 meter which gave 16 pC/N. This value is higher than typically reported for bulk bismuth titanate; however, these films withstand higher field strengths during poling which is correlated with higher d33 values. Films were capable of operating at 650 °C for roughly 5 min before depoling and can operate at 600 °C for at least 7 days.

Large-scale structure from cosmic-string loops in a baryon-dominated universe

NASA Technical Reports Server (NTRS)

Melott, Adrian L.; Scherrer, Robert J.

1988-01-01

The results are presented of a numerical simulation of the formation of large-scale structure in a universe with Omega(0) = 0.2 and h = 0.5 dominated by baryons in which cosmic strings provide the initial density perturbations. The numerical model yields a power spectrum. Nonlinear evolution confirms that the model can account for 700 km/s bulk flows and a strong cluster-cluster correlation, but does rather poorly on smaller scales. There is no visual 'filamentary' structure, and the two-point correlation has too steep a logarithmic slope. The value of G mu = 4 x 10 to the -6th is significantly lower than previous estimates for the value of G mu in baryon-dominated cosmic string models.

Disorder Effects in Charge Transport and Spin Response of Topological Insulators

NASA Astrophysics Data System (ADS)

Zhao, Lukas Zhonghua

Topological insulators are a class of solids in which the non-trivial inverted bulk band structure gives rise to metallic surface states that are robust against impurity backscattering. First principle calculations predicted Bi2Te3, Sb2Te3 and Bi2Se3 to be three-dimensional (3D) topological insulators with a single Dirac cone on the surface. The topological surface states were subsequently observed by angle-resolved photoemission (ARPES) and scanning tunneling microscopy (STM). The investigations of charge transport through topological surfaces of 3D topological insulators, however, have faced a major challenge due to large charge carrier densities in the bulk donated by randomly distributed defects such as vacancies and antisites. This bulk disorder intermixes surface and bulk conduction channels, thereby complicating access to the low-energy (Dirac point) charge transport or magnetic response and resulting in the relatively low measured carrier mobilities. Moreover, charge inhomogeneity arising from bulk disorder can result in pronounced nanoscale spatial fluctuations of energy on the surface, leading to the formation of surface `puddles' of different carrier types. Great efforts have been made to combat the undesirable effects of disorder in 3D topological insulators and to reduce bulk carriers through chemical doping, nanostructure fabrication, and electric gating. In this work we have developed a new way to reduce bulk carrier densities using high-energy electron irradiation, thereby allowing us access to the topological surface quantum channels. We also found that disorder in 3D topological insulators can be beneficial. It can play an important part in enabling detection of unusual magnetic response from Dirac fermions and in uncovering new excitations, namely surface superconductivity in Dirac `puddles'. In Chapter 3 we show how by using differential magnetometry we could probe spin rotation in the 3D topological material family (Bi2Se 3, Bi2Te3 and Sb2Te3), and describe our detection of paramagnetic singularity in the magnetic susceptibility at low magnetic fields that persists up to room temperature, and which we have demonstrated to arise from the surfaces of the samples. The singularity is universal to the entire family, largely independent of the bulk carrier density, and consistent with the existence of electronic states near the spin-degenerate Dirac point of the 2D helical metal. The exceptional thermal stability of the signal points to an intrinsic surface cooling process, probably of thermoelectric organ, and establishes a sustainable platform for the singular field-tunable Dirac spin response. In Chapter 4 we describe our discovery of surface superconductivity in a hole-conducting topological insulator Sb2Te3 with transition to zero resistance induced through a minor tuning of growth chemistry that depletes bulk conduction channels. The depletion shifts Fermi energy towards the Dirac point as witnessed by over two orders of magnitude reduced bulk hole density and by the largest carrier mobility (~ 25,000 cm 2 V-1 s-1) found in any topological material. Direct evidence from transport, the unprecedentedly large diamagnetic screening, and the presence of up to ~ 25 meV gaps in differential conductance detected by scanning tunneling spectroscopy (STM) reveal the superconducting condensate to emerge first in surface puddles at unexpectedly high temperature, near 50 K. Percolative Josephson paths mediated by diffusing quasiparticles establish global phase coherence around 9 K. Rich structure of this state lends itself to manipulation and tuning via growth conditions and the topological material's parameters such as Fermi velocity and mean free path. In Chapter 5 we describe a new approach we have developed to reaching stable charge neutrality in 3D topological materials. The technique uses swift (~ 2.5 MeV energy) electron beams to compensate charged bulk defects and bring the Fermi level back into the bulk gap. By controlling the beam fluence we could tune bulk conductivity from p- (hole-like) to n-type (electron-like), crossing the Dirac point and back, while preserving the robust topological signatures of surface channels. We establish that at charge neutrality conductance has a two-dimensional (2D) character with a minimum value on the order of ten conductance quanta G=e 2 /h. From quantum interference contribution to 2D conductance we demonstrate in two systems, Bi2Te3 and Bi2Se 3, that at charge neutrality only two quantum channels corresponding to two topological surfaces are present. The charge neutrality point achieved using electron irradiation with long penetration range shows a route to intrinsic quantum transport of the topological states unconstrained by the bulk size.

[Application of quality by design in granulation process for Ginkgo leaf tablet (Ⅲ)： process control strategy based on design space].

PubMed

Cui, Xiang-Long; Xu, Bing; Sun, Fei; Dai, Sheng-Yun; Shi, Xin-Yuan; Qiao, Yan-Jiang

2017-03-01

In this paper, under the guidance of quality by design (QbD) concept, the control strategy of the high shear wet granulation process of the ginkgo leaf tablet based on the design space was established to improve the process controllability and product quality consistency. The median granule size (D50) and bulk density (Da) of granules were identified as critical quality attributes (CQAs) and potential critical process parameters (pCPPs) were determined by the failure modes and effect analysis (FMEA). The Plackeet-Burmann experimental design was used to screen pCPPs and the results demonstrated that the binder amount, the wet massing time and the wet mixing impeller speed were critical process parameters (CPPs). The design space of the high shear wet granulation process was developed within pCPPs range based on the Box-Behnken design and quadratic polynomial regression models. ANOVA analysis showed that the P-values of model were less than 0.05 and the values of lack of fit test were more than 0.1, indicating that the relationship between CQAs and CPPs could be well described by the mathematical models. D₅₀ could be controlled within 170 to 500 μm, and the bulk density could be controlled within 0.30 to 0.44 g•cm⁻³ by using any CPPs combination within the scope of design space. Besides, granules produced by process parameters within the design space region could also meet the requirement of tensile strength of the ginkgo leaf tablet.. Copyright© by the Chinese Pharmaceutical Association.

The bonding, charge distribution, spin ordering, optical, and elastic properties of four MAX phases Cr{sub 2}AX (A = Al or Ge, X = C or N): From density functional theory study

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

Li, Neng, E-mail: lineng@umkc.edu; Department of Physics and Astronomy, University of Missouri-Kansas City, Kansas City, Missouri 64110; Mo, Yuxiang

2013-11-14

In this work, we assess a full spectrum of properties (chemical bonding, charge distribution, spin ordering, optical, and elastic properties) of Cr{sub 2}AC (A = Al, Ge) and their hypothetical nitride counterparts Cr{sub 2}AN (A = Al, Ge) based on density functional theory calculations. The calculated total energy values indicate that a variety of spin ordering of these four compounds depending on interlayer-interactions between M-A and M-X within the sublattice, which is supported by bonding analysis. MAX phase materials are discovered to possess exotic magnetic properties which indicates that these materials could serve as promising candidates for novel layered magnetic materials for various electronicmore » and spintronic applications. Further analysis of optical properties for two polarization vectors of Cr{sub 2}AX shows that the reflectivity is high in the visible-ultraviolet region up to ∼15 eV suggesting Cr{sub 2}AX as a promising candidate for use as a coating material. The elastic coefficients (C{sub ij}) and bulk mechanical properties [bulk modulus (K), shear modulus (G), Young's modulus (E), Poisson's ratio (η), and Pugh ratio (G/K)] of these four Cr{sub 2}AX compounds are also calculated and analyzed, which pave the way to predict or design new MAX phases that are less brittle or tougher by having a lower G/K value or higher η.« less

Facilitated fabrication of high strength silica aerogels using cellulose nanofibrils as scaffold.

PubMed

Fu, Jingjing; Wang, Siqun; He, Chunxia; Lu, Zexiang; Huang, Jingda; Chen, Zhilin

2016-08-20

Monolithic cellulose nanofibrils (CNF)-silica composite aerogels were successfully prepared by immersing CNF aerogels into a silica solution in a two-step sol-gel process (initial hydrolysis of tetraethyl orthosilicate (TEOS) followed by condensation of silica particles). Aerogels were characterized by SEM, BET surface area test, bulk density and silica content analysis, FTIR spectroscopy, and compression test. The form of SiO2 existing in the composite aerogel was the spherical individual particles coated on CNF fibrils. The pH value of condensation solution was found to have great influence on the properties of the composite aerogels. By varying the pH value of condensation atmosphere from 8 to 12, the bulk densities of composite aerogels were able to be linearly increased from 0.059gcm(-3) to 0.29gcm(-3)，and the silica content in the matrix sharply jumped from 3wt% to 79wt%. The porosities of the aerogels remained very high, between 85 and 96%, and the surface area of the composite aerogel reached up to 700.1m(2)g(-1). The compression properties of the composite aerogel improved greatly compared with those of the silica aerogel, about 8-30 times higher. Moreover, the compressive strength of the composite aerogel prepared in this work greatly exceeded the conventional insulation materials found in the recent commercial market, and without substantial increases in thermal conductivity. Hence, the findings of this research offer a promising application for composite aerogels and give a theoretical basis for developing new advanced materials. Copyright © 2016 Elsevier Ltd. All rights reserved.

Effect of cocoa bran on low-density lipoprotein oxidation and fecal bulking.

PubMed

Jenkins, D J; Kendall, C W; Vuksan, V; Vidgen, E; Wong, E; Augustin, L S; Fulgoni, V

Legumes have reported benefits in terms of reduced risk for coronary heart disease and of colonic health. A novel legume fiber, cocoa bran, also may have favorable health effects on serum lipid levels, low-density lipoprotein (LDL) cholesterol oxidation, and fecal bulk. Twenty-five healthy normolipidemic subjects (13 men and 12 women) (mean +/- SEM age, 37 +/- 2 years; mean +/- SEM body mass index [calculated as weight in kilograms divided by the square of height in meters], 24.6 +/- 0.7) ate cocoa-bran and chocolate-flavored low-fiber breakfast cereals for 2-week periods, with 2-week washout, in a double-blind crossover study. The cocoa-bran cereal provided 25.0 g/d of total dietary fiber (TDF). The low-fiber cereal (5.6 g/d TDF) was of similar appearance and energy value. Fasting blood samples were obtained at the start and end of each period, and 4-day fecal collections were made from days 11 through 14. High-density lipoprotein (HDL) cholesterol level was higher (7.6% +/- 2.9%; P =.02) and the LDL/HDL cholesterol ratio was lower (6.7% +/- 2.3%; P =.007) for cocoa-bran compared with low-fiber cereal at 2 weeks. No effect was seen on LDL cholesterol oxidation. Mean fecal output was significantly higher for cocoa-bran than for low-fiber cereal (56 +/- 14 g/d; P<.001) and equal to the increase seen in the same subjects with wheat fiber in a previous study. A chocolate-flavored cocoa-bran cereal increased fecal bulk similarly to wheat bran and was associated with a reduction in the LDL/HDL cholesterol ratio. In view of the low-fat, high-fiber nature of the material, these results suggest a possible role for this novel fiber source in the diets of normal, hyperlipidemic, and constipated subjects.

Confined disordered strictly jammed binary sphere packings

NASA Astrophysics Data System (ADS)

Chen, D.; Torquato, S.

2015-12-01

Disordered jammed packings under confinement have received considerably less attention than their bulk counterparts and yet arise in a variety of practical situations. In this work, we study binary sphere packings that are confined between two parallel hard planes and generalize the Torquato-Jiao (TJ) sequential linear programming algorithm [Phys. Rev. E 82, 061302 (2010), 10.1103/PhysRevE.82.061302] to obtain putative maximally random jammed (MRJ) packings that are exactly isostatic with high fidelity over a large range of plane separation distances H , small to large sphere radius ratio α , and small sphere relative concentration x . We find that packing characteristics can be substantially different from their bulk analogs, which is due to what we term "confinement frustration." Rattlers in confined packings are generally more prevalent than those in their bulk counterparts. We observe that packing fraction, rattler fraction, and degree of disorder of MRJ packings generally increase with H , though exceptions exist. Discontinuities in the packing characteristics as H varies in the vicinity of certain values of H are due to associated discontinuous transitions between different jammed states. When the plane separation distance is on the order of two large-sphere diameters or less, the packings exhibit salient two-dimensional features; when the plane separation distance exceeds about 30 large-sphere diameters, the packings approach three-dimensional bulk packings. As the size contrast increases (as α decreases), the rattler fraction dramatically increases due to what we call "size-disparity" frustration. We find that at intermediate α and when x is about 0.5 (50-50 mixture), the disorder of packings is maximized, as measured by an order metric ψ that is based on the number density fluctuations in the direction perpendicular to the hard walls. We also apply the local volume-fraction variance στ2(R ) to characterize confined packings and find that these packings possess essentially the same level of hyperuniformity as their bulk counterparts. Our findings are generally relevant to confined packings that arise in biology (e.g., structural color in birds and insects) and may have implications for the creation of high-density powders and improved battery designs.

