PEDO-TRANSFER FUNCTIONS FOR ESTIMATING SOIL BULK DENSITY IN CENTRAL AMAZONIA

Directory of Open Access Journals (Sweden)

Henrique Seixas Barros

2015-04-01

Full Text Available Under field conditions in the Amazon forest, soil bulk density is difficult to measure. Rigorous methodological criteria must be applied to obtain reliable inventories of C stocks and soil nutrients, making this process expensive and sometimes unfeasible. This study aimed to generate models to estimate soil bulk density based on parameters that can be easily and reliably measured in the field and that are available in many soil-related inventories. Stepwise regression models to predict bulk density were developed using data on soil C content, clay content and pH in water from 140 permanent plots in terra firme (upland forests near Manaus, Amazonas State, Brazil. The model results were interpreted according to the coefficient of determination (R2 and Akaike information criterion (AIC and were validated with a dataset consisting of 125 plots different from those used to generate the models. The model with best performance in estimating soil bulk density under the conditions of this study included clay content and pH in water as independent variables and had R2 = 0.73 and AIC = -250.29. The performance of this model for predicting soil density was compared with that of models from the literature. The results showed that the locally calibrated equation was the most accurate for estimating soil bulk density for upland forests in the Manaus region.

Reliability of AlGaN/GaN high electron mobility transistors on low dislocation density bulk GaN substrate: Implications of surface step edges

Energy Technology Data Exchange (ETDEWEB)

Killat, N., E-mail: Nicole.Killat@bristol.ac.uk, E-mail: Martin.Kuball@bristol.ac.uk; Montes Bajo, M.; Kuball, M., E-mail: Nicole.Killat@bristol.ac.uk, E-mail: Martin.Kuball@bristol.ac.uk [Center for Device Thermography and Reliability (CDTR), H.H. Wills Physics Laboratory, Tyndall Avenue, Bristol BS8 1TL (United Kingdom); Paskova, T. [Kyma Technologies, Inc., Raleigh, North Carolina 27617 (United States); Materials Science and Engineering Department, North Carolina State University, Raleigh, North Carolina 27695 (United States); Evans, K. R. [Kyma Technologies, Inc., Raleigh, North Carolina 27617 (United States); Leach, J. [Kyma Technologies, Inc., Raleigh, North Carolina 27617 (United States); Electrical and Computer Engineering Department, Virginia Commonwealth University, Richmond, Virginia 23284 (United States); Li, X.; Özgür, Ü.; Morkoç, H. [Electrical and Computer Engineering Department, Virginia Commonwealth University, Richmond, Virginia 23284 (United States); Chabak, K. D.; Crespo, A.; Gillespie, J. K.; Fitch, R.; Kossler, M.; Walker, D. E.; Trejo, M.; Via, G. D.; Blevins, J. D. [Air Force Research Laboratory, Wright-Patterson Air Force Base, Dayton, Ohio 45433 (United States)

2013-11-04

To enable gaining insight into degradation mechanisms of AlGaN/GaN high electron mobility transistors, devices grown on a low-dislocation-density bulk-GaN substrate were studied. Gate leakage current and electroluminescence (EL) monitoring revealed a progressive appearance of EL spots during off-state stress which signify the generation of gate current leakage paths. Atomic force microscopy evidenced the formation of semiconductor surface pits at the failure location, which corresponds to the interaction region of the gate contact edge and the edges of surface steps.

Ab-initio investigation of structural, electronic and optical properties BSb compound in bulk and surface (110 states

Directory of Open Access Journals (Sweden)

H A Badehian

2015-07-01

Full Text Available In recent work the structural, electronic and optical properties of BSb compound in bulk and surface (110 states have been studied. Calculations have been performed using Full-Potential Augmented Plane Wave (FP-LAPW method by WIEN2k code in Density Functional Theory (DFT framework. The structural properties of the bulk such as lattice constant, bulk module and elastic constants have been investigated using four different approximations. The band gap energy of the bulk and the (110 surface of BSb were obtained about 1.082 and 0.38 eV respectively. Moreover the surface energy, the work function, the surface relaxation, surface state and the band structure of BSb (110 were investigated using symmetric and stoichiometric 15 layers slabs with the vacuum of 20 Bohr. In addition, the real and imaginary parts of the dielectric function of the bulk and the BSb (110 slab were calculated and compared to each other. Our obtained results have a good agreement with the available results.

The effects of forward speed and depth of conservation tillage on soil bulk density

Directory of Open Access Journals (Sweden)

A Mahmoudi

2015-09-01

Full Text Available Introduction: In recent years, production techniques and equipment have been developed for conservation of tillage systems that have been adopted by many farmers. With proper management, overall yield averages for conventional and reduced tillage systems are nearly identical. Sometimes, field operations can be combined by connecting two or more implements. Combined operations reduce both fuel consumption, and time and labor requirements by eliminating at least one individual trip over the field. Light tillage, spraying, or fertilizing operations can be combined with either primary or secondary tillage or planting operations. Tillage helps seed growth and germination through providing appropriate conditions for soil to absorb sufficient temperature and humidity. Moreover, it helps easier development of root through reducing soil penetration resistance. Tillage is a time-consuming and expensive procedure. With the application of agricultural operations, we can save substantial amounts of fuel, time and energy consumption. Conservation tillage loosens the soil without turning, but by remaining the plant left overs, stems and roots. Bulk density reflects the soil’s ability to function for structural support, water and solute movement, and soil aeration. Bulk densities above thresholds indicate impaired function. Bulk density is also used to convert between weight and volume of soil. It is used to express soil physical, chemical and biological measurements on a volumetric basis for soil quality assessment and comparisons between management systems. This increases the validity of comparisons by removing the error associated with differences in soil density at the time of sampling. The aim of conservation tillage is to fix the soil structure. This investigation was carried out considering the advantages of conservation tillage and less scientific research works on imported conservation tillage devices and those which are made inside the country

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

Science.gov (United States)

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...

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

Science.gov (United States)

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.

Grain bulk density measurement based on wireless network

Directory of Open Access Journals (Sweden)

Wu Fangming

2017-01-01

Full Text Available To know the accurate quantity of stored grain, grain density sensors must be used to measure the grain’s bulk density. However, multi-sensors should be inserted into the storage facility, to quickly collect data during the inventory checking of stored grain. In this study, the ZigBee and Wi-Fi coexistence network’s ability to transmit data collected by density sensors was investigated. A system consisting of six sensor nodes, six router nodes, one gateway and one Android Pad was assembled to measure the grain’s bulk density and calculate its quantity. The CC2530 chip with ZigBee technology was considered as the core of the information processing, and wireless nodes detection in sensor, and router nodes. ZigBee worked in difference signal channel with Wi-Fi to avoid interferences and connected with Wi-Fi module by UART serial communications interfaces in gateway. The Android Pad received the measured data through the gateway and processed this data to calculate quantity. The system enabled multi-point and real-time parameter detection inside the grain storage. Results show that the system has characteristics of good expansibility, networking flexibility and convenience.

In-situ determination of electronic surface and volume defect density of amorphous silicon (a-Si:H) and silicon alloys

International Nuclear Information System (INIS)

Siebke, F.

1992-07-01

The density of localized gap states in the bulk and in the near-surface region of amorphous hydrogenated silicon (a-Si:H) was measured for non oxidized undoped, B-doped and P-doped samples as well as for films with low carbon (C) and germanium (Ge) content. Also the influence of light soaking on the bulk and surface density of states was investigated. The samples were prepared by rf glow discharge in an UHV-system at substrate temperatures between 100degC and 400degC and transferred to the analysis chamber by a vacuum lock. We combined the constant photocurrent method (CPM) and the total-yield photoelectron spectroscopy (TY) to obtain in-situ information about the defect densities. While the first method yields information about the density of states in the bulk, the other method obtains the density of occupied states in the near-surface region. The mean information depth of the TY-measurements is limited by the escape lenght of photoelectrons and can be estimated to 5 nm. In addition to the defect density the position of the Fermi energy was determined for the bulk by dark conductivity measurements and at the surface using a calibrated Kelvin probe. (orig.)

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

Science.gov (United States)

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

Enhancement of surface magnetism due to bulk bond dilution

International Nuclear Information System (INIS)

Tsallis, C.; Sarmento, E.F.; Albuquerque, E.L. de

1985-01-01

Within a renormalization group scheme, the phase diagram of a semi-infinite simple cubic Ising ferromagnet is discussed, with arbitrary surface and bulk coupling constants, and including possible dilution of the bulk bonds. It is obtained that dilution makes easier the appearance of surface magnetism in the absence of bulk magnetism. (Author) [pt

Technique of Critical Current Density Measurement of Bulk Superconductor with Linear Extrapolation Method

International Nuclear Information System (INIS)

Adi, Wisnu Ari; Sukirman, Engkir; Winatapura, Didin S.

2000-01-01

Technique of critical current density measurement (Jc) of HTc bulk ceramic superconductor has been performed by using linear extrapolation with four-point probes method. The measurement of critical current density HTc bulk ceramic superconductor usually causes damage in contact resistance. In order to decrease this damage factor, we introduce extrapolation method. The extrapolating data show that the critical current density Jc for YBCO (123) and BSCCO (2212) at 77 K are 10,85(6) Amp.cm - 2 and 14,46(6) Amp.cm - 2, respectively. This technique is easier, simpler, and the use of the current flow is low, so it will not damage the contact resistance of the sample. We expect that the method can give a better solution for bulk superconductor application. Key words. : superconductor, critical temperature, and critical current density

Theoretical study on the electronic and optical properties of bulk and surface (001) InxGa1-xAs

Science.gov (United States)

Liu, XueFei; Ding, Zhao; Luo, ZiJiang; Zhou, Xun; Wei, JieMin; Wang, Yi; Guo, Xiang; Lang, QiZhi

2018-05-01

The optical properties of surface and bulk InxGa1-xAs materials are compared systematically first time in this paper. The band structures, density of states and optical properties including dielectric function, reflectivity, absorption coefficient, loss function and refractive index of bulk and surface InxGa1-xAs materials are investigated by first-principles based on plane-wave pseudo-potentials method within the LDA approximation. The results agree well with the available theoretical and experimental studies and indicate that the electronic and optical properties of bulk and surface InxGa1-xAs materials are much different, and the results show that the considered optical properties of the both materials vary with increasing indium composition in an opposite way. The calculations show that the optical properties of surface In0.75Ga0.25As material are unexpected to be far from the other two indium compositions of surface InxGa1-xAs materials while the optical properties of bulk InxGa1-xAs materials vary with increasing indium composition in an expected regular way.

Palladium diffusion into bulk copper via the (100) surface

Energy Technology Data Exchange (ETDEWEB)

Bussmann, E; Kellogg, G L [Sandia National Laboratories, Albuquerque, NM 87185 (United States); Sun, J; Pohl, K [Department of Physics and Materials Science Program, University of New Hampshire, Durham, NH 03824 (United States)

2009-08-05

Using low-energy electron microscopy, we measure the diffusion of Pd into bulk Cu at the Cu(100) surface. Interdiffusion is tracked by measuring the dissolution of the Cu(100)-c(2 x 2)-Pd surface alloy during annealing (T>240 deg. C). The activation barrier for Pd diffusion from the surface alloy into the bulk is determined to be (1.8 +- 0.6) eV. During annealing, we observe the growth of a new layer of Cu near step edges. Under this new Cu layer, dilute Pd remaining near the surface develops a layered structure similar to the Cu{sub 3}Pd L 1{sub 2} bulk alloy phase.

Influence of growth temperature on bulk and surface defects in hybrid lead halide perovskite films

Science.gov (United States)

Peng, Weina; Anand, Benoy; Liu, Lihong; Sampat, Siddharth; Bearden, Brandon E.; Malko, Anton V.; Chabal, Yves J.

2016-01-01

The rapid development of perovskite solar cells has focused its attention on defects in perovskites, which are gradually realized to strongly control the device performance. A fundamental understanding is therefore needed for further improvement in this field. Recent efforts have mainly focused on minimizing the surface defects and grain boundaries in thin films. Using time-resolved photoluminescence spectroscopy, we show that bulk defects in perovskite samples prepared using vapor assisted solution process (VASP) play a key role in addition to surface and grain boundary defects. The defect state density of samples prepared at 150 °C (~1017 cm-3) increases by 5 fold at 175 °C even though the average grains size increases slightly, ruling out grain boundary defects as the main mechanism for the observed differences in PL properties upon annealing. Upon surface passivation using water molecules, the PL intensity and lifetime of samples prepared at 200 °C are only partially improved, remaining significantly lower than those prepared at 150 °C. Thus, the present study indicates that the majority of these defect states observed at elevated growth temperatures originates from bulk defects and underscores the importance to control the formation of bulk defects together with grain boundary and surface defects to further improve the optoelectronic properties of perovskites.The rapid development of perovskite solar cells has focused its attention on defects in perovskites, which are gradually realized to strongly control the device performance. A fundamental understanding is therefore needed for further improvement in this field. Recent efforts have mainly focused on minimizing the surface defects and grain boundaries in thin films. Using time-resolved photoluminescence spectroscopy, we show that bulk defects in perovskite samples prepared using vapor assisted solution process (VASP) play a key role in addition to surface and grain boundary defects. The defect state

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

Science.gov (United States)