Development of bulk density, total C distribution and OC saturation in fine mineral fractions during paddy soil evolution

NASA Astrophysics Data System (ADS)

Wissing, Livia; Kölbl, Angelika; Cao, Zhi-Hong; Kögel-Knabner, Ingrid

2010-05-01

Paddy soils are described as important accumulator for OM (Zhang and He, 2004). In southeast China, paddy soils have the second highest OM stocks (Zhao et al, 1997) and thus a large proportion of the terrestrial carbon is conserved in wetland rice soils. The paddy soil management is believed to be favorable for accumulation of organic matter, as its content in paddy soils is statistically higher than that of non-paddy soils (Cai, 1996). However, the mechanism of OM storage and the development of OM distribution during paddy soil evolution is largely unknown. The aim of the project is to identify the role of organo-mineral complexes for the stabilization of organic carbon during management-induced paddy soil formation in a chronosequence ranging from 50 to 2000 years of paddy soil use. The soil samples were analysed for bulk density, total organic carbon (TOC) and total inorganic carbon (TIC) concentrations of bulk soils and the concentration of organic carbon as well as the organic carbon stocks of physical soil fractions. First results indicate distinctly different depth distributions between paddy and non-paddy (control) sites. The paddy soils are characterized by relatively low bulk densities in the puddled layer (between 0.9 and 1.3 g cm-3) and high values in the plough pan (1.4 to 1.6 g cm-3) and the non-paddy soils by relatively homogeneous values throughout the profiles (1.3 to 1.4 g cm-3). In contrast to the carbonate-rich non-paddy sites, we found a significant loss of carbonates during paddy soil formation, resulting in decalcification of the upper 20 cm after 100 yr of paddy soil use, and decalcification of the total soil profile in 700, 1000 and 2000 yr old paddy soils. The calculation of the organic carbon stocks of each horizon indicate that paddy sites always have higher values in topsoils compared to non-paddy sites, and show increasing values with increasing soil age. The capacity of fine mineral fractions to preserve OC was calculated according to Hassink (1997). The potential capacity of paddy soil fraction to preserve OC is independently from soil age between 30 and 35.4 g OC (kg soil)-1. However, the calculated saturation level increases from 11.7 to 19.9 g OC (kg soil)-1 from 50 to 2000 y old paddy sites respectively. With increasing duration of paddy soil use, the fine fractions indicate an increasing saturation level from 33.1% to 56.2% of the potential capacity to preserve OC. This underlines the importance of fine fractions for increasing OC storage during paddy soil evolution. Conclusively, paddy soil management leads to an accelerated soil development compared to non-irrigated cropland sites. In addition, increasing OC stocks, especially in the fine mineral associated OM fractions underline the relevance of paddy soil management for OC sequestration. References Cai Z. (1996). Effect of land use on organic carbon storage in soils in eastern China. Water Air Soil Pollut 91, 383-393. Hassink J. (1997). The capacity of soil to preserve organic C and N by their association with clay and silt particles. Plant and Soil 191, 77-87. Zhang M., He Z. (2004). Long-term changes in organic carbon and nutrients of an Ultisol under rice cropping in southeast China. Geoderma 118, 167-179. Zhao C. (1996). Effect of land use on organic carbon storage in soils in eastern China. Water Air Soil Pollut 91, 383-393.

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.

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

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.

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).

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.

Molecular dynamics simulations of zinc oxide solubility: From bulk down to nanoparticles

DOE PAGES

Escorihuela, Laura; Fernández, Alberto; Rallo, Robert; ...

2017-07-20

The solubility of metal oxides is one of the key descriptors for the evaluation of their potential toxic effects, both in the bulk form and in nanoparticulated aggregates. This work presents a new methodology for the in silico assessment of the solubility of metal oxides, which is demonstrated using a well-studied system, ZnO. The calculation of the solubility is based on statistical thermodynamics tools combined with Density Functional Tight Binding theory for the evaluation of the free energy exchange during the dissolution process. We used models of small ZnO clusters to describe the final dissolved material, since the complete ionicmore » dissolution of ZnO is hindered by the formation of O 2- anions in solution, which are highly unstable. Results show very good agreement between the computed solubility values and experimental data for ZnO bulk, up to 0.5 mg L -1 and equivalents of 50 μg L -1 for the free Zn 2+ cation in solution. However, the reference model for solid nanoparticles formed by free space nanoparticles can only give a limited quantitative solubility evaluation for ZnO nanoparticles.« less

Molecular dynamics simulations of zinc oxide solubility: From bulk down to nanoparticles

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

Escorihuela, Laura; Fernández, Alberto; Rallo, Robert

The solubility of metal oxides is one of the key descriptors for the evaluation of their potential toxic effects, both in the bulk form and in nanoparticulated aggregates. Current work presents a new methodology for the in silico assessment of the solubility of metal oxides, which is demonstrated using a well-studied system, ZnO. The calculation of the solubility is based on statistical thermodynamics tools combined with Density Functional Tight Binding theory for the evaluation of the free energy exchange during the dissolution process. Models of small ZnO clusters are used for describing the final dissolved material, since the complete ionicmore » dissolution of ZnO is hindered by the formation of O2- anions in solution, which are highly unstable. Results show very good agreement between the computed solubility values and experimental data for ZnO bulk, up to 0.5 mg·L-1 and equivalents of 50 g·L-1 for the free Zn2+ cation in solution. However, the reference model for solid nanoparticles formed by free space nanoparticles can only give a limited quantitative solubility evaluation for ZnO nanoparticles.« less

Antimonene: Experiments and theory of surface conductivity

NASA Astrophysics Data System (ADS)

Palacios, Juan Jose; Ares, Pablo; Pakdel, Sahar; Paz, Wendel; Zamora, Felix; Gomez-Herrero, Julio

Very recently antimony has been demonstrated to be amenable to standard exfoliation procedures opening the possibility of studying the electronic properties of isolated few-layers flakes of this material, a.k.a. antimonene. Antimony is a topological semimetal, meaning that its electronic structure presents spin-split helical states (or Dirac cones) on the surface, but it is still trivially metallic in bulk. Antimonene, on the other hand, may present a much reduced electronic bulk contribution for a small number of layers. A novel technique to make electrical contacts on the surface of individual thin flakes (5-10 monolayers) has allowed us to measure the (surface) conductivity of these in ambient conditions. Our measurements show a high conductivity in the range of 1 - 2e2 / h , which we attribute to the surface Dirac electrons. We have also carried out theoretical work to address the origin of this value, in particular, the importance of scattering between the Dirac electrons and the bulk bands. Our calculations are based on density functional theory for the electronic structure and Kubo formalism for the conductivity, the latter considering random disorder and the presence of water. Ministerio de Economia y Competitividad, Grant FIS2016-80434-P.

Molecular dynamics simulations of zinc oxide solubility: From bulk down to nanoparticles

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

Escorihuela, Laura; Fernández, Alberto; Rallo, Robert

The solubility of metal oxides is one of the key descriptors for the evaluation of their potential toxic effects, both in the bulk form and in nanoparticulated aggregates. This work presents a new methodology for the in silico assessment of the solubility of metal oxides, which is demonstrated using a well-studied system, ZnO. The calculation of the solubility is based on statistical thermodynamics tools combined with Density Functional Tight Binding theory for the evaluation of the free energy exchange during the dissolution process. We used models of small ZnO clusters to describe the final dissolved material, since the complete ionicmore » dissolution of ZnO is hindered by the formation of O 2- anions in solution, which are highly unstable. Results show very good agreement between the computed solubility values and experimental data for ZnO bulk, up to 0.5 mg L -1 and equivalents of 50 μg L -1 for the free Zn 2+ cation in solution. However, the reference model for solid nanoparticles formed by free space nanoparticles can only give a limited quantitative solubility evaluation for ZnO nanoparticles.« less

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.

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

Chauhan, Aditya; Patel, Satyanarayan; Vaish, Rahul, E-mail: rahul@iitmandi.ac.in

With the advent of modern power electronics, embedded circuits and non-conventional energy harvesting, the need for high performance capacitors is bound to become indispensible. The current state-of-art employs ferroelectric ceramics and linear dielectrics for solid state capacitance. However, lead-free ferroelectric ceramics propose to offer significant improvement in the field of electrical energy storage owing to their high discharge efficiency and energy storage density. In this regards, the authors have investigated the effects of compressive stress as a means of improving the energy storage density of lead-free ferroelectric ceramics. The energy storage density of 0.91(Bi{sub 0.5}Na{sub 0.5})TiO{sub 3}-0.07BaTiO{sub 3}-0.02(K{sub 0.5}Na{sub 0.5})NbO{submore » 3} ferroelectric bulk ceramic was analyzed as a function of varying levels of compressive stress and operational temperature .It was observed that a peak energy density of 387 mJ.cm{sup -3} was obtained at 100 MPa applied stress (25{sup o}C). While a maximum energy density of 568 mJ.cm{sup -3} was obtained for the same stress at 80{sup o}C. These values are indicative of a significant, 25% and 84%, improvement in the value of stored energy compared to an unloaded material. Additionally, material's discharge efficiency has also been discussed as a function of operational parameters. The observed phenomenon has been explained on the basis of field induced structural transition and competitive domain switching theory.« less

Comparison of the composting process using ear corn residue and three other conventional bulking agents during cow manure composting under high-moisture conditions.

PubMed

Hanajima, Dai

2014-10-01

To elucidate the characteristics of ear corn residue as a bulking agent, the composting process using this residue was compared with processes using three other conventional materials such as sawdust, wheat straw and rice husk, employing a bench-scale composting reactor. As evaluated via biochemical oxygen demand (BOD), ear corn residue contains 3.3 and 2.0 times more easily digestible materials than sawdust and rice husk, respectively. In addition, mixing ear corn residue with manure resulted in reduced bulk density, which was the same as that of wheat straw and was 0.58 and 0.67 times lower than that of sawdust and a rice husk mixture, respectively. To evaluate temperature generation during the composting process, the maximum temperature and area under the temperature curve (AUCTEMP) were compared among the mixed composts of four bulking agents. Maximum temperature (54.3°C) as well as AUCTEMP (7310°C●h) of ear corn residue were significantly higher than those of sawdust and rice husk (P<0.05), and they are similar to that of wheat straw mixed compost. Along with the value of AUCTEMP, the highest organic matter losses of 31.1% were observed in ear corn residue mixed compost, followed by wheat straw, saw dust and rice husk. © 2014 Japanese Society of Animal Science.

ZnO for solar cell and thermoelectric applications

NASA Astrophysics Data System (ADS)

Zhou, Chuanle; Ghods, Amirhossein; Yunghans, Kelcy L.; Saravade, Vishal G.; Patel, Paresh V.; Jiang, Xiaodong; Kucukgok, Bahadir; Lu, Na; Ferguson, Ian

2017-03-01

ZnO-based materials show promise in energy harvesting applications, such as piezoelectric, photovoltaic and thermoelectric. In this work, ZnO-based vertical Schottky barrier solar cells were fabricated by MOCVD de- position of ZnO thin films on ITO back ohmic contact, while Ag served as the top Schottky contact. Various rapid thermal annealing conditions were studied to modify the carrier density and crystal quality. Greater than 200 nm thick ZnO films formed polycrystalline crystal structure, and were used to demonstrate Schottky solar cells. I-V characterizations of the devices showed photovoltaic performance, but but need further development. This is the first demonstration of vertical Schottky barrier solar cell based on wide bandgap ZnO film. Thin film and bulk ZnO grown by MOCVD or melt growth were also investigated in regards to their room- temperature thermoelectric properties. The Seebeck coefficient of bulk ZnO was found to be much larger than that of thin film ZnO at room temperature due to the higher crystal quality in bulk materials. The Seebeck coefficients decrease while the carrier concentration increases due to the crystal defects caused by the charge carriers. The co-doped bulk Zn0:96Ga0:02Al0:02O showed enhanced power factors, lower thermal conductivities and promising ZT values in the whole temperature range (300-1300 K).

Band gap modulation in magnetically doped low-defect thin films of (Bi1-xSbx)2 Te3 with minimized bulk carrier concentration

NASA Astrophysics Data System (ADS)

Maximenko, Yulia; Scipioni, Kane; Wang, Zhenyu; Katmis, Ferhat; Steiner, Charles; Weis, Adam; van Harlingen, Dale; Madhavan, Vidya

Topological insulators Bi2Te3 and Sb2Te3 are promising materials for electronics, but both are naturally prone to vacancies and anti-site defects that move the Fermi energy onto the bulk bands. Fabricating (Bi1-xSbx)2 Te3 (BST) with the tuned x minimizes point defects and unmasks topological surface states by reducing bulk carriers. BST thin films have shown topological surface states and quantum anomalous Hall effect. However, different studies reported variable Sb:Bi ratios used to grow an undoped BST film. Here, we develop a reliable way to grow defect-free subnanometer-flat BST thin films having the Fermi energy tuned to the Dirac point. High-resolution scanning tunneling microscopy (STM) and Landau level spectroscopy prove the importance of crystallinity and surface roughness-not only Sb:Bi ratio-for the final bulk carrier concentration. The BST thin films were doped with Cr and studied with STM with atomic resolution. Counterintuitively, Cr density is anticorrelated with the local band gap due to Cr's antiferromagnetic order. We analyze the correlations and report the relevant band gap values. Predictably, high external magnetic field compromises antiferromagnetic order, and the local band gap increases. US DOE DE-SC0014335; Moore Found. GBMF4860; F. Seitz MRL.

Constraining the phantom braneworld model from cosmic structure sizes

NASA Astrophysics Data System (ADS)

Bhattacharya, Sourav; Kousvos, Stefanos R.

2017-11-01

We consider the phantom braneworld model in the context of the maximum turnaround radius, RTA ,max, of a stable, spherical cosmic structure with a given mass. The maximum turnaround radius is the point where the attraction due to the central inhomogeneity gets balanced with the repulsion of the ambient dark energy, beyond which a structure cannot hold any mass, thereby giving the maximum upper bound on the size of a stable structure. In this work we derive an analytical expression of RTA ,max for this model using cosmological scalar perturbation theory. Using this we numerically constrain the parameter space, including a bulk cosmological constant and the Weyl fluid, from the mass versus observed size data for some nearby, nonvirial cosmic structures. We use different values of the matter density parameter Ωm, both larger and smaller than that of the Λ cold dark matter, as the input in our analysis. We show in particular, that (a) with a vanishing bulk cosmological constant the predicted upper bound is always greater than what is actually observed; a similar conclusion holds if the bulk cosmological constant is negative (b) if it is positive, the predicted maximum size can go considerably below than what is actually observed and owing to the involved nature of the field equations, it leads to interesting constraints on not only the bulk cosmological constant itself but on the whole parameter space of the theory.

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.

Significantly enhanced critical current density in nano-MgB2 grains rapidly formed at low temperature with homogeneous carbon doping

NASA Astrophysics Data System (ADS)

Liu, Yongchang; Lan, Feng; Ma, Zongqing; Chen, Ning; Li, Huijun; Barua, Shaon; Patel, Dipak; Shahriar, M.; Hossain, Al; Acar, S.; Kim, Jung Ho; Xue Dou, Shi

2015-05-01

High performance MgB2 bulks using carbon-coated amorphous boron as a boron precursor were fabricated by Cu-activated sintering at low temperature (600 °C, below the Mg melting point). Dense nano-MgB2 grains with a high level of homogeneous carbon doping were formed in these MgB2 samples. This type of microstructure can provide a stronger flux pinning force, together with depressed volatility and oxidation of Mg owing to the low-temperature Cu-activated sintering, leading to a significant improvement of critical current density (Jc) in the as-prepared samples. In particular, the value of Jc for the carbon-coated (Mg1.1B2)Cu0.05 sample prepared here is even above 1 × 105 A cm-2 at 20 K, 2 T. The results herein suggest that the combination of low-temperature Cu-activated sintering and employment of carbon-coated amorphous boron as a precursor could be a promising technique for the industrial production of practical MgB2 bulks or wires with excellent Jc, as the carbon-coated amorphous boron powder can be produced commercially at low cost, while the addition of Cu is very convenient and inexpensive.