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

2013-07-14

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

SURFACE SYMMETRY ENERGY OF NUCLEAR ENERGY DENSITY FUNCTIONALS

Energy Technology Data Exchange (ETDEWEB)

Nikolov, N; Schunck, N; Nazarewicz, W; Bender, M; Pei, J

2010-12-20

We study the bulk deformation properties of the Skyrme nuclear energy density functionals. Following simple arguments based on the leptodermous expansion and liquid drop model, we apply the nuclear density functional theory to assess the role of the surface symmetry energy in nuclei. To this end, we validate the commonly used functional parametrizations against the data on excitation energies of superdeformed band-heads in Hg and Pb isotopes, and fission isomers in actinide nuclei. After subtracting shell effects, the results of our self-consistent calculations are consistent with macroscopic arguments and indicate that experimental data on strongly deformed configurations in neutron-rich nuclei are essential for optimizing future nuclear energy density functionals. The resulting survey provides a useful benchmark for further theoretical improvements. Unlike in nuclei close to the stability valley, whose macroscopic deformability hangs on the balance of surface and Coulomb terms, the deformability of neutron-rich nuclei strongly depends on the surface-symmetry energy; hence, its proper determination is crucial for the stability of deformed phases of the neutron-rich matter and description of fission rates for r-process nucleosynthesis.

Bulk density estimation using a 3-dimensional image acquisition and analysis system

Directory of Open Access Journals (Sweden)

Heyduk Adam

2016-01-01

Full Text Available The paper presents a concept of dynamic bulk density estimation of a particulate matter stream using a 3-d image analysis system and a conveyor belt scale. A method of image acquisition should be adjusted to the type of scale. The paper presents some laboratory results of static bulk density measurements using the MS Kinect time-of-flight camera and OpenCV/Matlab software. Measurements were made for several different size classes.

Effects of gypsum and bulk density on neutron probe calibration curves

International Nuclear Information System (INIS)

Arslan, Awadis; Razzouk, A.K.

1993-10-01

The effects of gypsum and bulk density on the neutron probe calibration curve were studied in the laboratory and in the field. The effect of bulk density was negligible for the soil studied in the laboratory, while it was significant for the field calibration. An increase in the slope of moisture content on a volume basis vs. count ratio with increasing gypsum content at the soil was observed in the laboratory calibration. A simple method for correction of the calibration curve for gypsum content was adopted to obtain a specific curve for each layer. The adapted method requires the gypsum fraction to be estimated for each layer and then incorporated in the calibration curve to improve the coefficient of determination. A field calibration showed an improvement of the determination coefficient by introducing bulk density and gypsum fraction, in addition to count ratio using moisture content on a volume basis as a dependent variable in multi linear regression analysis. The same procedure was successful with variable gravel fractions. (author). 18 refs., 3 figs., 2 tabs

Surface barrier and bulk pinning in MgB$_2$ superconductor

OpenAIRE

Pissas, M.; Moraitakis, E.; Stamopoulos, D.; Papavassiliou, G.; Psycharis, V.; Koutandos, S.

2001-01-01

We present a modified method of preparation of the new superconductor MgB$_2$. The polycrystalline samples were characterized using x-ray and magnetic measurements. The surface barriers control the isothermal magnetization loops in powder samples. In bulk as prepared samples we always observed symmetric magnetization loops indicative of the presence of a bulk pinning mechanism. Magnetic relaxation measurements in the bulk sample reveal a crossover of surface barrier to bulk pinning.

Near-surface and bulk behavior of Ag in SiC

International Nuclear Information System (INIS)

Xiao, H.Y.; Zhang, Y.; Snead, L.L.; Shutthanandan, V.; Xue, H.Z.; Weber, W.J.

2012-01-01

Highlights: ► Ag release from SiC poses problems in safe operation of nuclear reactors. ► Near-surface and bulk behavior of Ag are studied by ab initio and ion beam methods. ► Ag prefers to adsorb on the surface rather than in the bulk SiC. ► At high temperature Ag desorbs from the surface instead of diffusion into bulk SiC. ► Surface diffusion may be a dominating mechanism accounting for Ag release from SiC. - Abstract: The diffusive release of fission products, such as Ag, from TRISO particles at high temperatures has raised concerns regarding safe and economic operation of advanced nuclear reactors. Understanding the mechanisms of Ag diffusion is thus of crucial importance for effective retention of fission products. Two mechanisms, i.e., grain boundary diffusion and vapor or surface diffusion through macroscopic structures such as nano-pores or nano-cracks, remain in debate. In the present work, an integrated computational and experimental study of the near-surface and bulk behavior of Ag in silicon carbide (SiC) has been carried out. The ab initio calculations show that Ag prefers to adsorb on the SiC surface rather than in the bulk, and the mobility of Ag on the surface is high. The energy barrier for Ag desorption from the surface is calculated to be 0.85–1.68 eV, and Ag migration into bulk SiC through equilibrium diffusion process is not favorable. Experimentally, Ag ions are implanted into SiC to produce Ag profiles buried in the bulk and peaked at the surface. High-temperature annealing leads to Ag release from the surface region instead of diffusion into the interior of SiC. It is suggested that surface diffusion through mechanical structural imperfection, such as vapor transport through cracks in SiC coatings, may be a dominating mechanism accounting for Ag release from the SiC in the nuclear reactor.

Independent principal component analysis for simulation of soil water content and bulk density in a Canadian Watershed

Directory of Open Access Journals (Sweden)

Alaba Boluwade

2016-09-01

Full Text Available Accurate characterization of soil properties such as soil water content (SWC and bulk density (BD is vital for hydrologic processes and thus, it is importance to estimate θ (water content and ρ (soil bulk density among other soil surface parameters involved in water retention and infiltration, runoff generation and water erosion, etc. The spatial estimation of these soil properties are important in guiding agricultural management decisions. These soil properties vary both in space and time and are correlated. Therefore, it is important to find an efficient and robust technique to simulate spatially correlated variables. Methods such as principal component analysis (PCA and independent component analysis (ICA can be used for the joint simulations of spatially correlated variables, but they are not without their flaws. This study applied a variant of PCA called independent principal component analysis (IPCA that combines the strengths of both PCA and ICA for spatial simulation of SWC and BD using the soil data set from an 11 km2 Castor watershed in southern Quebec, Canada. Diagnostic checks using the histograms and cumulative distribution function (cdf both raw and back transformed simulations show good agreement. Therefore, the results from this study has potential in characterization of water content variability and bulk density variation for precision agriculture.

Investigation of bulk electron densities for dose calculations on cone-beam CT images

International Nuclear Information System (INIS)

Lambert, J.; Parker, J.; Gupta, S.; Hatton, J.; Tang, C.; Capp, A.; Denham, J.W.; Wright, P.