Effect of CNT as a Nucleating Agent on Cell Morphology and Thermal Insulation Property of the Rigid Polyurethane Foams.

PubMed

Ahn, WonSool; Lee, Joon-Man

2015-11-01

The effects of MWCNT on the cell sizes, cell uniformities, thermal conductivities, bulk densities, foaming kinetics, and compressive mechanical properties of the rigid PUFs were investigated. To obtain the better uniform dispersed state of MWCNT, grease-type master batch of MWCNT/surfactant was prepared by three-roll mill. Average cell size of the PUF samples decreased from 185.1 for the neat PUF to 162.9 μm for the sample of 0.01 phr of MWCNT concentration. Cell uniformity was also enhanced showing the standard cell-size deviation of 61.7 and 35.2, respectively. While the thermal conductivity of the neat PUF was 0.0222 W/m(o)K, that of the sample with 0.01 phr of MWCNT showed 0.0204 W/m(o)K, resulting 8.2% reduction of the thermal conductivity. Bulk density of the PUF samples was observed as nearly the same values as 30.0 ± 1.0 g/cm3 regardless of MWCNT. Temperature profiles during foaming process showed that an indirect indication of the nucleation effect of MWCNT for the PUF foaming system, showing faster and higher temperature rising with time. The compressive yield stress is nearly the same as 0.030 x 10(5) Pa regardless of MWCNT.

Coarse-grained molecular dynamics modeling of the kinetics of lamellar block copolymer defect annealing

NASA Astrophysics Data System (ADS)

Peters, Andrew J.; Lawson, Richard A.; Nation, Benjamin D.; Ludovice, Peter J.; Henderson, Clifford L.

2016-01-01

State-of-the-art block copolymer (BCP)-directed self-assembly (DSA) methods still yield defect densities orders of magnitude higher than is necessary in semiconductor fabrication despite free-energy calculations that suggest equilibrium defect densities are much lower than is necessary for economic fabrication. This disparity suggests that the main problem may lie in the kinetics of defect removal. This work uses a coarse-grained model to study the rates, pathways, and dependencies of healing a common defect to give insight into the fundamental processes that control defect healing and give guidance on optimal process conditions for BCP-DSA. It is found that bulk simulations yield an exponential drop in defect heal rate above χN˜30. Thin films show no change in rate associated with the energy barrier below χN˜50, significantly higher than the χN values found previously for self-consistent field theory studies that neglect fluctuations. Above χN˜50, the simulations show an increase in energy barrier scaling with 1/2 to 1/3 of the bulk systems. This is because thin films always begin healing at the free interface or the BCP-underlayer interface, where the increased A-B contact area associated with the transition state is minimized, while the infinitely thick films cannot begin healing at an interface.

Mass spectrometric analysis and aerodynamic properties of various types of combustion-related aerosol particles

NASA Astrophysics Data System (ADS)

Schneider, J.; Weimer, S.; Drewnick, F.; Borrmann, S.; Helas, G.; Gwaze, P.; Schmid, O.; Andreae, M. O.; Kirchner, U.

2006-12-01

Various types of combustion-related particles in the size range between 100 and 850 nm were analyzed with an aerosol mass spectrometer and a differential mobility analyzer. The measurements were performed with particles originating from biomass burning, diesel engine exhaust, laboratory combustion of diesel fuel and gasoline, as well as from spark soot generation. Physical and morphological parameters like fractal dimension, effective density, bulk density and dynamic shape factor were derived or at least approximated from the measurements of electrical mobility diameter and vacuum aerodynamic diameter. The relative intensities of the mass peaks in the mass spectra obtained from particles generated by a commercial diesel passenger car, by diesel combustion in a laboratory burner, and by evaporating and re-condensing lubrication oil were found to be very similar. The mass spectra from biomass burning particles show signatures identified as organic compounds like levoglucosan but also others which are yet unidentified. The aerodynamic behavior yielded a fractal dimension (Df) of 2.09 +/- 0.06 for biomass burning particles from the combustion of dry beech sticks, but showed values around three, and hence more compact particle morphologies, for particles from combustion of more natural oak. Scanning electron microscope images confirmed the finding that the beech combustion particles were fractal-like aggregates, while the oak combustion particles displayed a much more compact shape. For particles from laboratory combusted diesel fuel, a Df value of 2.35 was found, for spark soot particles, Df [approximate] 2.10. The aerodynamic properties of fractal-like particles from dry beech wood combustion indicate an aerodynamic shape factor [chi] that increases with electrical mobility diameter, and a bulk density of 1.92 g cm-3. An upper limit of [chi] [approximate] 1.2 was inferred for the shape factor of the more compact particles from oak combustion.

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

Impact of screw and edge dislocations on the thermal conductivity of individual nanowires and bulk GaN: a molecular dynamics study.

PubMed

Termentzidis, Konstantinos; Isaiev, Mykola; Salnikova, Anastasiia; Belabbas, Imad; Lacroix, David; Kioseoglou, Joseph

2018-02-14

We report the thermal transport properties of wurtzite GaN in the presence of dislocations using molecular dynamics simulations. A variety of isolated dislocations in a nanowire configuration are analyzed and found to considerably reduce the thermal conductivity while impacting its temperature dependence in a different manner. Isolated screw dislocations reduce the thermal conductivity by a factor of two, while the influence of edge dislocations is less pronounced. The relative reduction of thermal conductivity is correlated with the strain energy of each of the five studied types of dislocations and the nature of the bonds around the dislocation core. The temperature dependence of the thermal conductivity follows a physical law described by a T -1 variation in combination with an exponent factor that depends on the material's nature, type and the structural characteristics of the dislocation core. Furthermore, the impact of the dislocation density on the thermal conductivity of bulk GaN is examined. The variation and absolute values of the total thermal conductivity as a function of the dislocation density are similar for defected systems with both screw and edge dislocations. Nevertheless, we reveal that the thermal conductivity tensors along the parallel and perpendicular directions to the dislocation lines are different. The discrepancy of the anisotropy of the thermal conductivity grows with increasing density of dislocations and it is more pronounced for the systems with edge dislocations. Besides the fundamental insights of the presented results, these could also be used for the identification of the type of dislocations when one experimentally obtains the evolution of thermal conductivity with temperature since each type of dislocation has a different signature, or one could extract the density of dislocations with a simple measurement of thermal anisotropy.

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

Dense garnet-like Li5La3Nb2O12 solid electrolyte prepared by self-consolidation method

NASA Astrophysics Data System (ADS)

Zhao, Pengcheng; Xiang, Yu; Xu, Yan; Wen, Yuehua; Zhang, Wenfeng; Zhu, Xiayu; Li, Meng; Zhang, Sontong; Ming, Hai; Jin, Zhaoqing; Cao, Gaoping

2018-06-01

Li5La3Nb2O12 (LLNO) is a typical garnet-like solid electrolyte with solitary cubic structure. However, its ionic conductivity is relatively low due to the low relative density when prepared by cold isostatic pressing method, which usually involves high-pressure machines, poor productivity, tedious pressing operations, and low density. In this paper, self-consolidation method is developed to sinter dense LLNO electrolyte. Although not any pressing operations are employed in the entire process, the relative density of LLNO is promoted up to 95%, which is much higher than the reported values of 45-80%. SEM images reveal that the sample is built by huge particles in size of 80 μm indicating that there are few boundaries in the sample. Moreover, a rich content of Li-Al-O compounds is detected out in the boundary areas, which may act as sintering aids for the sample to consolidate automatically. According to the highest density, the bulk ionic conductivity of LLNO sample reaches up to 1.61 × 10-4 S cm-1 at 30 °C, which is in the same order of magnitude as the value of cubic Li7La3Zr2O12 electrolyte. This work verifies the self-consolidation mechanism for the sintering of ceramic electrolytes and could significantly facilitate the development of LLNO membrane technology.

Interpolation of scattered temperature data measurements onto a worldwide regular grid using radial basis functions with applications to global warming

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

Kansa, E.J.; Axelrod, M.C.; Kercher, J.R.

1994-05-01

Our current research into the response of natural ecosystems to a hypothesized climatic change requires that we have estimates of various meteorological variables on a regularly spaced grid of points on the surface of the earth. Unfortunately, the bulk of the world`s meteorological measurement stations is located at airports that tend to be concentrated on the coastlines of the world or near populated areas. We can also see that the spatial density of the station locations is extremely non-uniform with the greatest density in the USA, followed by Western Europe. Furthermore, the density of airports is rather sparse in desertmore » regions such as the Sahara, the Arabian, Gobi, and Australian deserts; likewise the density is quite sparse in cold regions such as Antarctica Northern Canada, and interior northern Russia. The Amazon Basin in Brazil has few airports. The frequency of airports is obviously related to the population centers and the degree of industrial development of the country. We address the following problem here. Given values of meteorological variables, such as maximum monthly temperature, measured at the more than 5,500 airport stations, interpolate these values onto a regular grid of terrestrial points spaced by one degree in both latitude and longitude. This is known as the scattered data problem.« less

Ab initio study of structural, elastic, and vibrational properties of transition-metal disilicides NbSi2 and TaSi2 in hexagonal C40 structure

NASA Astrophysics Data System (ADS)

Ertürk, Esra; Gürel, Tanju

2018-05-01

We present an ab initio study of structural, elastic and vibrational properties of transition-metal disilicides NbSi2 and TaSi2. The calculations have been carried out within the density-functional theory and linear-response formalism using norm-conserving pseudopotentials and a plane-wave basis. The calculated lattice parameters, bulk moduli, and elastic constants agree well with previous theoretical and experimental results. The calculated phonon frequencies at the Brillouin zone center are in good agreement with the reported Raman spectra and provide reference values for the future infrared and neutron phonon measurements. Phonon dispersion relations, mode Grüneisen parameters, and total and partial phonon density of states are also discussed. Mode Grüneisen parameters of NbSi2 and TaSi2 at Brillouin zone center show similar trends and all values are found to be positive. From phonon dispersion relations and phonon density of states, we have found a gap around 200 cm-1 for TaSi2, where the frequencies below this gap mainly belong to Ta vibrations and frequencies above the gap is mainly related with Si vibrations. In the case of NbSi2, there is no such gap and both Nb and Si atoms contribute to the phonon density of states in an energy range of 150-270 cm-1.

Dielectric properties of lava flows west of Ascraeus Mons, Mars

USGS Publications Warehouse

Carter, L.M.; Campbell, B.A.; Holt, J.W.; Phillips, R.J.; Putzig, N.E.; Mattei, S.; Seu, R.; Okubo, C.H.; Egan, A.F.

2009-01-01

The SHARAD instrument on the Mars Reconnaissance Orbiter detects subsurface interfaces beneath lava flow fields northwest of Ascraeus Mons. The interfaces occur in two locations; a northern flow that originates south of Alba Patera, and a southern flow that originates at the rift zone between Ascraeus and Pavonis Montes. The northern flow has permittivity values, estimated from the time delay of echoes from the basal interface, between 6.2 and 17.3, with an average of 12.2. The southern flow has permittivity values of 7.0 to 14.0, with an average of 9.8. The average permittivity values for the northern and southern flows imply densities of 3.7 and 3.4 g cm-3, respectively. Loss tangent values for both flows range from 0.01 to 0.03. The measured bulk permittivity and loss tangent values are consistent with those of terrestrial and lunar basalts, and represent the first measurement of these properties for dense rock on Mars. Copyright 2009 by the American Geophysical Union.

Open-Circuit Voltage Losses in Selenium-Substituted Organic Photovoltaic Devices from Increased Density of Charge-Transfer States

DOE PAGES

Sulas, Dana B.; Yao, Kai; Intemann, Jeremy J.; ...

2015-09-12

Using an analysis based on Marcus theory, we characterize losses in open-circuit voltage (V OC) due to changes in charge-transfer state energy, electronic coupling, and spatial density of charge-transfer states in a series of polymer/fullerene solar cells. Here, we use a series of indacenodithiophene polymers and their selenium-substituted analogs as electron donor materials and fullerenes as the acceptors. By combining device measurements and spectroscopic studies (including subgap photocurrent, electroluminescence, and, importantly, time-resolved photoluminescence of the charge-transfer state) we are able to isolate the values for electronic coupling and the density of charge-transfer states (NCT), rather than the more commonly measuredmore » product of these values. We find values for NCT that are surprisingly large (~4.5 × 10 21–6.2 × 10 22 cm -3), and we find that a significant increase in N CT upon selenium substitution in donor polymers correlates with lower VOC for bulk heterojunction photovoltaic devices. The increase in N CT upon selenium substitution is also consistent with nanoscale morphological characterization. Using transmission electron microscopy, selected area electron diffraction, and grazing incidence wide-angle X-ray scattering, we find evidence of more intermixed polymer and fullerene domains in the selenophene blends, which have higher densities of polymer/fullerene interfacial charge-transfer states. Our results provide an important step toward understanding the spatial nature of charge-transfer states and their effect on the open-circuit voltage of polymer/fullerene solar cells« less

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.

Dynamic behavior of the interface of striplike structures in driven lattice gases

NASA Astrophysics Data System (ADS)

Saracco, Gustavo P.; Albano, Ezequiel V.

2008-09-01

In this work, the dynamic behavior of the interfaces in both the standard and random driven lattice gas models (DLG and RDLG, respectively) is investigated via numerical Monte Carlo simulations in two dimensions. These models consider a lattice gas of density ρ=1/2 with nearest-neighbor attractive interactions between particles under the influence of an external driven field applied along one fixed direction in the case of the DLG model, and a randomly varying direction in the case of the RDLG model. The systems are also in contact with a reservoir at temperature T . Those systems undergo a second-order nonequilibrium phase transition between an ordered state characterized by high-density strips crossing the sample along the driving field, and a quasilattice gas disordered state. For T≲Tc , the average interface width of the strips (W) was measured as a function of the lattice size and the anisotropic shape factor. It was found that the saturation value Wsat2 only depends on the lattice size parallel to the external field axis Ly and exhibits two distinct regimes: Wsat2∝lnLy for low temperatures, that crosses over to Wsat2∝Ly2αI near the critical zone, αI=1/2 being the roughness exponent of the interface. By using the relationship αI=1/(1+ΔI) , the anisotropic exponent for the interface of the DLG model was estimated, giving ΔI≃1 , in agreement with the computed value for anisotropic bulk exponent ΔB in a recently proposed theoretical approach. At the crossover region between both regimes, we observed indications of bulk criticality. The time evolution of W at Tc was also monitored and shows two growing stages: first one observes that W∝lnt for several decades, and in the following times one has W∝tβI , where βI is the dynamic exponent of the interface width. By using this value we estimated the dynamic critical exponent of the correlation length in the perpendicular direction to the external field, giving z⊥I≈4 , which is consistent with the dynamic exponent of the bulk critical transition z⊥B in both theoretical approaches developed for the standard model. A similar scenario was also observed in the RDLG model, suggesting that both models may belong to the same universality class.