2010-01-01

Full text: If cone-beam CT images are to be used for dose calculations, then the images must be able to provide accurate electron density information. Twelve patients underwent twice weekly cone-beam CT scans in addition to the planning CT scan. A standardised 5-field treatment plan was applied to 169 of the CBCT images. Doses were calculated using the original electron density values in the CBCT and with bulk electron densities applied. Bone was assigned a density of 288 HU, and all other tissue was assigned to be water equivalent (0 HU). The doses were compared to the dose calculated on the original planning CT image. Using the original HU values in the cone-beam images, the average dose del i vered by the plans from all 12 patients was I. I % lower than the intended 200 cOy delivered on the original CT plans (standard devia tion 0.7%, maximum difference -2.93%). When bulk electron densities were applied to the cone-beam images, the average dose was 0.3% lower than the original CT plans (standard deviation 0.8%, maximum difference -2.22%). Compared to using the original HU values, applying bulk electron densities to the CBCT images improved the dose calculations by almost I %. Some variation due to natural changes in anatomy should be expected. The application of bulk elec tron densities to cone beam CT images has the potential to improve the accuracy of dose calculations due to inaccurate H U values. Acknowledgements This work was partially funded by Cancer Council NSW Grant Number RG 07-06.

Density functional studies: First principles and semiempirical calculations of clusters and surfaces

International Nuclear Information System (INIS)

Sinnott, S.B.

1993-01-01

In the research presented here, various theoretical electronic structure techniques are utilized to analyze widely different systems from silicon clusters to transition metal solids and surfaces. For the silicon clusters, first principles density functional methods are used to investigate Si N for N = 2-8. The goal is to understand the different types of bonding that can occur in such small clusters where the coordination of the atoms differs substantially from that of the stable bulk tetrahedral bonding. Such uncoordinated structures can provide a good test of more approximate theories that can be used eventually to model silicon surfaces, of obvious technological importance. For the transition metal systems, non-self-consistent electronic structure methods are used to provide an understanding of the driving force for surface relaxations. An in-depth analysis of the results is presented and the physical basis of surface relaxation within the theory is discussed. In addition, the limitations inherent in calculations of metal surface relaxation are addressed. Finally, in an effort to increase understanding of approximate methods, a novel non-self-consistent density functional electronic structure method is developed that is ∼1000 times faster computationally than more sophisticated methods. This new method is tested for a variety of systems including diatomics, mixed clusters, surfaces and bulk lattices. The strengths and weaknesses of the new theory are discussed in detail, leading to greater understanding of non-self-consistent density functional theories as a whole

The determination of bulk (apparent) density of plant fibres by density method

International Nuclear Information System (INIS)

Sharifah Hanisah Syed Abd Aziz; Raja Jamal Raja hedar; Zahid Abdullah

2004-01-01

The absolute density of plant fibres excludes all pores and lumen and therefore is a measure of the solid matter of the fibres. On the other hand the bulk density, which is being discussed here, includes all the solid matter and the pores of the fibres. In this work, the apparent density of the fibre was measured by using the Archimedes principle, which involves the immersion of a known weight of fibre into a solvent of lower density than the fibre. Toluene with a density of about 860 kg/m3 was chosen as a solvent. A tuft of fibre was weighed and recorded as W fa . The fibre was then immersed in toluene, which wetted the fibre, and made to rest on the weighing pan submerged in the solvent and the weight of the immersed fibre was recorded as W fs . The apparent density was then calculated using the equation. All the measurements were taken at room temperature. The fibre samples were not oven dried prior to measurement. (Author)

Food Simulating Organic Solvents for Evaluating Crosslink Density of Bulk Fill Composite Resin

Directory of Open Access Journals (Sweden)

Neveen M. Ayad

2017-01-01

Full Text Available Objectives. To evaluate crosslink densities of two bulk fill composite resins and determine if the used Food Simulating Organic Solvent (FSOS affected them. Methods. Forty specimens were prepared from SureFill and SonicFill bulk fill composite resins, 20 each. All specimens were stored dry for 24 h. Each group was divided into 2 subgroups: stored in ethanol (E 75% or in methyl ethyl ketone (MEK 100% for 24 h. Crosslink density was evaluated by calculating the difference between the Vickers hardness numbers of the specimens stored dry and after their storage in FSOS. The data were statistically analyzed using t-test. Results. The means of crosslink density in E and MEK were 6.99% and 9.44% for SureFill and 10.54% and 11.92% for SonicFill, respectively. t-test displayed significant differences between crosslink densities of SureFill and SonicFill: (P<0.0001 in E and (P=0.02 in MEK and between crosslink densities of SureFill in E and MEK (P=0.02. Conclusions. Crosslink density of bulk fill composite resin can be evaluated using E or MEK. SureFill has higher crosslink density than SonicFill in both E and MEK.

Silicene-terminated surface of calcium and strontium disilicides: properties and comparison with bulk structures by computational methods

Science.gov (United States)

Brázda, Petr; Mutombo, Pingo; Ondráček, Martin; Corrêa, Cinthia Antunes; Kopeček, Jaromír; Palatinus, Lukáš

2018-05-01

The bulk and surface structures of calcium and strontium disilicides are investigated by computational methods using density functional theory. The investigated structures are R6, R3 and P1-CaSi2 and P1-SrSi2. The investigated properties are the cleavage energy at the silicene sheet, buckling of the bulk and surface silicene layers, charge transfer from calcium to silicon, band structure of bulk and surface-terminated structures and adsorption energies on H atoms and H2 molecules on the silicene-terminated surface of the R3 phase. The cleavage energy at the silicene surface is low in all cases. Structures P1-CaSi2 and R3-CaSi2 contain silicene sheets with different coordination to Ca, while R6-CaSi2 contains both types of the sheets. It is shown that the properties of the two types of silicene-like sheets in R6-CaSi2 are similar to those of the corresponding sheets in P1-CaSi2 and R3-CaSi2, and the thermodynamically stable R6 phase is a good candidate for experimental investigation of silicene-terminated surface in calcium disilicide.

Nuclear matter with pseudo-particle model: static bulk and surface properties

Energy Technology Data Exchange (ETDEWEB)

Idier, D.; Benhassine, B.; Farine, M.; Remaud, B.; Sebille, F.

1993-12-31

Direct calculations of cold and hot nuclear matter (bulk and surface properties) are carried out within the frame of a pseudo-particle model using a Gaussian decomposition of the distribution function. Comparisons with Hartree-Fock calculations, for a large class of effective interactions, show that such a model is reliable to reproduce accurately the equation of state of nuclear matter for large ranges of densities and temperatures. The number of Gaussian per nucleon and the Gaussian widths are critical parameters in that semi-classical model. (author) 13 refs.; 9 figs.; 2 tabs.