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)

Natural convection heat transfer in water near its density maximum

NASA Astrophysics Data System (ADS)

Yen, Yin-Chao

1990-12-01

This monograph reviews and summarizes to date the experimental and analytical results on the effect of water density near its maximum convection, transient flow and temperature structure characteristics: (1) in a vertical enclosure; (2) in a vertical annulus; (3) between horizontal concentric cylinders; (4) in a square enclosure; (5) in a rectangular enclosure; (6) in a horizontal layer; (7) in a circular confined melt layer; and (8) in bulk water during melting. In a layer of water containing a maximum density temperature of 4 C, the onset of convection (the critical number) is found not to be a constant value as in the classical normal fluid but one that varies with the imposed thermal and hydrodynamic boundaries. In horizontal layers, a nearly constant temperature zone forms and continuously expands between the warm and cold boundaries. A minimum heat transfer exists in most of the geometries studied and, in most cases, can be expressed in terms of a density distribution parameter. The effect of this parameter on a cells formation, disappearance and transient structure is discussed, and the effect of split boundary flow on heat transfer is presented.

Elastic properties of crystalline and liquid gallium at high pressures

NASA Astrophysics Data System (ADS)

Lyapin, A. G.; Gromnitskaya, E. L.; Yagafarov, O. F.; Stal'Gorova, O. V.; Brazhkin, V. V.

2008-11-01

The elastic properties of gallium, such as the bulk modulus B, the shear modulus G, and the Poisson’s ratio σ, are investigated and the relative change in the volume is determined in the stability regions of the Ga I, Ga II, and liquid phases at pressures of up to 1.7 GPa. The observed lines of the Ga I-Ga II phase transition and the melting curves of the Ga I and Ga II phases are in good agreement with the known phase diagram of gallium; in this case, the coordinates of the Ga I-Ga II-melt triple point are determined to be 1.24 ± 0.40 GPa and 277 ± 2 K. It is shown that the Ga I-Ga II phase transition is accompanied by a considerable decrease in the moduli B (by 30%) and G (by 55%) and an increase in the density by 5.7%. The Poisson’s ratio exhibits a jump from typically covalent values of approximately 0.22-0.25 to values of approximately 0.32-0.33, which are characteristic of metals. The observed behavior of the elastic characteristics is described in the framework of the model of the phase transition from a “quasi-molecular” (partially covalent) metal state to a “normal” metal state. An increase in the Poisson’s ratio in the Ga I phase from 0.22 to 0.25 with an increase in the pressure can be interpreted as a decrease in the degree of covalence, i.e., the degree of spatial anisotropy of the electron density along the bonds, whereas the large value of the pressure derivative of the bulk modulus (equal to approximately 8) observed up to the transition to the Ga II phase or the melt is associated not only with the quasicovalent nature of the Ga I phase but also with the structural features. In view of the presence of seven neighbors for each gallium atom in the Ga I phase, the gallium lattice can be treated as a structure intermediate between typical open-packed and close-packed structures. Premelting effects, such as a flattening of the isothermal dependence of the shear modulus G( p) with increasing pressure and an increase in the slope of the isobaric dependences G( T) with increasing temperature, are revealed in the vicinity of the melting curve. The bulk modulus of liquid gallium near the melting curve proves to be rather close to the corresponding values for the normal metal Ga II.

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.

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

Viking landing sites, remote-sensing observations, and physical properties of Martian surface materials

USGS Publications Warehouse

Moore, H.J.; Jakosky, B.M.

1989-01-01

Important problems that confront future scientific exploration of Mars include the physical properties of Martian surface materials and the geologic processes that formed the materials. The design of landing spacecraft, roving vehicles, and sampling devices and the selection of landing sites, vehicle traverses, and sample sites will be, in part, guided by the physical properties of the materials. Four materials occur in the sample fields of the Viking landers: (1) drift, (2) crusty to cloddy, (3) blocky, and (4) rock. The first three are soillike. Drift materials is weak, loose, and porous. We estimate that it has a dielectric constant near 2.4 and a thermal inertia near 1 ?? 10-3 to 3 ?? 10-3 (cal cm-2 sec 1 2 K-1) because of its low bulk density, fine grain size, and small cohesion. Crusty to cloddy material is expected to have a dielectric constant near 2.8 and a thermal inertia near 4 ?? 10-3 to 7 ?? 10-3 because of its moderate bulk density and cementation of grains. Blocky material should have a dielectric constant near 3.3 and a thermal inertia near 7 ?? 10-3 to 9 ?? 10-3 because of its moderate bulk density and cementation. Common basaltic rocks have dielectric constans near 8 and thermal inertias near 30 ?? 10-3 to 60 ?? 10-3. Comparisons of estimated dielectric constants and thermal inertias of the materials at the landing sites with those obtained remotely by Earth-based radars and Viking Orbiter thermal sensors suggest that the materials at the landing sites are good analogs for materials elsewhere on Mars. Correlation of remotely estimated dielectric constant and thermal inertias indicates two modal values for paired values of dielectric constants and thermal inertias near (A) 2 and 2 ?? 10-3 and (B) 3 and 6 ?? 10-3, respectively. These two modes are comparable to the dielectric constants and thermal inertias for drift and crusty to cloddy material, respectively. Dielectric constants and thermal inertias for blocky material are larger but conistent with values in the northern plains. Our interprertations are compatible with an aeolian origin for drift and similar materials elsewhere on Mars. The postulate that moderate dielectric constants and thermal inertias larger than 3 or 4 ?? 10-3 are produced by cementation of soillike materials is partly consistent with the data. The average dielectric constant and thermal inertia and their correlation with one another suggest that most of the surface of Mars should present few difficulties to future surface exploration, but some surfaces may present difficulties for spacecraft that are not suitably designed. ?? 1989.

Comparison between the magnetic and transport critical current densities in high critical current density melt-textured yttrium barium copper-oxide

NASA Technical Reports Server (NTRS)

Gao, L.; Meng, R. L.; Xue, Y. Y.; Hor, P. H.; Chu, C. W.

1991-01-01

Using a recently developed pulsed critical current density (Jc) measuring system, the Jc of the high-Jc melt-textured YBa2Cu3O(7-delta) (Y123) bulk samples has been determined. I-V curves with a voltage resolution of 0.5 microV were obtained, and transport Jc's along the a-b plane as high as 7.2 x 10 to the 4th A/sq cm were extracted. These results are comparable to the values obtained magnetically. On the other hand, transport Jc along the c axis were found to be two orders of magnitude smaller, even though the magnetic Jc along the c axis is only about five times smaller than Jc along the a-b plane. It is suggested that for the high-temperature superconducting materials which are highly anisotropic, caution should be taken when using the nontransport magnetic methods to determine Jc.

Few layered MoO3 nano sheets-SWCNT composite thin film as supercapacitor electrode

NASA Astrophysics Data System (ADS)

Dutta, Shibsankar; Akther, Jasim; De, Sukanta

2017-05-01

The increasing demands for clean and renewable energy, the advantages of high power density, long lasting and high efficiency have made Supercapacitor as one of the major emerging energy storage device.The 2D layered metal oxide nanocomposite with SWCNT is the promising candidate for energy storage and conversion. In this work we exfoliate the crystalline bulk MoO3 by simple liquid phase exfoliation to give multi-layer MoO3 dispersed in a suitable solvent. As the electrical conductivity of MoO3 is very low so, the dispersion was used to make hybrid material with SWCNT dispersion by vacuum filtration. The SWCNT-MoO3 composite showed an areal capacitance value of 1290 µF/cm2 at 10 mV/s in PVA-H2 SO4 solid gel electrolyte. This composite based electrode provides an energy density of 0.092 µWh/cm2 and a power density of 9.54 µW/cm2 at 0.01 mA/cm2

Surface Chemical Studies on Pyrite in the Presence of Polysaccharide-Based Flotation Depressants.

PubMed

Rath; Subramanian; Pradeep

2000-09-01

The interaction of dextrin and guar gum with pyrite has been investigated through adsorption, flotation, and electrokinetic measurements. The adsorption densities of the polysaccharides onto pyrite reveal a region of higher adsorption density in the pH range 7.5-11, with a maximum around pH 10 for both polymers. The isotherms exhibit Langmuirian behavior. The adsorption density of guar gum onto pyrite is higher than that of dextrin. Electrokinetic measurements indicate a decrease in the electrophoretic mobility values in proportion to the concentration of the polymer added. Co-precipitation tests confirm polymer-ferric species interaction in the bulk solution, especially in the pH range 5.5-8.5. The pH range for higher adsorption, significant co-precipitation, and appreciable depression of pyrite encompass each other. XPS and FTIR spectroscopic studies provide evidence in support of chemical interaction between hydroxylated pyrite and the hydroxyl groups of the polymeric depressants. Copyright 2000 Academic Press.

Flexible Semitransparent Energy Harvester with High Pressure Sensitivity and Power Density Based on Laterally Aligned PZT Single-Crystal Nanowires.

PubMed

Zhao, Quan-Liang; He, Guang-Ping; Di, Jie-Jian; Song, Wei-Li; Hou, Zhi-Ling; Tan, Pei-Pei; Wang, Da-Wei; Cao, Mao-Sheng

2017-07-26

A flexible semitransparent energy harvester is assembled based on laterally aligned Pb(Zr 0.52 Ti 0.48 )O 3 (PZT) single-crystal nanowires (NWs). Such a harvester presents the highest open-circuit voltage and a stable area power density of up to 10 V and 0.27 μW/cm 2 , respectively. A high pressure sensitivity of 0.14 V/kPa is obtained in the dynamic pressure sensing, much larger than the values reported in other energy harvesters based on piezoelectric single-crystal NWs. Furthermore, theoretical and finite element analyses also confirm that the piezoelectric voltage constant g 33 of PZT NWs is competitive to the lead-based bulk single crystals and ceramics, and the enhanced pressure sensitivity and power density are substantially linked to the flexible structure with laterally aligned PZT NWs. The energy harvester in this work holds great potential in flexible and transparent sensing and self-powered systems.

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

The equation of state of n-pentane in the atomistic model TraPPE-EH

NASA Astrophysics Data System (ADS)

Valeev, B. U.; Pisarev, V. V.

2018-01-01

In this work, we study the vapor-liquid equilibrium in n-pentane. We use the TraPPE-EH (transferable potentials for phase equilibria-explicit hydrogen) forcefield, where each hydrogen and carbon atom is considered as independent center of force. The fluid behavior was investigated with different values of density and temperature by molecular dynamics method. The n-pentane evaporation curve was calculated in the temperature range of 290 to 390 K. The densities of the coexisting phases are also calculated. The compression curve at 370 K was calculated and isothermal bulk modulus was found. The simulated properties of n-pentane are in good agreement with data from a database of the National Institute of Standards and Technology, so the TraPPE-EH model can be recommended for simulations of hydrocarbons.

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.

Bulk C, H, O, and fatty acid C stable isotope analyses for purity assessment of vegetable oils from the southern and northern hemispheres.

PubMed

Spangenberg, Jorge E

2016-09-06

|The carbon, hydrogen and oxygen stable isotope composition (δ 13 C, δ 2 H, and δ 18 O values) of plants and their products is linked to photosynthetic fractionation, environmental factors and agricultural practices. Therefore, they contribute to determining the purity of commercial vegetable oils and may provide information on their geographical origin. Maize, olive, sunflower, groundnut, soybean and rice oils differing in sites of growth in the southern and northern hemispheres were characterized by bulk oil stable isotope ratios (δ 13 C bulk , δ 2 H bulk , and δ 18 O bulk values), fatty acids (FAs) concentrations and δ 13 C FA values using elemental analysis/isotope ratio mass spectrometry, gas chromatography/mass spectrometry, gas chromatography/flame ionization detection and gas chromatography/combustion/isotope ratio mass spectrometry. Principal component analysis was applied to examine the inherent structure of the data. The δ 13 C bulk values of maize oils (-18.4 to -14.9 ‰) are typical for C 4 plants, and those of olive (-30.2 to -28.2 ‰), sunflower (-30.2 to -29.2 ‰), groundnut (-29.3 ‰), soybean (-30.6 ‰), and rice (-34.5 ‰) oils are typical for C 3 plants. The δ 2 H bulk values vary from -161 to -132‰ for maize oils and -171 to -109 ‰ for C 3 oils. The δ 18 O bulk values of all oils vary between 15.2 and 38.9 ‰. The major δ 13 C FA differences (>5 ‰) within plant species render the inter-C 3 -species comparison difficult. These differences are explained in terms of variations in the lipid biosynthetic pathways and blend of vegetable oils of different FA composition and δ 13 C FA values. The samples from the southern hemisphere are generally enriched in 13 C compared with those from the northern hemisphere. Differences between the southern and northern hemispheres were observed in δ 2 H (p < 0.001) and δ 18 O bulk (p = 0.129) values for all C 3 oils, and in δ 13 C 18:1 (p = 0.026) and δ 18 O bulk (p = 0.160) values for maize oils. The results of this study show that combining bulk and molecular stable isotope ratios, fatty acid compositions and their statistical analysis helps the characterization of the geographic origin of oils. This methodology can be used to detect and source impurities in valuable vegetable oils commercialized worldwide. This article is protected by copyright. All rights reserved.

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.

Development of Single-Seed Near-Infrared Spectroscopic Predictions of Corn and Soybeans Constituents Using Bulk Teference Values and Mean Spectra

USDA-ARS?s Scientific Manuscript database

Near-Infrared reflectance spectroscopic prediction models were developed for common constituents of corn and soybeans using bulk reference values and mean spectra from single-seeds. The bulk reference model and a true single-seed model for soybean protein were compared to determine how well the bul...

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

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

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.

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.