Nuclear matter with pseudo-particle model: static bulk and surface properties

International Nuclear Information System (INIS)

Idier, D.; Benhassine, B.; Farine, M.; Remaud, B.; Sebille, F.

1993-01-01

Direct calculations of cold and hot nuclear matter (bulk and surface properties) are carried out within the frame of a pseudo-particle model using a Gaussian decomposition of the distribution function. Comparisons with Hartree-Fock calculations, for a large class of effective interactions, show that such a model is reliable to reproduce accurately the equation of state of nuclear matter for large ranges of densities and temperatures. The number of Gaussian per nucleon and the Gaussian widths are critical parameters in that semi-classical model. (author) 13 refs.; 9 figs.; 2 tabs

The Relations Between Soil Water Retention Characteristics, Particle Size Distributions, Bulk Densities and Calcium Carbonate Contents for Danish Soils

DEFF Research Database (Denmark)

Jensen, Niels H.; Balstrøm, Thomas; Breuning-Madsen, Henrik

2005-01-01

functions developed in HYPRES (Hydraulic Properties of European Soils). Introducing bulk density as a predictor improved the equation for pressure head –1 kPa but not for lower ones. The grouping of data sets in surface and subsurface horizons or in textural classes did not improve the equations. Based...

Temporary surface passivation for characterisation of bulk defects in silicon : a review

OpenAIRE

Grant, Nicholas E.; Murphy, John D.

2017-01-01

Accurate measurements of the bulk minority carrier lifetime in high-quality silicon materials is challenging due to the influence of surface recombination. Conventional surface passivation processes such as thermal oxidation or dielectric deposition often modify the bulk lifetime significantly before measurement. Temporary surface passivation processes at room or very low temperatures enable a more accurate measurement of the true bulk lifetime, as they limit thermal reconfiguration of bulk d...

X-Ray Fluorescence Determination of the Surface Density of Chromium Nanolayers

Science.gov (United States)

Mashin, N. I.; Chernjaeva, E. A.; Tumanova, A. N.; Ershov, A. A.

2014-01-01

An auxiliary system consisting of thin-film layers of chromium deposited on a polymer film substrate is used to construct calibration curves for the relative intensities of the K α lines of chromium on bulk substrates of different elements as functions of the chromium surface density in the reference samples. Correction coefficients are calculated to take into account the absorption of primary radiation from an x-ray tube and analytical lines of the constituent elements of the substrate. A method is developed for determining the surface density of thin films of chromium when test and calibration samples are deposited on substrates of different materials.

Spin-orbit torque in 3D topological insulator-ferromagnet heterostructure: crossover between bulk and surface transport

KAUST Repository

Ghosh, Sumit; Manchon, Aurelien

2017-01-01

Current-driven spin-orbit torques are investigated in a heterostructure composed of a ferromagnet deposited on top of a three dimensional topological insulator using the linear response formalism. We develop a tight-binding model of the heterostructure adopting a minimal interfacial hybridization scheme that promotes induced magnetic exchange on the topological surface states, as well as induced Rashba-like spin-orbit coupling in the ferromagnet. Therefore, our model accounts for spin Hall effect from bulk states together with inverse spin galvanic and magnetoelectric effects at the interface on equal footing. By varying the transport energy across the band structure, we uncover a crossover from surface-dominated to bulk-dominated transport regimes. We show that the spin density profile and the nature of the spin-orbit torques differ substantially in both regimes. Our results, which compare favorably with experimental observations, demonstrate that the large damping torque reported recently is more likely attributed to interfacial magnetoelectric effect, while spin Hall torque remains small even in the bulk-dominated regime.

Spin-orbit torque in 3D topological insulator-ferromagnet heterostructure: crossover between bulk and surface transport

KAUST Repository

Ghosh, Sumit

2017-11-29

Current-driven spin-orbit torques are investigated in a heterostructure composed of a ferromagnet deposited on top of a three dimensional topological insulator using the linear response formalism. We develop a tight-binding model of the heterostructure adopting a minimal interfacial hybridization scheme that promotes induced magnetic exchange on the topological surface states, as well as induced Rashba-like spin-orbit coupling in the ferromagnet. Therefore, our model accounts for spin Hall effect from bulk states together with inverse spin galvanic and magnetoelectric effects at the interface on equal footing. By varying the transport energy across the band structure, we uncover a crossover from surface-dominated to bulk-dominated transport regimes. We show that the spin density profile and the nature of the spin-orbit torques differ substantially in both regimes. Our results, which compare favorably with experimental observations, demonstrate that the large damping torque reported recently is more likely attributed to interfacial magnetoelectric effect, while spin Hall torque remains small even in the bulk-dominated regime.

Nuclear matter with a pseudo-particle model: static bulk and surface properties

International Nuclear Information System (INIS)

Idier, D.; Benhassine, B.; Farine, M.; Remaud, B.; Sebille, F.

1993-01-01

Direct calculations of cold and hot nuclear matter (bulk and surface properties) are carried out within the frame of a pseudo-particle model using a gaussian decomposition of the distribution function. Comparisons with Hartree-Fock calculations, for a large class of effective interactions, show that such a model is reliable to reproduce accurately the equation of state of nuclear matter for large ranges of densities and temperatures. The number of gaussians per nucleon and the gaussian widths are critical parameters in that semi-classical model. (orig.)

Nuclear matter with a pseudo-particle model: static bulk and surface properties

Energy Technology Data Exchange (ETDEWEB)

Idier, D. (Lab. de Physique Nucleaire CNRS/IN2P3, Univ. de Nantes (France)); Benhassine, B. (Lab. de Physique Nucleaire CNRS/IN2P3, Univ. de Nantes (France)); Farine, M. (Lab. de Physique Nucleaire CNRS/IN2P3, Univ. de Nantes (France)); Remaud, B. (Lab. de Physique Nucleaire CNRS/IN2P3, Univ. de Nantes (France)); Sebille, F. (Lab. de Physique Nucleaire CNRS/IN2P3, Univ. de Nantes (France))

1993-11-15

Direct calculations of cold and hot nuclear matter (bulk and surface properties) are carried out within the frame of a pseudo-particle model using a gaussian decomposition of the distribution function. Comparisons with Hartree-Fock calculations, for a large class of effective interactions, show that such a model is reliable to reproduce accurately the equation of state of nuclear matter for large ranges of densities and temperatures. The number of gaussians per nucleon and the gaussian widths are critical parameters in that semi-classical model. (orig.)

Estimating Soil Bulk Density and Total Nitrogen from Catchment ...

African Journals Online (AJOL)

Even though data on soil bulk density (BD) and total nitrogen (TN) are essential for planning modern farming techniques, their data availability is limited for many applications in the developing word. This study is designed to estimate BD and TN from soil properties, land-use systems, soil types and landforms in the ...