Time-lapse 3D imaging of calcite precipitation in a microporous column

NASA Astrophysics Data System (ADS)

Godinho, Jose R. A.; Withers, Philip J.

2018-02-01

Time-lapse X-ray computed tomography is used to image the evolution of calcite precipitation during flow through microporous quartz over the course of 400 h. The growth rate decreases by more than seven times, which is linked to the clogging of flow paths that restricts flow to some regions of the column. Fewer precipitates are observed as a function of column depth, which is found to be related to a differential nucleation density along the sample. A higher nucleation density closer to the inlet implies more crystal volume increase per unit of time without affecting the rate if normalized to the surface area of crystals. Our overall growth rates measured in porous media are orders of magnitude slower than growth rates derived from traditional precipitation experiments on free surfaces. Based on our time-lapse results we hypothesize a scenario where the evolving distribution of precipitates within a pore structure during precipitation progressively modifies the local transport through the pores. Within less permeable regions the saturation index may be lower than along the main flow paths. Therefore, the reactive crystal surfaces within those regions grow at a slower rate than that expected from the bulk fluid composition. Since the amount of reactive surface area within these less permeable regions increases over time, the overall growth rate decreases without a necessary significant change of the bulk fluid composition along more permeable flow paths. In conclusion, the overall growth rates in an evolving porous media expected from bulk fluid compositions alone can be overestimated due to the development of stagnant sub-regions where the reactive surface area is bath by a solution with lower saturation index. In this context we highlight the value of time-lapse 3D studies for understanding the dynamics of mineral precipitation in porous media.

Structures and Energetics of (MgCO 3 ) n Clusters ( n ≤ 16)

DOE PAGES

Chen, Mingyang; Jackson, Virgil E.; Felmy, Andrew R.; ...

2015-03-13

There is significant interest in the role of carbonate minerals for the storage of CO 2 and the role of prenucleation dusters in their formation. Global minima for (MgCO 3) n (n ≤ 16) structures were optimized using a tree growth-hybrid genetic algorithm in conjunction with MNDO/MNDO/d semiempirical molecular orbital calculations followed by density functional theory geometry optimizations with the B3LYP functional. The most stable isomers for (MgCO 3) n (n < 5) are approximately 2-dimensional. Mg can be bonded to one or two 0 atoms of a CO 3 2-, and the 1-O bonding scheme is more favored asmore » the cluster becomes larger. The average C-Mg coordination number increases as the cluster size increases, and at n = 16, the average C-Mg coordination number was calculated to be 5.2. The normalized dissociation energy to form monomers increases as n increases. At n = 16, the normalized dissociation energy is calculated to be 116.2 kcal/mol, as compared to the bulk value of 153.9 kcal/mol. The adiabatic reaction energies for the recombination reactions of (MgO) nclusters and CO 2 to form (MgCO 3) n were calculated. The exothermicity of the normalized recombination energy < RE >(CO 2) decreases as n increases and converged to the experimental bulk limit rapidly. The normalized recombination energy < RE >(CO 2) was calculated to be -52.2 kcal/mol for the monomer and -30.7 kcal/mol for n = 16, as compared to the experimental value of -27.9 kcal/mol for the solid phase reaction. Infrared spectra for the lowest energy isomers were calculated, and absorption bands in the previous experimental infrared studies were assigned with our density functional theory predictions. The 13C, 17O, and 25Mg NMR chemical shifts for the clusters were predicted. We found that the results provide insights into the structural and energetic transitions from nanoclusters of (MgCO 3) n to the bulk and the spectroscopic properties of clusters for their experimental identification.« less

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.

Accessing Forbidden Glass Regimes through High-Pressure Sub-Tg Annealing

PubMed Central

Svenson, Mouritz N.; Mauro, John C.; Rzoska, Sylwester J.; Bockowski, Michal; Smedskjaer, Morten M.

2017-01-01

Density and hardness of glasses are known to increase upon both compression at the glass transition temperature (Tg) and ambient pressure sub-Tg annealing. However, a serial combination of the two methods does not result in higher density and hardness, since the effect of compression is countered by subsequent annealing and vice versa. In this study, we circumvent this by introducing a novel treatment protocol that enables the preparation of high-density, high-hardness bulk aluminosilicate glasses. This is done by first compressing a sodium-magnesium aluminosilicate glass at 1 GPa at Tg, followed by sub-Tg annealing in-situ at 1 GPa. Through density, hardness, and heat capacity measurements, we demonstrate that the effects of hot compression and sub-Tg annealing can be combined to access a “forbidden glass” regime that is inaccessible through thermal history or pressure history variation alone. We also study the relaxation behavior of the densified samples during subsequent ambient pressure sub-Tg annealing. Density and hardness are found to relax and approach their ambient condition values upon annealing, but the difference in relaxation time of density and hardness, which is usually observed for hot compressed glasses, vanishes for samples previously subjected to high-pressure sub-Tg annealing. This confirms the unique configurational state of these glasses. PMID:28418017

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

Bianchi I cosmology in the presence of a causally regularized viscous fluid

NASA Astrophysics Data System (ADS)

Montani, Giovanni; Venanzi, Marta

2017-07-01

We analyze the dynamics of a Bianchi I cosmology in the presence of a viscous fluid, causally regularized according to the Lichnerowicz approach. We show how the effect induced by shear viscosity is still able to produce a matter creation phenomenon, meaning that also in the regularized theory we address, the Universe is emerging from a singularity with a vanishing energy density value. We discuss the structure of the singularity in the isotropic limit, when bulk viscosity is the only retained contribution. We see that, as far as viscosity is not a dominant effect, the dynamics of the isotropic Universe possesses the usual non-viscous power-law behaviour but in correspondence to an effective equation of state, depending on the bulk viscosity coefficient. Finally, we show that, in the limit of a strong non-thermodynamical equilibrium of the Universe mimicked by a dominant contribution of the effective viscous pressure, a power-law inflation behaviour of the Universe appears, the cosmological horizons are removed and a significant amount of entropy is produced.

Quasiparticle band gap in the topological insulator Bi2Te3

NASA Astrophysics Data System (ADS)

Nechaev, I. A.; Chulkov, E. V.

2013-10-01

We present a theoretical study of dispersion of states that form the bulk band-gap edges in the three-dimensional topological insulator Bi2Te3. Within density functional theory, we analyze the effect of atomic positions varied within the error range of the available experimental data and approximation chosen for the exchange-correlation functional on the bulk band gap and k-space location of valence- and conduction-band extrema. For each set of the positions with different exchange-correlation functionals, we show how many-body corrections calculated within a one-shot GW approach affect the mentioned characteristics of electronic structure of Bi2Te3. We thus also illustrate to what degree the one-shot GW results are sensitive to the reference one-particle band structure in the case of bismuth telluride. We found that for this topological insulator the GW corrections enlarge the fundamental band gap and for certain atomic positions and reference band structure bring its value in close agreement with experiment.

Eigenvalue density of cross-correlations in Sri Lankan financial market

NASA Astrophysics Data System (ADS)

Nilantha, K. G. D. R.; Ranasinghe; Malmini, P. K. C.

2007-05-01

We apply the universal properties with Gaussian orthogonal ensemble (GOE) of random matrices namely spectral properties, distribution of eigenvalues, eigenvalue spacing predicted by random matrix theory (RMT) to compare cross-correlation matrix estimators from emerging market data. The daily stock prices of the Sri Lankan All share price index and Milanka price index from August 2004 to March 2005 were analyzed. Most eigenvalues in the spectrum of the cross-correlation matrix of stock price changes agree with the universal predictions of RMT. We find that the cross-correlation matrix satisfies the universal properties of the GOE of real symmetric random matrices. The eigen distribution follows the RMT predictions in the bulk but there are some deviations at the large eigenvalues. The nearest-neighbor spacing and the next nearest-neighbor spacing of the eigenvalues were examined and found that they follow the universality of GOE. RMT with deterministic correlations found that each eigenvalue from deterministic correlations is observed at values, which are repelled from the bulk distribution.

Polymer solar cells with enhanced open-circuit voltage and efficiency

NASA Astrophysics Data System (ADS)

Chen, Hsiang-Yu; Hou, Jianhui; Zhang, Shaoqing; Liang, Yongye; Yang, Guanwen; Yang, Yang; Yu, Luping; Wu, Yue; Li, Gang

2009-11-01

Following the development of the bulk heterojunction structure, recent years have seen a dramatic improvement in the efficiency of polymer solar cells. Maximizing the open-circuit voltage in a low-bandgap polymer is one of the critical factors towards enabling high-efficiency solar cells. Study of the relation between open-circuit voltage and the energy levels of the donor/acceptor in bulk heterojunction polymer solar cells has stimulated interest in modifying the open-circuit voltage by tuning the energy levels of polymers. Here, we show that the open-circuit voltage of polymer solar cells constructed based on the structure of a low-bandgap polymer, PBDTTT, can be tuned, step by step, using different functional groups, to achieve values as high as 0.76 V. This increased open-circuit voltage combined with a high short-circuit current density results in a polymer solar cell with a power conversion efficiency as high as 6.77%, as certified by the National Renewable Energy Laboratory.

Alkaline earth lead and tin compounds Ae2Pb, Ae2Sn, Ae = Ca, Sr, Ba, as thermoelectric materials

PubMed Central

Parker, David; Singh, David J

2013-01-01

We present a detailed theoretical study of three alkaline earth compounds Ca2Pb, Sr2Pb and Ba2Pb, which have undergone little previous study, calculating electronic band structures and Boltzmann transport and bulk moduli using density functional theory. We also study the corresponding tin compounds Ca2Sn, Sr2Sn and Ba2Sn. We find that these are all narrow band gap semiconductors with an electronic structure favorable for thermoelectric performance, with substantial thermopowers for the lead compounds at temperature ranges from 300 to 800 K. For the lead compounds, we further find very low calculated bulk moduli—roughly half of the values for the lead chalcogenides, suggestive of soft phonons and hence low lattice thermal conductivity. All these facts indicate that these materials merit experimental investigation as potential high performance thermoelectrics. We find good potential for thermoelectric performance in the environmentally friendly stannide materials, particularly at high temperature. PMID:27877610

Diameter dependent thermoelectric properties of individual SnTe nanowires

DOE PAGES

Xu, E. Z.; Li, Z.; Martinez, J. A.; ...

2015-01-15

The lead-free compound tin telluride (SnTe) has recently been suggested to be a promising thermoelectric material. In this work, we report on the first thermoelectric study of individual single-crystalline SnTe nanowires with different diameters ranging from ~ 218 to ~ 913 nm. Measurements of thermopower S, electrical conductivity σ and thermal conductivity κ were carried out on the same nanowires over a temperature range of 25 - 300 K. While the electrical conductivity does not show a strong diameter dependence, the thermopower increases by a factor of two when the nanowire diameter is decreased from ~ 913 nm to ~more » 218 nm. The thermal conductivity of the measured NWs is lower than that of the bulk SnTe, which may arise from the enhanced phonon - surface boundary scattering and phonon-defect scattering. Lastly, temperature dependent figure of merit ZT was determined for individual nanowires and the achieved maximum value at room temperature is about three times higher than that in bulk samples of comparable carrier density.« less

California coast nearshore processes study

NASA Technical Reports Server (NTRS)

Pirie, D. M. (Principal Investigator); Steller, D. D.

1973-01-01

The author has identified the following significant results. Remote sensor aircraft flights took place simultaneously with ERTS-1 overpasses at the San Francisco, Monterey Bay, and Santa Barbara test cells. The cameras and scanners used were configured for detecting suspended sediment and for maximum water penetration. The Ektachrome/Wratten 12 photographs which were intentionally overexposed 1-1/2 stops were found to show the most extensive sediment transport detail. Minus blue/K 2 photographs illustrate nearshore underwater bottom detail including the head of the Mugu submarine canyon. The EMSIDE 9 channel scanner was employed to classify and differentiate suspended sediment, oil, kelp, and other materials found in the nearshore area. Processing of bulk ERTS-1 computer compatible tapes was utilized to enhance and analyze nearshore sediments. This technique was most successful in enhancing subtle nearshore features found to be faint or invisible on prints made from the supplied negatives. In addition to this continuing computer process, an effort was initiated to interface density values from the bulk tapes into contouring and mapping software.

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.

Proton transfer to charged platinum electrodes. A molecular dynamics trajectory study.

PubMed

Wilhelm, Florian; Schmickler, Wolfgang; Spohr, Eckhard

2010-05-05

A recently developed empirical valence bond (EVB) model for proton transfer on Pt(111) electrodes (Wilhelm et al 2008 J. Phys. Chem. C 112 10814) has been applied in molecular dynamics (MD) simulations of a water film in contact with a charged Pt surface. A total of seven negative surface charge densities σ between -7.5 and -18.9 µC cm(-2) were investigated. For each value of σ, between 30 and 84 initial conditions of a solvated proton within a water slab were sampled, and the trajectories were integrated until discharge of a proton occurred on the charged surfaces. We have calculated the mean rates for discharge and for adsorption of solvated protons within the adsorbed water layer in contact with the metal electrode as a function of surface charge density. For the less negative values of σ we observe a Tafel-like exponential increase of discharge rate with decreasing σ. At the more negative values this exponential increase levels off and the discharge process is apparently transport limited. Mechanistically, the Tafel regime corresponds to a stepwise proton transfer: first, a proton is transferred from the bulk into the contact water layer, which is followed by transfer of a proton to the charged surface and concomitant discharge. At the more negative surface charge densities the proton transfer into the contact water layer and the transfer of another proton to the surface and its discharge occur almost simultaneously.

Thermoelectric properties of Tl and I dual-doped Bi2Te3-based alloys

NASA Astrophysics Data System (ADS)

Wu, Fang; He, Qinglin; Tang, Mingsheng; Song, Hongzhang

2018-04-01

TlxBi2‑xTe3‑xIx (x = 0, 0.05, 0.1 and 0.2) flower-like nanopowders were prepared successfully by the hydrothermal method. Then, the synthesized nanoparticles were pressed into bulks by hot-pressing. The thermoelectric (TE) properties of the TlxBi2‑xTe3‑xIx bulk samples were investigated and discussed. The results showed that the influences of Tl doping on the electrical resistivity and Seebeck coefficients of the Bi2Te3 is over that of I doping. Thus, the power factors of the dual-doped bulks are all less than that of the Bi2Te3 bulk. The thermal conductivities of the TlxBi2‑xTe3‑xIx bulk samples also remain at lower values. As a result, the ZT value of the optimized doped bulk Tl0.1Bi1.9Te2.9I0.1 attains a value of 1.1 at 398 K.

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.

Salt Marsh Ecosystem Responses to Restored Tidal Connectivity across a 14y Chronosequence

NASA Astrophysics Data System (ADS)

Capooci, M.; Spivak, A. C.; Gosselin, K.

2016-02-01

Salt marshes support valuable ecosystem services. Yet, human activities negatively impact salt marsh function and contribute to their loss at a global scale. On Cape Cod, MA, culverts and impoundments under roads and railways restricted tidal exchange and resulted in salt marsh conversion to freshwater wetlands. Over the past 14 y, these structures have been removed or replaced, restoring tidal connectivity between marshes and a saltwater bay. We evaluated differences in plant community composition, sediment properties, and pore water chemistry in marshes where tidal connectivity was restored using a space-for-time, or chronosequence approach. Each restored marsh was paired with a nearby, natural salt marsh to control for variability between marshes. In each restored and natural salt marsh we evaluated the plant community by measuring species-specific percent cover and biomass and collected sediment cores for bulk density and pore water analyses. Plant communities responded rapidly: salt-tolerant species, such as Spartina alterniflora, became established while freshwater species, including Phragmites australis, were less abundant within 3 y of restoration. The number of plant species was generally greater in marshes restored within 10 y, compared to older and natural marshes. Sediment bulk density varied with depth and across sites. This likely reflects differences in site history and local conditions. Deeper horizons (24-30cm) generally had higher values in restored sites while surface values (0-3cm) were similar in restored and natural marshes. Porewater pH and sulfide were similar in restored and natural marshes, suggesting rapid microbial responses to seawater reintroduction. Overall, marsh properties and processes reflecting biological communities responded rapidly to tidal restoration. However, variability between study locations underscores the potential importance of site history, local hydrology, and geomorphology in shaping marsh biogeochemistry.

van der Waals model for the surface tension of liquid 4He near the λ point

NASA Astrophysics Data System (ADS)

Tavan, Paul; Widom, B.

1983-01-01

We develop a phenomenological model of the 4He liquid-vapor interface. With it we calculate the surface tension of liquid helium near the λ point and compare with the experimental measurements by Magerlein and Sanders. The model is a form of the van der Waals surface-tension theory, extended to apply to a phase equilibrium in which the simultaneous variation of two order parameters-here the superfluid order parameter and the total density-is essential. The properties of the model are derived analytically above the λ point and numerically below it. Just below the λ point the superfluid order parameter is found to approach its bulk-superfluid-phase value very slowly with distance on the liquid side of the interface (the characteristic distance being the superfluid coherence length), and to vanish rapidly with distance on the vapor side, while the total density approaches its bulk-phase values rapidly and nearly symmetrically on the two sides. Below the λ point the surface tension has a |ɛ|32 singularity (ɛ~T-Tλ) arising from the temperature dependence of the spatially varying superfluid order parameter. This is the mean-field form of the more general |ɛ|μ singularity predicted by Sobyanin and by Hohenberg, in which μ (which is in reality close to 1.35 at the λ point of helium) is the exponent with which the interfacial tension between two critical phases vanishes. Above the λ point the surface tension in this model is analytic in ɛ. A singular term |ɛ|μ may in reality be present in the surface tension above as well as below the λ point, although there should still be a pronounced asymmetry. The variation with temperature of the model surface tension is overall much like that in experiment.

Basic diagnosis of solid waste generated at Agua Blanca State Park to propose waste management strategies.

PubMed

Laines Canepa, José Ramón; Zequeira Larios, Carolina; Valadez Treviño, Maria Elena Macías; Garduza Sánchez, Diana Ivett

2012-03-01

State parks are highly sensitive areas of great natural importance and tourism value. Herein a case study involving a basic survey of solid waste which was carried out in 2006 in Agua Blanca State Park, Macuspana, Tabasco, Mexico with two sampling periods representing the high and low tourist season is presented. The survey had five objectives: to find out the number of visitors in the different seasons, to consider the daily generation of solid waste from tourist activities, to determine bulk density, to select and quantify sub-products; and to suggest a possible treatment. A daily average of 368 people visited the park: 18,862 people in 14 days during the high season holiday (in just one day, Easter Sunday, up to 4425 visitors) and 2092 visitors in 43 days during the low season. The average weight of the generated solid waste was 61.267 kg day(-1) and the generated solid waste average per person was 0.155 kg person(-1 ) day(-1). During the high season, the average increased to 0.188 kg person(-1 ) day(-1) and during the low season, the average decreased to 0.144 kg person(-1 ) day(-1). The bulk density average was 75.014 kg m(-3), the maximum value was 92.472 kg m(-3) and the minimum was 68.274 kg m(-3). The sub-products comprised 54.52% inorganic matter; 32.03% organic matter, 10.60% non-recyclable and 2.85% others. Based on these results, waste management strategies such as reuse/recycling, aerobic and anaerobic digestion, the construction of a manual landfill and the employment of a specialist firm were suggested.

[Correlations between standing trees trunk decay degree and soil physical-chemical properties in Korean pine-broadleaved mixed forest in Xiao Xing'an Mountains of Northeast China].

PubMed

Sun, Tian-Yong; Wang, Li-Hai; Sun, Mo-Long

2013-07-01

Standing trees decay often causes vast loss of timber resources. To investigate the correlations between the standing trees decay and the site conditions is of importance to scientifically and reasonably manage forests and to decrease wood resources loss. By using Resistograph and meter ruler, a measurement was made on the decay degree of the trunk near root and the diameter at breast height (DBH) of 15 mature Korean pine standing trees in a Korean pine-broadleaved mixed forest in Xiao Xing' an Mountains in May, 2011. In the meantime, soil samples were collected from the root zones of standing trees and the upslope and downslope 5 meters away from the trunks, respectively. Five physical-chemical properties including moisture content, bulk density, total porosity, pH value, and organic matter content of the soil samples were tested. The regression equations concerning the trunk decay degree of the standing trees, their DBH, and the 5 soil properties were established. The results showed that the trunk decay degree of the mature Korean pine standing trees had higher correlations with the bulk density, total porosity, pH value, and organic matter content (R = 0.687), and significant positive correlation with the moisture content (R = 0.507) of the soils at the root zones of standing trees, but less correlation with the 5 properties of the soils at both upslope and downslope 5 meters away from the trunks. The trunk decay degree was decreased when the soil moisture content was below 18.4%. No significant correlation was observed between the trunk decay degree of mature Korean pine standing trees and the tree age.

Selected physical properties of rocks from the Baid al Jimalah West tungsten deposit, Kingdom of Saudi Arabia, and recommendations for geophysical surveys

USGS Publications Warehouse

Gettings, M.E.

1983-01-01

Bulk density and magnetic susceptibility of 11 outcrop samples representing the Proterozoic lithologic units at the Baid al Jimalah West tungsten deposit, Kingdom of Saudi Arabia were measured. Induced polarization response, apparent resistivity, and electromagnetic conductivity were determined for four specimens of the sample suite. Measurements show that there is a negative density contrast of about -0.17 g-cm^-3 between metasedimentary rocks of the Murdama group and the Bald al Jimalah graaite and that this contrast decreases with increasing mineralization of the granite. Similarly, the bulk magnetic susceptibility of the granite is about one-third that of the Murdama rocks for this sample suite; however, magnetic susceptibility increases with increasing mineralization in the granite specimens. Electromagnetic conductivities are uniformly low, in part because the specimens are weathered, but probably also because intense silicification accompanies the mineralization. Induced polarization chargeability increases in the granitic specimens with increasing mineralization and reflects higher percentages of sulfide minerals. Chargeability for the mineralized rocks is about four times higher than for the Murdama host rocks, and apparent resistivity values are about one-fifth the values of host rocks. Based on these results, it is recommended that during reconnaissance exploration of the area 15 detailed high-precision gravity profiles at 10 m to 50 m station spacing and eight induced polarization dipole-dipole profiles at 25 m dipole spacing and maximum 'n' of 6 be measured. To help define subsurface structure, a high-precision, ground-magnetic survey (map at 2-gamma contour interval) and a four-channel gamma ray spectrometric survey on a 25x50 m grid covering the area of the profiles are recommended.

Economic characteristics of the peat deposits of Costa Rica: preliminary study

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

Cohen, A.D. Malavassi, L.; Raymond, R. Jr.; Mora, S.

1985-01-01

Recent field and laboratory studies have established the presence of numerous extensive peat deposits in Costa Rica. Three of these were selected for initial investigation: (1) the cloud-forest histosols of the Talamanca Mountain Range; (2) the Rio Medio Queso flood plain deposits near the northern Costa Rican border; and (3) a tropical jungle swamp deposit on the northeastern coastal plain. In the Talamanca area, 29 samples were collected from eight sites. Due to the high moisture and cool temperatures of the cloud forest, the peats in this area form blanket-like deposits (generally <1 meter thick) over a wide area (>150more » km/sup 2/). These peats are all highly decomposed (avg. 28% fiber), high in ash (avg. 21%), and extensively bioturbated. Relative to all other sites visited, these peats are lowest in moisture (avg. 84%), pH (avg. 4.4), fixed carbon (avg. 23%), and sulfur (avg. 0.2%). However, they have the highest bulk densities (avg. 0.22 g/cc), volatile matter contents (avg. 55%), and nitrogen. Their heating value averaged 7700 BTUs/lb., dry. In the Rio Medio Queso area, 28 samples were collected, representing one transect of the 70 km/sup 2/ flood plain. The peats here occurred in several layers (each <1-1/2 meters thick), interfingering with river flood plain sediments. These peats have the highest calorific values (avg. 8000 BTUs/lb., dry), fixed carbon (avg. 30%), and ash (avg. 22%) and have an average pH of 5.4 and a bulk density of 0.20 g/cc. These results represent only the first part of a long-term, extensive survey of Costa Rica's peat resources. However, they suggest that large, economically-significant peat deposits may be present in this country. 5 refs., 8 figs., 4 tabs.« less

Acidity of a Cu-bound histidine in the binuclear center of cytochrome C oxidase.

PubMed

Fadda, Elisa; Chakrabarti, Nilmadhab; Pomès, Régis

2005-12-01

Cytochrome c oxidase (CcO) is a crucial enzyme in the respiratory chain. Its function is to couple the reduction of molecular oxygen, which takes place in the Fea3-CuB binuclear center, to proton translocation across the mitochondrial membrane. Although several high-resolution structures of the enzyme are known, the molecular basis of proton pumping activation and its mechanism remain to be elucidated. We examine a recently proposed scheme (J. Am. Chem. Soc. 2004, 126, 1858; FEBS Lett. 2004, 566, 126) that involves the deprotonation of the CuB-bound imidazole ring of a histidine (H291 in mammalian CcO) as a key element in the proton pumping mechanism. The central feature of that proposed mechanism is that the pKa values of the imidazole vary significantly depending on the redox state of the metals in the binuclear center. We use density functional theory in combination with continuum electrostatics to calculate the pKa values, successively in bulk water and within the protein, of the Cu-bound imidazole in various Cu- and Cu-Fe complexes. From pKas in bulk water, we derived a value of -266.34 kcal.mol(-1) for the proton solvation free energy (Delta). This estimate is in close agreement with the experimental value of -264.61 kcal.mol(-1) (J. Am. Chem. Soc. 2001, 123, 7314), which reinforces the conclusion that Delta is more negative than previous values used for pKa calculations. Our approach, on the basis of the study of increasingly more detailed models of the CcO binuclear center at different stages of the catalysis, allows us to examine successively the effect of each of the two metals' redox states and of solvation on the acidity of imidazole, whose pKa is approximately 14 in bulk water. This analysis leads to the following conclusions: first, the effect of Cu ligation on the imidazole acidity is negligible regardless of the redox state of the metal. Second, results obtained for Cu-Fe complexes in bulk water indicate that Cu-bound imidazole pKa values lie within the range of 14.8-16.6 throughout binuclear redox states corresponding to the catalytic cycle, demonstrating that the effect of the Fe oxidation states is also negligible. Finally, the low-dielectric CcO proteic environment shifts the acid-base equilibrium toward a neutral imidazole, further increasing the corresponding pKa values. These results are inconsistent with the proposed role of the Cu-bound histidine as a key element in the pumping mechanism. Limitations of continuum solvation models in pKa calculations are discussed.

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.

A novel, two-step top seeded infiltration and growth process for the fabrication of single grain, bulk (RE)BCO superconductors

NASA Astrophysics Data System (ADS)

Namburi, Devendra K.; Shi, Yunhua; Palmer, Kysen G.; Dennis, Anthony R.; Durrell, John H.; Cardwell, David A.

2016-09-01

A fundamental requirement of the fabrication of high performing, (RE)-Ba-Cu-O bulk superconductors is achieving a single grain microstructure that exhibits good flux pinning properties. The top seeded melt growth (TSMG) process is a well-established technique for the fabrication of single grain (RE)BCO bulk samples and is now applied routinely by a number of research groups around the world. The introduction of a buffer layer to the TSMG process has been demonstrated recently to improve significantly the general reliability of the process. However, a number of growth-related defects, such as porosity and the formation of micro-cracks, remain inherent to the TSMG process, and are proving difficult to eliminate by varying the melt process parameters. The seeded infiltration and growth (SIG) process has been shown to yield single grain samples that exhibit significantly improved microstructures compared to the TSMG technique. Unfortunately, however, SIG leads to other processing challenges, such as the reliability of fabrication, optimisation of RE2BaCuO5 (RE-211) inclusions (size and content) in the sample microstructure, practical oxygenation of as processed samples and, hence, optimisation of the superconducting properties of the bulk single grain. In the present paper, we report the development of a near-net shaping technique based on a novel two-step, buffer-aided top seeded infiltration and growth (BA-TSIG) process, which has been demonstrated to improve greatly the reliability of the single grain growth process and has been used to fabricate successfully bulk, single grain (RE)BCO superconductors with improved microstructures and superconducting properties. A trapped field of ˜0.84 T and a zero field current density of 60 kA cm-2 have been measured at 77 K in a bulk, YBCO single grain sample of diameter 25 mm processed by this two-step BA-TSIG technique. To the best of our knowledge, this value of trapped field is the highest value ever reported for a sample fabricated by an infiltration and growth process. In this study we report the successful fabrication of 14 YBCO samples, with diameters of up to 32 mm, by this novel technique with a success rate of greater than 92%.

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.