Evaluation of bulk and surfaces absorption edge energy of sol-gel-dip-coating SnO2 thin films

Directory of Open Access Journals (Sweden)

Emerson Aparecido Floriano

2010-12-01

Full Text Available The absorption edge and the bandgap transition of sol-gel-dip-coating SnO2 thin films, deposited on quartz substrates, are evaluated from optical absorption data and temperature dependent photoconductivity spectra. Structural properties of these films help the interpretation of bandgap transition nature, since the obtained nanosized dimensions of crystallites are determinant on dominant growth direction and, thus, absorption energy. Electronic properties of the bulk and (110 and (101 surfaces are also presented, calculated by means of density functional theory applied to periodic calculations at B3LYP hybrid functional level. Experimentally obtained absorption edge is compared to the calculated energy band diagrams of bulk and (110 and (101 surfaces. The overall calculated electronic properties in conjunction with structural and electro-optical experimental data suggest that the nature of the bandgap transition is related to a combined effect of bulk and (101 surface, which presents direct bandgap transition.

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

Science.gov (United States)

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...

THE RELATIONSHIP BETWEEN BULK-DENSITY AND COMPACTIBILITY OF LACTOSE GRANULATIONS

NARCIS (Netherlands)

ZUURMAN, K; RIEPMA, KA; BOLHUIS, GK; VROMANS, H; LERK, CF

1994-01-01

The relationship between the bulk density and the compactibility of lactose granulations was studied. The granulations were prepared from different alpha-lactose monohydrate and roller dried beta-lactose powders by wet granulation, using different techniques with only water as a binder, or by

Concentration polarization, surface currents, and bulk advection in a microchannel

DEFF Research Database (Denmark)

Nielsen, Christoffer Peder; Bruus, Henrik

2014-01-01

. A remarkable outcome of the investigations is the discovery of strong couplings between bulk advection and the surface current; without a surface current, bulk advection is strongly suppressed. The numerical simulations are supplemented by analytical models valid in the long channel limit as well...... as in the limit of negligible surface charge. By including the effects of diffusion and advection in the diffuse part of the electric double layers, we extend a recently published analytical model of overlimiting current due to surface conduction....

Estimating forest canopy bulk density using six indirect methods

Science.gov (United States)

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...

Roles of Bulk and Surface Chemistry in the Oxygen Exchange Kinetics and Related Properties of Mixed Conducting Perovskite Oxide Electrodes

Directory of Open Access Journals (Sweden)

Nicola H. Perry

2016-10-01

Full Text Available Mixed conducting perovskite oxides and related structures serving as electrodes for electrochemical oxygen incorporation and evolution in solid oxide fuel and electrolysis cells, respectively, play a significant role in determining the cell efficiency and lifetime. Desired improvements in catalytic activity for rapid surface oxygen exchange, fast bulk transport (electronic and ionic, and thermo-chemo-mechanical stability of oxygen electrodes will require increased understanding of the impact of both bulk and surface chemistry on these properties. This review highlights selected work at the International Institute for Carbon-Neutral Energy Research (I2CNER, Kyushu University, set in the context of work in the broader community, aiming to characterize and understand relationships between bulk and surface composition and oxygen electrode performance. Insights into aspects of bulk point defect chemistry, electronic structure, crystal structure, and cation choice that impact carrier concentrations and mobilities, surface exchange kinetics, and chemical expansion coefficients are emerging. At the same time, an understanding of the relationship between bulk and surface chemistry is being developed that may assist design of electrodes with more robust surface chemistries, e.g., impurity tolerance or limited surface segregation. Ion scattering techniques (e.g., secondary ion mass spectrometry, SIMS, or low energy ion scattering spectroscopy, LEIS with high surface sensitivity and increasing lateral resolution are proving useful for measuring surface exchange kinetics, diffusivity, and corresponding outer monolayer chemistry of electrodes exposed to typical operating conditions. Beyond consideration of chemical composition, the use of strain and/or a high density of active interfaces also show promise for enhancing performance.

Effect of density increase on self-absorption property of bulk samples

International Nuclear Information System (INIS)

Dao Anh Minh; Tran Duc Thiep

1990-01-01

Asymptotic behaviour due to self-absorption of photon attenuation function in terms of material density for bulk samples has been considered. Some practical applications have also been presented. (author). 9 refs., 4 figs., 2 tabs

Surface effects on mean inner potentials studied using density functional theory

Energy Technology Data Exchange (ETDEWEB)

Pennington, Robert S., E-mail: robert.pennington@uni-ulm.de [Institute for Experimental Physics, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm (Germany); Boothroyd, Chris B.; Dunin-Borkowski, Rafal E. [Ernst Ruska-Centre and Peter Grüneberg Institute, Forschungzentrum Jülich, 52425 Jülich (Germany)

2015-12-15

Quantitative materials characterization using electron holography frequently requires knowledge of the mean inner potential, but reported experimental mean inner potential measurements can vary widely. Using density functional theory, we have simulated the mean inner potential for materials with a range of different surface conditions and geometries. We use both “thin-film” and “nanowire” specimen geometries. We consider clean bulk-terminated surfaces with different facets and surface reconstructions using atom positions from both structural optimization and experimental data and we also consider surfaces both with and without adsorbates. We find that the mean inner potential is surface-dependent, with the strongest dependency on surface adsorbates. We discuss the outlook and perspective for future mean inner potential measurements. - Highlights: • Density functional theory (DFT) is used to simulate mean inner potentials (MIP). • Applications for MIP electron holography measurements are considered. • MIPs are found to be surface-dependent, for thin-film and nanowire geometries. • The DFT simulation precision is extensively tested for multiple materials. • Surface adsorbates can create a strong positive or negative effect.

Tapping of Love waves in an isotropic surface waveguide by surface-to-bulk wave transduction.

Science.gov (United States)

Tuan, H.-S.; Chang, C.-P.

1972-01-01

A theoretical study of tapping a Love wave in an isotropic microacoustic surface waveguide is given. The surface Love wave is tapped by partial transduction into a bulk wave at a discontinuity. It is shown that, by careful design of the discontinuity, the converted bulk wave power and the radiation pattern may be controlled. General formulas are derived for the calculation of these important characteristics from a relatively general surface contour deformation.

Topological surface states interacting with bulk excitations in the Kondo insulator SmB6 revealed via planar tunneling spectroscopy.