Effects of tractor loads and tyre pressures on soil compaction in Tunisia under different moisture conditions

NASA Astrophysics Data System (ADS)

Khemis, Chiheb; Abrougui, Khaoula; Ren, Lidong; Mutuku, Eunice Ann; Chehaibi, Sayed; Cornelis, Wim

2017-04-01

Vegetables in Tunisia demand frequent tractor traffic for soil tillage, cultural operations and phytosanitary treatment, resulting in soil compaction. This study evaluates the effects of four levels of compaction by using different loads and tyre pressures of tractors, i.e., load 1 (C1) = 1460 kg, load 2 (C2) = 3100 kg, tyre pressure 1 (C3) = 800 kg cm-2, tyre pressure 2 (C4) = 1500 kg cm-2 on the hydraulic and physical properties of a sandy loam (10% clay, 20% silt, 68% sand) under three natural moisture conditions H0, H1 (15 days later), H2 (30 days later). At H0 average water content between 0 and 30 cm depth varied from 0.04 to 0.06 kg kg-1, at H1 between 0.13 and 0.07 kg kg-1, and at H2 between 0.10 and 0.09 kg kg-1. Each test run was limited to one pass. Undisturbed soil cores were collected in the topsoil (0-10 cm), at 10-20 cm and in the subsoil (20-30 cm) below the trace of the wheel at sites in the Higher Institute of Agronomy of Chott Mariam, Sousse, Tunisia. Soil compaction level was determined by penetration resistance using a penetrologger. Porosity, bulk density and permeability were then determined to evaluate the impact of the four load/tyre pressure combinations at the three moisture conditions on soil compaction. Prior to the experiment (C0), bulk density was 1.4 Mg m-3. After the tractor pass, the highest degree of compaction was observed with tractor load C2 and tyre pressure C4 which significantly changed soil bulk density resulting in values of up to 1.71 Mg m-3 in the topsoil and compacted subsoil under H2, which is significantly above the critical value of 1.6 Mg m-3 for soils with clay content below 17.5%. The high degree of compaction significantly affected penetration resistance and porosity of both topsoil and subsoil layers accordingly. Permeability was significantly reduced as a result of the induced compaction. The results demonstrate that different degrees of soil compaction under different moisture levels could greatly influence hydraulic and physical properties in different ways. Even under relatively low water contents, i.e., below or near field capacity, substantial top and subsoil compaction was induced after one tractor pass.

Evaluation of Bulk Charging in Geostationary Transfer Orbit and Earth Escape Trajectories Using the Numit 1-D Charging Model

NASA Technical Reports Server (NTRS)

Minow, Joseph I.; Coffey, Victoria N.; Parker, Linda N.; Blackwell, William C., Jr.; Jun, Insoo; Garrett, Henry B.

2007-01-01

The NUMIT 1-dimensional bulk charging model is used as a screening to ol for evaluating time-dependent bulk internal or deep dielectric) ch arging of dielectrics exposed to penetrating electron environments. T he code is modified to accept time dependent electron flux time serie s along satellite orbits for the electron environment inputs instead of using the static electron flux environment input originally used b y the code and widely adopted in bulk charging models. Application of the screening technique ts demonstrated for three cases of spacecraf t exposure within the Earth's radiation belts including a geostationa ry transfer orbit and an Earth-Moon transit trajectory for a range of orbit inclinations. Electric fields and charge densities are compute d for dielectric materials with varying electrical properties exposed to relativistic electron environments along the orbits. Our objectiv e is to demonstrate a preliminary application of the time-dependent e nvironments input to the NUMIT code for evaluating charging risks to exposed dielectrics used on spacecraft when exposed to the Earth's ra diation belts. The results demonstrate that the NUMIT electric field values in GTO orbits with multiple encounters with the Earth's radiat ion belts are consistent with previous studies of charging in GTO orb its and that potential threat conditions for electrostatic discharge exist on lunar transit trajectories depending on the electrical proper ties of the materials exposed to the radiation environment.

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.

Edge currents in frustrated Josephson junction ladders

NASA Astrophysics Data System (ADS)

Marques, A. M.; Santos, F. D. R.; Dias, R. G.

2016-09-01

We present a numerical study of quasi-1D frustrated Josephson junction ladders with diagonal couplings and open boundary conditions, in the large capacitance limit. We derive a correspondence between the energy of this Josephson junction ladder and the expectation value of the Hamiltonian of an analogous tight-binding model, and show how the overall superconducting state of the chain is equivalent to the minimum energy state of the tight-binding model in the subspace of one-particle states with uniform density. To satisfy the constraint of uniform density, the superconducting state of the ladder is written as a linear combination of the allowed k-states of the tight-binding model with open boundaries. Above a critical value of the parameter t (ratio between the intra-rung and inter-rung Josephson couplings) the ladder spontaneously develops currents at the edges, which spread to the bulk as t is increased until complete coverage is reached. Above a certain value of t, which varies with ladder size (t = 1 for an infinite-sized ladder), the edge currents are destroyed. The value t = 1 corresponds, in the tight-binding model, to the opening of a gap between two bands. We argue that the disappearance of the edge currents with this gap opening is not coincidental, and that this points to a topological origin for these edge current states.

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.

Packing Fraction of a Two-dimensional Eden Model with Random-Sized Particles

NASA Astrophysics Data System (ADS)

Kobayashi, Naoki; Yamazaki, Hiroshi

2018-01-01

We have performed a numerical simulation of a two-dimensional Eden model with random-size particles. In the present model, the particle radii are generated from a Gaussian distribution with mean μ and standard deviation σ. First, we have examined the bulk packing fraction for the Eden cluster and investigated the effects of the standard deviation and the total number of particles NT. We show that the bulk packing fraction depends on the number of particles and the standard deviation. In particular, for the dependence on the standard deviation, we have determined the asymptotic value of the bulk packing fraction in the limit of the dimensionless standard deviation. This value is larger than the packing fraction obtained in a previous study of the Eden model with uniform-size particles. Secondly, we have investigated the packing fraction of the entire Eden cluster including the effect of the interface fluctuation. We find that the entire packing fraction depends on the number of particles while it is independent of the standard deviation, in contrast to the bulk packing fraction. In a similar way to the bulk packing fraction, we have obtained the asymptotic value of the entire packing fraction in the limit NT → ∞. The obtained value of the entire packing fraction is smaller than that of the bulk value. This fact suggests that the interface fluctuation of the Eden cluster influences the packing fraction.

Interpenetrating graphene networks: Three-dimensional node-line semimetals with massive negative linear compressibilities

NASA Astrophysics Data System (ADS)

Lin, Yangzheng; Zhao, Zhisheng; Strobel, Timothy A.; Cohen, R. E.

2016-12-01

We investigated the stability and mechanical and electronic properties of 15 metastable mixed s p2-s p3 carbon allotropes in the family of interpenetrating graphene networks (IGNs) using density functional theory (DFT). IGN allotropes exhibit nonmonotonic bulk and linear compressibilities before their structures irreversibly transform into new configurations under large hydrostatic compression. The maximum bulk compressibilities vary widely between structures and range from 3.6 to 306 TPa-1. We find all the IGN allotropes have negative linear compressibilities with maximum values varying from -0.74 to -133 TPa-1. The maximal negative linear compressibility of Z33 (-133 TPa-1 at 3.4 GPa) exceeds previously reported values at pressures higher than 1.0 GPa. IGN allotropes can be classified as either armchair or zigzag type, and these two types of IGNs exhibit different electronic properties. Zigzag-type IGNs are node-line semimetals, while armchair-type IGNs are either semiconductors or node-loop or node-line semimetals. Experimental synthesis of these IGN allotropes might be realized since their formation enthalpies relative to graphite are only 0.1-0.5 eV/atom (that of C60 fullerene is about 0.4 eV/atom), and energetically feasible binary compound pathways are possible.

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.

PYFLOW_2.0: a computer program for calculating flow properties and impact parameters of past dilute pyroclastic density currents based on field data

NASA Astrophysics Data System (ADS)

Dioguardi, Fabio; Mele, Daniela

2018-03-01

This paper presents PYFLOW_2.0, a hazard tool for the calculation of the impact parameters of dilute pyroclastic density currents (DPDCs). DPDCs represent the dilute turbulent type of gravity flows that occur during explosive volcanic eruptions; their hazard is the result of their mobility and the capability to laterally impact buildings and infrastructures and to transport variable amounts of volcanic ash along the path. Starting from data coming from the analysis of deposits formed by DPDCs, PYFLOW_2.0 calculates the flow properties (e.g., velocity, bulk density, thickness) and impact parameters (dynamic pressure, deposition time) at the location of the sampled outcrop. Given the inherent uncertainties related to sampling, laboratory analyses, and modeling assumptions, the program provides ranges of variations and probability density functions of the impact parameters rather than single specific values; from these functions, the user can interrogate the program to obtain the value of the computed impact parameter at any specified exceedance probability. In this paper, the sedimentological models implemented in PYFLOW_2.0 are presented, program functionalities are briefly introduced, and two application examples are discussed so as to show the capabilities of the software in quantifying the impact of the analyzed DPDCs in terms of dynamic pressure, volcanic ash concentration, and residence time in the atmosphere. The software and user's manual are made available as a downloadable electronic supplement.

An Experimental Study of Briquetting Process of Torrefied Rubber Seed Kernel and Palm Oil Shell.

PubMed

Hamid, M Fadzli; Idroas, M Yusof; Ishak, M Zulfikar; Zainal Alauddin, Z Alimuddin; Miskam, M Azman; Abdullah, M Khalil

2016-01-01

Torrefaction process of biomass material is essential in converting them into biofuel with improved calorific value and physical strength. However, the production of torrefied biomass is loose, powdery, and nonuniform. One method of upgrading this material to improve their handling and combustion properties is by densification into briquettes of higher density than the original bulk density of the material. The effects of critical parameters of briquetting process that includes the type of biomass material used for torrefaction and briquetting, densification temperature, and composition of binder for torrefied biomass are studied and characterized. Starch is used as a binder in the study. The results showed that the briquette of torrefied rubber seed kernel (RSK) is better than torrefied palm oil shell (POS) in both calorific value and compressive strength. The best quality of briquettes is yielded from torrefied RSK at the ambient temperature of briquetting process with the composition of 60% water and 5% binder. The maximum compressive load for the briquettes of torrefied RSK is 141 N and the calorific value is 16 MJ/kg. Based on the economic evaluation analysis, the return of investment (ROI) for the mass production of both RSK and POS briquettes is estimated in 2-year period and the annual profit after payback was approximately 107,428.6 USD.

InGaN light-emitting diodes with highly transparent ZnO:Ga electrodes

NASA Astrophysics Data System (ADS)

Liu, H. Y.; Li, X.; Ni, X.; Avrutin, V.; Izyumskaya, N.; Özgür, Ü.; Morkoç, H.

2010-03-01

InGaN light-emitting diodes (LEDs) utilizing ZnO layers heavily doped with Ga (GZO) as transparent p-electrodes were fabricated and their characteristics were demonstrated to be superior to those of LEDs with metal Ni/Au electrodes. Highly conductive and highly transparent GZO films were grown on p-GaN contact layers of the LED structures by plasma-assisted molecular beam epitaxy under metal-rich conditions. The c and a lattice constants of GZO were found to be close to the bulk values, indicating small lattice distortion of GZO. The as-grown GZO films showed resistivities as low as 2.2-2.9×10-4 Ω cm. Upon rapid thermal annealing at the optimum temperature of 675 °C, the resistivity decreased reaching a value of ~1.9×10-4 Ω cm. Unlike the LEDs with Ni/Au contacts, the LEDs with GZO electrodes showed no filamentation and very uniform light emission at high current densities. The peak value of the relative external quantum efficiency for the LEDs with GZO contacts has substantial improvement compared with that for the LEDs with Ni/Au contacts. Under pulsed excitation mode, GZO-LEDs withstood current densities up to 5000 A/cm2.

Bulk photovoltaic effect in epitaxial (K, Nb) substituted BiFeO3 thin films

NASA Astrophysics Data System (ADS)

Agarwal, Radhe; Zheng, Fan; Sharma, Yogesh; Hong, Seungbum; Rappe, Andrew; Katiyar, Ram

We studied the bulk photovoltaic effect in epitaxial (K, Nb) modified BiFeO3 (BKFNO) thin films using theoretical and experimental methods. Epitaxial BKFNO thin films were grown by pulsed laser deposition (PLD). First, we have performed first principles density function theory (DFT) using DFT +U method to calculate electronic band structure, including Hubbard-Ueff (Ueff =U-J) correction into Hamiltonian. The electronic band structure calculations showed a direct band gap at 1.9 eV and a defect level at 1.7 eV (in a 40 atom BKFNO supercell), sufficiently lower in comparison to the experimentally observed values. Furthermore, the piezoforce microscopy (PFM) measurements indicated the presence of striped polydomains in BKFNO thin films. Angle-resolved PFM measurements were also performed to find domain orientation and net polarization directions in these films. The experimental studies of photovoltaic effect in BKNFO films showed a short circuit current of 59 micro amp/cm2 and open circuit voltage of 0.78 V. We compared our experimental results with first principles shift current theory calculations of bulk photovoltaic effect (BPVE).The synergy between theory and experimental results provided a realization of significant role of BPVE in order to understand the photovoltaic mechanism in ferroelectrics.

Modeling of Bulk Evaporation and Condensation

NASA Technical Reports Server (NTRS)

Anghaie, S.; Ding, Z.

1996-01-01

This report describes the modeling and mathematical formulation of the bulk evaporation and condensation involved in liquid-vapor phase change processes. An internal energy formulation, for these phase change processes that occur under the constraint of constant volume, was studied. Compared to the enthalpy formulation, the internal energy formulation has a more concise and compact form. The velocity and time scales of the interface movement were obtained through scaling analysis and verified by performing detailed numerical experiments. The convection effect induced by the density change was analyzed and found to be negligible compared to the conduction effect. Two iterative methods for updating the value of the vapor phase fraction, the energy based (E-based) and temperature based (T-based) methods, were investigated. Numerical experiments revealed that for the evaporation and condensation problems the E-based method is superior to the T-based method in terms of computational efficiency. The internal energy formulation and the E-based method were used to compute the bulk evaporation and condensation processes under different conditions. The evolution of the phase change processes was investigated. This work provided a basis for the modeling of thermal performance of multi-phase nuclear fuel elements under variable gravity conditions, in which the buoyancy convection due to gravity effects and internal heating are involved.

Static and Dynamic Moduli of Malm Carbonate: A Poroelastic Correlation

NASA Astrophysics Data System (ADS)

Hassanzadegan, Alireza; Guérizec, Romain; Reinsch, Thomas; Blöcher, Guido; Zimmermann, Günter; Milsch, Harald

2016-08-01

The static and poroelastic moduli of a porous rock, e.g., the drained bulk modulus, can be derived from stress-strain curves in rock mechanical tests, and the dynamic moduli, e.g., dynamic Poisson's ratio, can be determined by acoustic velocity and bulk density measurements. As static and dynamic elastic moduli are different, a correlation is often required to populate geomechanical models. A novel poroelastic approach is introduced to correlate static and dynamic bulk moduli of outcrop analogues samples, representative of Upper-Malm reservoir rock in the Molasse basin, southwestern Germany. Drained and unjacketed poroelastic experiments were performed at two different temperature levels (30 and 60°C). For correlating the static and dynamic elastic moduli, a drained acoustic velocity ratio is introduced, corresponding to the drained Poisson's ratio in poroelasticity. The strength of poroelastic coupling, i.e., the product of Biot and Skempton coefficients here, was the key parameter. The value of this parameter decreased with increasing effective pressure by about 56 ~% from 0.51 at 3 MPa to 0.22 at 73 MPa. In contrast, the maximum change in P- and S-wave velocities was only 3 % in this pressure range. This correlation approach can be used in characterizing underground reservoirs, and can be employed to relate seismicity and geomechanics (seismo-mechanics).

Porosity and Permeability of Chondritic Materials

NASA Technical Reports Server (NTRS)

Zolensky, Michael E.; Corrigan, Catherine M.; Dahl, Jason; Long, Michael

1996-01-01

We have investigated the porosity of a large number of chondritic interplanetary dust particles and meteorites by three techniques: standard liquid/gas flow techniques, a new, non-invasive ultrasonic technique, and image processing of backscattered images . The latter technique is obviously best suited to sub-kg sized samples. We have also measured the gas and liquid permeabilities of some chondrites by two techniques: standard liquid/gas flow techniques, and a new, non-destructive pressure release technique. We find that chondritic IDP's have a somewhat bimodal porosity distribution. Peaks are present at 0 and 4% porosity; a tail then extends to 53%. These values suggest IDP bulk densities of 1.1 to 3.3 g/cc. Type 1-3 chondrite matrix porosities range up to 30%, with a peak at 2%. The bulk porosities for type 1-3 chondrites have the same approximate range as exhibited by matrix, indicating that other components of the bulk meteorites (including chondrules and aggregates) have the same average porosity as matrix. These results reveal that the porosity of primitive materials at scales ranging from nanogram to kilogram are similar, implying similar accretion dynamics operated through 12 orders of size magnitude. Permeabilities of the investigated chondrites vary by several orders of magnitude, and there appears to be no simple dependence of permeability with degree of aqueous alteration, or chondrite type.

Comparison of waste pumpkin material and its potential use in extruded snack foods.

PubMed

Norfezah, M N; Hardacre, A; Brennan, C S

2011-08-01

Material was produced from Crown pumpkin (Cucurbita maxima) processed from fractions of the fruit which are regarded as waste stream products (peel, flesh and seed). The flour from the three different fractions (peel, flesh and seed) of Crown pumpkin flour was incorporated into an extruded snack product formulation at levels 10%, 30% and 50% (w/w with corn grit) and processed in a twin-screw extruder to make 10 expanded snack products. Proximate analysis was carried out to determine the nutritional value of the raw pumpkin and pumpkin flour. A physical analysis of the product was used to determine its color, the expansion ratio, bulk density and texture. Inclusion of waste stream material (peel and seed) at 10%, yielded extruded products with similar expansion and density characteristics to the control sample; however, an inclusion of greater than 10% yielded significant challenges to product quality (hardness of the product).

Critical current densities of Jelly-Roll and powder metallurgy Nb{sub 3}Al wires as a function of temperature and magnetic field

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

Thieme, C.L.H.; Kim, J.B.; Takayasu, M.

Critical current densities of multi-filamentary Nb{sub 3}Al wire made with the Jelly-Roll process (JR) and mono-core powder metallurgy process (PM) wire were measured as a function of temperature and magnetic field. The temperature dependence of the resistive critical field B{sub c2} was measured in PM wires. There is a significant difference between these resistive B{sub c2} values and the ones determined by Kramer plots. The field dependence of the critical current depends on the manufacturing method. In general, it follows a relationship that falls between pure Kramer and one where the pinning force is inversely proportional with B{sup 2}. Inmore » contrast with Nb{sub 3}Sn no maximum in the bulk pinning force is observed down to 3 T (0.15MxB{sub c2}).« less

Accurate polarimeter with multicapture fitting for plastic lens evaluation

NASA Astrophysics Data System (ADS)

Domínguez, Noemí; Mayershofer, Daniel; Garcia, Cristina; Arasa, Josep

2016-02-01

Due to their manufacturing process, plastic injection molded lenses do not achieve a constant density throughout their volume. This change of density introduces tensions in the material, inducing local birefringence, which in turn is translated into a variation of the ordinary and extraordinary refractive indices that can be expressed as a retardation phase plane using the Jones matrix notation. The detection and measurement of the value of the retardation of the phase plane are therefore very useful ways to evaluate the quality of plastic lenses. We introduce a polariscopic device to obtain two-dimensional maps of the tension distribution in the bulk of a lens, based on detection of the local birefringence. In addition to a description of the device and the mathematical approach used, a set of initial measurements is presented that confirms the validity of the developed system for the testing of the uniformity of plastic lenses.

Copernicus observations of interstellar matter in the direction of HR 1099

NASA Technical Reports Server (NTRS)

Anderson, R. C.; Weiler, E. J.

1978-01-01

Results are reported for high-resolution Copernicus U1 and V2 scans of the bright RS CVn spectroscopic binary HR 1099. The observations reveal strong UV emission lines at L-alpha and Mg II h and k from the stars as well as interstellar H I and D I L-alpha absorption lines and interstellar Mg II h and k absorption in the direction of the binary system. Column densities, bulk velocities, and temperatures are derived for the interstellar features. A comparison of the derived number density of interstellar H I with data for the nearby star Epsilon Eri indicates an inhomogeneous distribution of interstellar hydrogen along the line of sight. The range of values obtained for the D/H ratio is shown to be consistent with results of other studies. A depletion factor of at least 5 with respect to the solar abundance is estimated for the interstellar magnesium.

Ultrasonic evaluation of oxidation and reduction effects on the elastic behavior and global microstructure of YBa2Cu3O7-x

NASA Technical Reports Server (NTRS)

Roth, Don J.; Deguire, Mark R.; Dolhert, Leonard E.

1991-01-01

Ultrasonic velocity measurement techniques were used to evaluate the effects of oxidation and reduction on the elastic properties, global microstructure and oxygen content of the YBa2Cu3O(7-x) ceramic superconductor for samples ranging from 70 to 90 pct. of theoretical density. Bulk density, velocity, and elastic modulus generally increased with increasing oxygen content upon oxidation, and this behavior was reversible. Velocity image patterns were similar after oxidation and reduction treatments for a 90 pct. dense sample, although the velocity value at any given point on the sample was changed following the treatments. The unchanging pattern correlated with destructive measurements showing that the spatial pore distribution (fraction and size) was not measurably altered after the treatments. Changes in superconducting behavior, crystal structure, and grain structure were observed consistent with changes in oxygen content.

In-line moisture monitoring in fluidized bed granulation using a novel multi-resonance microwave sensor.

PubMed

Peters, Johanna; Bartscher, Kathrin; Döscher, Claas; Taute, Wolfgang; Höft, Michael; Knöchel, Reinhard; Breitkreutz, Jörg

2017-08-01

Microwave resonance technology (MRT) is known as a process analytical technology (PAT) tool for moisture measurements in fluid-bed granulation. It offers a great potential for wet granulation processes even where the suitability of near-infrared (NIR) spectroscopy is limited, e.g. colored granules, large variations in bulk density. However, previous sensor systems operating around a single resonance frequency showed limitations above approx. 7.5% granule moisture. This paper describes the application of a novel sensor working with four resonance frequencies. In-line data of all four resonance frequencies were collected and further processed. Based on calculation of density-independent microwave moisture values multiple linear regression (MLR) models using Karl-Fischer titration (KF) as well as loss on drying (LOD) as reference methods were build. Rapid, reliable in-process moisture control (RMSEP≤0.5%) even at higher moisture contents was achieved. Copyright © 2017 Elsevier B.V. All rights reserved.

Evapotranspiration and crop coefficient of oil palm (Elaeis guineensis Jacq.) on the main nursery in a greenhouse

NASA Astrophysics Data System (ADS)

Sigalingging, R.; Sumono; Rahmansyah, N.

2018-02-01

The estimation of crop water requirement is an important part of oil palm plantation because fruit yield of oil palm can be affected by water stress. Evapotranspiration and crop coefficient of oil palm using Tenera variety at 7-12 months old was determined. Soil texture was sandy loam with 73.8 % sand, 10.8 % silt, 15.77 % clay and 1.41 % organic matter. The results showed that the oil palm getting older decreased significantly in bulk density, particle density and porosity of soil caused the root of oil palm enlarged (19.42 g to 53.37 g). This was indicated by increased the dry root weight. On the other hand, the value of evapotranspiration and crop coefficient increased significantly, that was 1.85 to 2.00 mm/day and 0.8 to 0.87 respectively.

Structural, electronic, mechanical, and dynamical properties of graphene oxides: A first principles study

NASA Astrophysics Data System (ADS)

Dabhi, Shweta D.; Gupta, Sanjay D.; Jha, Prafulla K.

2014-05-01

We report the results of a theoretical study on the structural, electronic, mechanical, and vibrational properties of some graphene oxide models (GDO, a-GMO, z-GMO, ep-GMO and mix-GMO) at ambient pressure. The calculations are based on the ab-initio plane-wave pseudo potential density functional theory, within the generalized gradient approximations for the exchange and correlation functional. The calculated values of lattice parameters, bulk modulus, and its first order pressure derivative are in good agreement with other reports. A linear response approach to the density functional theory is used to derive the phonon frequencies. We discuss the contribution of the phonons in the dynamical stability of graphene oxides and detailed analysis of zone centre phonon modes in all the above mentioned models. Our study demonstrates a wide range of energy gap available in the considered models of graphene oxide and hence the possibility of their use in nanodevices.

Shock waves data for minerals

NASA Technical Reports Server (NTRS)

Ahrens, Thomas J.; Johnson, Mary L.

1994-01-01

Shock compression of the materials of planetary interiors yields data which upon comparison with density-pressure and density-sound velocity profiles constrain internal composition and temperature. Other important applications of shock wave data and related properties are found in the impact mechanics of terrestrial planets and solid satellites. Shock wave equation of state, shock-induced dynamic yielding and phase transitions, and shock temperature are discussed. In regions where a substantial phase change in the material does not occur, the relationship between the particle velocity, U(sub p), and the shock velocity, U(sub s), is given by U(sub s) = C(sub 0) + S U(sub p), where C(sub 0) is the shock velocity at infinitesimally small particle velocity, or the ambient pressure bulk sound velocity. Numerical values for the shock wave equation of state for minerals and related materials of the solar system are provided.

Statistical properties of bidimensional patterns generated from delayed and extended maps

NASA Astrophysics Data System (ADS)

Giacomelli, Giovanni; Lepri, Stefano; Politi, Antonio

1995-05-01

The space-time chaotic patterns associated with a class of dynamical systems ranging from delayed to extended maps are investigated. All the systems are constructed in such a way that the corresponding two-dimensional (2D) representation is characterized by the same updating rule in the bulk. The main difference among them is the direction of the ``time'' axis in the plane. Despite the different causality relations among the various models, the resulting patterns are shown to be statistically equivalent. In particular, the Kolmogorov-Sinai entropy density assumes always the same value. Therefore, it can be considered as an absolute indicator, measuring the amount of disorder of a 2D pattern. The Kaplan-Yorke dimension density is instead rule dependent: this indicator alone cannot be used to quantify the degrees of freedom of a given pattern; one must further specify the direction of propagation in the plane.

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...

Comparison of blueberry powder produced via foam-mat freeze-drying versus spray-drying: evaluation of foam and powder properties.

PubMed

Darniadi, Sandi; Ho, Peter; Murray, Brent S

2018-03-01

Blueberry juice powder was developed via foam-mat freeze-drying (FMFD) and spray-drying (SD) via addition of maltodextrin (MD) and whey protein isolate (WPI) at weight ratios of MD/WPI = 0.4 to 3.2 (with a fixed solids content of 5 wt% for FMFD and 10 wt% for SD). Feed rates of 180 and 360 mL h -1 were tested in SD. The objective was to evaluate the effect of the drying methods and carrier agents on the physical properties of the corresponding blueberry powders and reconstituted products. Ratios of MD/WPI = 0.4, 1.0 and 1.6 produced highly stable foams most suitable for FMFD. FMFD gave high yields and low bulk density powders with flake-like particles of large size that were also dark purple with high red values. SD gave low powder recoveries. The powders had higher bulk density and faster rehydration times, consisting of smooth, spherical and smaller particles than in FMFD powders. The SD powders were bright purple but less red than FMFD powders. Solubility was greater than 95% for both FMFD and SD powders. The FMFD method is a feasible method of producing blueberry juice powder and gives products retaining more characteristics of the original juice than SD. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Profiling the Local Seebeck Coefficient of InAs-GaAs Quantum Dots Using Scanning Thermoelectric Microscopy

NASA Astrophysics Data System (ADS)

Lin, Yen-Hsiang; Walrath, Jenna; Huang, Simon; Goldman, Rachel

2014-03-01

Thermoelectric (TE) devices offer a method of recovering waste heat through solid state conversion of heat to electricity. However, the typical efficiencies of TE devices are 5-10% which constitutes a barrier to wide spread use. There have recently been a number of reports of an increase in the bulk thermopower due to nanostructuring. In addition to our recent report of enhanced thermopower for GaAs embedded with indium nanocrystals, a theoretical study by Mahan and Sofo suggested that the best thermoelectric materials have a delta function density of states. Quantum dots fit ideally into such a picture. To date, the influence of nanostructuring on the electronic LDOS and thermopower has been studied using spatially averaged measurements; a nanoscale investigation of the effects of nanostructures on thermopower has yet to be presented. To investigate the link between dimensionality and TE properties, we are examining structures ranging from QDs to bulk-like layers, comparing SThEM measurements of the local Seebeck coefficient, S, with STS measurements of the local density of states (LDOS). STM, STS, and SThEM performed on InAs quantum dots (QDs) grown on GaAs. SThEM reveals enhanced S-values near the QD edge; STS reveals band-bending at the QD/GaAs interface, suggesting that the S enhancement is due to interfacial charge accumulation.