Science.gov (United States)

Park, Wan Kyu; Sun, Lunan; Noddings, Alexander; Kim, Dae-Jeong; Fisk, Zachary; Greene, Laura H

2016-06-14

Samarium hexaboride (SmB6), a well-known Kondo insulator in which the insulating bulk arises from strong electron correlations, has recently attracted great attention owing to increasing evidence for its topological nature, thereby harboring protected surface states. However, corroborative spectroscopic evidence is still lacking, unlike in the weakly correlated counterparts, including Bi2Se3 Here, we report results from planar tunneling that unveil the detailed spectroscopic properties of SmB6 The tunneling conductance obtained on the (001) and (011) single crystal surfaces reveals linear density of states as expected for two and one Dirac cone(s), respectively. Quite remarkably, it is found that these topological states are not protected completely within the bulk hybridization gap. A phenomenological model of the tunneling process invoking interaction of the surface states with bulk excitations (spin excitons), as predicted by a recent theory, provides a consistent explanation for all of the observed features. Our spectroscopic study supports and explains the proposed picture of the incompletely protected surface states in this topological Kondo insulator SmB6.

Bulk-mediated surface diffusion: non-Markovian desorption dynamics

International Nuclear Information System (INIS)

Revelli, Jorge A; Budde, Carlos E; Prato, Domingo; Wio, Horacio S

2005-01-01

Here we analyse the dynamics of adsorbed molecules within the bulk-mediated surface diffusion framework, when the particle's desorption mechanism is characterized by a non-Markovian process, while the particle's adsorption as well as its motion in the bulk is governed by Markovian dynamics. We study the diffusion of particles in both semi-infinite and finite cubic lattices, analysing the conditional probability to find the system on the reference absorptive plane as well as the surface dispersion as functions of time. The results are compared with known Markovian cases showing the differences that can be exploited to distinguish between Markovian and non-Markovian desorption mechanisms in experimental situations

Porous 3D graphene-based bulk materials with exceptional high surface area and excellent conductivity for supercapacitors

Science.gov (United States)

Zhang, Long; Zhang, Fan; Yang, Xi; Long, Guankui; Wu, Yingpeng; Zhang, Tengfei; Leng, Kai; Huang, Yi; Ma, Yanfeng; Yu, Ao; Chen, Yongsheng

2013-01-01

Until now, few sp2 carbon materials simultaneously exhibit superior performance for specific surface area (SSA) and electrical conductivity at bulk state. Thus, it is extremely important to make such materials at bulk scale with those two outstanding properties combined together. Here, we present a simple and green but very efficient approach using two standard and simple industry steps to make such three-dimensional graphene-based porous materials at the bulk scale, with ultrahigh SSA (3523 m2/g) and excellent bulk conductivity. We conclude that these materials consist of mainly defected/wrinkled single layer graphene sheets in the dimensional size of a few nanometers, with at least some covalent bond between each other. The outstanding properties of these materials are demonstrated by their superior supercapacitor performance in ionic liquid with specific capacitance and energy density of 231 F/g and 98 Wh/kg, respectively, so far the best reported capacitance performance for all bulk carbon materials. PMID:23474952

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

Science.gov (United States)

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

2017-09-22

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

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

Science.gov (United States)

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...

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

Science.gov (United States)

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.

Organic carbon organic matter and bulk density relationships in arid ...

African Journals Online (AJOL)

Soil organic matter (SOM) and soil organic carbon (SOC) constitute usually a small portion of soil, but they are one of the most important components of ecosystems. Bulk density (dB or BD) value is necessary to convert organic carbon (OC) content per unit area. Relationships between SOM, SOC and BD were established ...

Solvent Composition Directing Click-Functionalization at the Surface or in the Bulk of Azide-Modified PEDOT

DEFF Research Database (Denmark)

Lind, Johan Ulrik; Hansen, Thomas Steen; Daugaard, Anders Egede

2011-01-01

Thin films of the conducting polymer poly(3,4-(1-azidomethylethylene)dioxythiophene) tosylate (PEDOT−N3) can be functionalized by reaction with alkynated reagents in aqueous solutions. Reaction in pure water resulted in surface specific modification of PEDOT−N3 films, whereas both surface and bulk...... studies showed increasing film thickness with increasing DMSO content, with the measured thickness in pure DMSO being >250% of the thickness in pure water. A similar, but less pronounced, behavior was observed for unmodified poly(3,4-ethylenedioxythiophene) tosylate (PEDOT). High-density grafting...

Surface tension and density of liquid In-Sn-Zn alloys

Science.gov (United States)

Pstruś, Janusz

2013-01-01

Using the dilatometric method, measurements of the density of liquid alloys of the ternary system In-Sn-Zn in four sections with a constant ratio Sn:In = 24:1, 3:1, 1:1, 1:3, for various Zn additions (5, 10, 14, 20, 3 5, 50 and 75 at.% Zn) were performed at the temperature ranges of 500-1150 K. Density decreases linearly for all compositions. The molar volume calculated from density data exhibits close to ideal dependence on composition. Measurements of the surface tension of liquid alloys have been conducted using the method of maximum pressure in the gas bubbles. There were observed linear dependences on temperature with a negative gradients dσ/dT. Generally, with two exceptions, there was observed the increase of surface tension with increasing content of zinc. Using the Butler's model, the surface tension isotherms were calculated for temperatures T = 673 and 1073 K. Calculations show that only for high temperatures and for low content of zinc (up to about 35 at.%), the modeling is in very good agreement with experiment. Using the mentioned model, the composition of the surface phase was defined at two temperatures T = 673 and 973 K. Regardless of the temperature and of the defined section, the composition of the bulk is very different in comparison with the composition of the surface.

Effect of collimator size and absorber thickness on soil bulk density evaluation by gamma-ray attenuation

International Nuclear Information System (INIS)

Costa, J.C.; Borges, J.A.R.; Pires, L.F.

2014-01-01

Representative measurements of the soil bulk density (ρ s ) can be affected depending on the geometry selected for gamma-ray attenuation (GRA) measurements. In this study, the effect of collimator size (2–4 mm diameters) and absorber thickness (2–15 cm) on ρ s measurements of sandy and clayey soils was investigated. In summary, the results obtained for the 137 Cs show that ρ s remained fairly constant for values of thickness larger than 7 cm (both soils). The very same result was observed for collimator sizes 2–4 mm. Regarding the 241 Am source, ρ s values presented variations with the collimator size (both soils) for the different thicknesses. The best values of ρ s were obtained for samples smaller than 5 cm and also for the small collimator diameters. - Highlights: ► Representative measurements of the soil bulk density by gamma-ray attenuation. ► For 137 Cs the best bulk density values were obtained for samples larger than 7 cm. ► For 241 Am the best bulk density values were obtained for samples smaller than 5 cm

Spin-orbit torque in a three-dimensional topological insulator–ferromagnet heterostructure: Crossover between bulk and surface transport

KAUST Repository

Ghosh, Sumit; Manchon, Aurelien

2018-01-01

Current-driven spin-orbit torques are investigated in a heterostructure composed of a ferromagnet deposited on top of a three-dimensional topological insulator using the linear response formalism. We develop a tight-binding model of the heterostructure adopting a minimal interfacial hybridization scheme that promotes induced magnetic exchange on the topological surface states, as well as induced Rashba-like spin-orbit coupling in the ferromagnet. Therefore our model accounts for the spin Hall effect from bulk states together with inverse spin galvanic and magnetoelectric effects at the interface on equal footing. By varying the transport energy across the band structure, we uncover a crossover from surface-dominated to bulk-dominated transport regimes. We show that the spin density profile and the nature of the spin-orbit torques differ substantially in both regimes. Our results, which compare favorably with experimental observations, demonstrate that the large dampinglike torque reported recently is more likely attributed to the Berry curvature of interfacial states, while spin Hall torque remains small even in the bulk-dominated regime.

Spin-orbit torque in a three-dimensional topological insulator–ferromagnet heterostructure: Crossover between bulk and surface transport

KAUST Repository

Ghosh, Sumit

2018-04-02

Current-driven spin-orbit torques are investigated in a heterostructure composed of a ferromagnet deposited on top of a three-dimensional topological insulator using the linear response formalism. We develop a tight-binding model of the heterostructure adopting a minimal interfacial hybridization scheme that promotes induced magnetic exchange on the topological surface states, as well as induced Rashba-like spin-orbit coupling in the ferromagnet. Therefore our model accounts for the spin Hall effect from bulk states together with inverse spin galvanic and magnetoelectric effects at the interface on equal footing. By varying the transport energy across the band structure, we uncover a crossover from surface-dominated to bulk-dominated transport regimes. We show that the spin density profile and the nature of the spin-orbit torques differ substantially in both regimes. Our results, which compare favorably with experimental observations, demonstrate that the large dampinglike torque reported recently is more likely attributed to the Berry curvature of interfacial states, while spin Hall torque remains small even in the bulk-dominated regime.

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

Science.gov (United States)

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.

Surface-spin magnetism of antiferromagnetic NiO in nanoparticle and bulk morphology

International Nuclear Information System (INIS)

Jagodic, M; Jaglicic, Z; Jelen, A; Dolinsek, J; Lee, Jin Bae; Kim, Hae Jin; Kim, Young-Min

2009-01-01

The surface-spin magnetism of the antiferromagnetic (AFM) material NiO in nanoparticle and bulk morphology was investigated by magnetic measurements (temperature-dependent zero-field-cooled (zfc) and field-cooled (fc) dc susceptibility, ac susceptibility and zfc and fc hysteresis loops). We addressed the question of whether the multisublattice ordering of the uncompensated surface spins and the exchange bias (EB) effect are only present in the nanoparticles, originating from their high surface-to-volume ratio or if these surface phenomena are generally present in the AFM materials regardless of their bulky or nanoparticle morphology, but the effect is just too small to be detected experimentally in the bulk due to a very small surface magnetization. Performing experiments on the NiO nanoparticles of different sizes and bulk NiO grains, we show that coercivity enhancement and hysteresis loop shift in the fc experiments, considered to be the key experimental manifestations of multisublattice ordering and the EB effect, are true nanoscale phenomena only present in the nanoparticles and absent in the bulk.

X-Ray photoelectron spectroscopy and diffractometry of MnOx catalysts: surface to bulk composition relationships

International Nuclear Information System (INIS)

Zaki, M.I.; Kappenstein, C.

1992-01-01

Surface and bulk analyses of variously-composed, synthetic MnO x catalysts were carried out by means of X-ray photoelectron spectroscopy (XPS) and diffractometry (XRD), respectively. The data obtained were processed for a comprehensive assessment of bulk and surface compositions, surface oxidation state, and crystalline size. The XPS data processing revealed that a credible assessment of the surface composition (MnO x (OH) y (OH 2 ) z necessitates: (i) the implementation of experimental sensitivity factors determined on a local reference surface maintaining a close chemical similarity to the test materials, and (ii) the fine evaluation of contributions of various oxygen-containing surface species to the O 1s electron emission. The most prominent result of the present investigation is that the exposure of the bulk composition at the surface is quite proportioned. Such a surface to bulk intimacy is thought to enable genesizing the surface composition appropriate for certain catalytic and selectivity, via a possible control over the bulk formation events. (orig.)

POWER SPECTRAL DENSITY OF FLUCTUATIONS OF BULK AND THERMAL SPEEDS IN THE SOLAR WIND

International Nuclear Information System (INIS)

Šafránková, J.; Němeček, Z.; Němec, F.; Přech, L.; Chen, C. H. K.; Zastenker, G. N.

2016-01-01

This paper analyzes solar wind power spectra of bulk and thermal speed fluctuations that are computed with a time resolution of 32 ms in the frequency range of 0.001–2 Hz. The analysis uses measurements of the Bright Monitor of the Solar Wind on board the Spektr-R spacecraft that are limited to 570 km s 1 bulk speed. The statistics, based on more than 42,000 individual spectra, show that: (1) the spectra of bulk and thermal speeds can be fitted by two power-law segments; (2) despite their large variations, the parameters characterizing frequency spectrum fits computed on each particular time interval are very similar for both quantities; (3) the median slopes of the bulk and thermal speeds of the segment attributed to the MHD scale are 1.43 and 1.38, respectively, whereas they are 3.08 and 2.43 in the kinetic range; (4) the kinetic range slopes of bulk and thermal speed spectra become equal when either the ion density or magnetic field strength are high; (5) the break between MHD and kinetic scales seems to be controlled by the ion β parameter; (6) the best scaling parameter for bulk and thermal speed variations is a sum of the inertial length and proton thermal gyroradius; and (7) the above conclusions can be applied to the density variations if the background magnetic field is very low.

POWER SPECTRAL DENSITY OF FLUCTUATIONS OF BULK AND THERMAL SPEEDS IN THE SOLAR WIND

Energy Technology Data Exchange (ETDEWEB)

Šafránková, J.; Němeček, Z.; Němec, F.; Přech, L. [Charles University, Faculty of Mathematics and Physics, V Holešovičkách 2, 180 00 Prague 8 (Czech Republic); Chen, C. H. K. [Department of Physics, Imperial College London, London SW7 2AZ (United Kingdom); Zastenker, G. N., E-mail: jana.safrankova@mff.cuni.cz [Space Research Institute of Russian Academy of Sciences, Moscow, Russia, Profsoyuznaya ul. 84/32, Moscow 117997 (Russian Federation)

2016-07-10

This paper analyzes solar wind power spectra of bulk and thermal speed fluctuations that are computed with a time resolution of 32 ms in the frequency range of 0.001–2 Hz. The analysis uses measurements of the Bright Monitor of the Solar Wind on board the Spektr-R spacecraft that are limited to 570 km s{sup 1} bulk speed. The statistics, based on more than 42,000 individual spectra, show that: (1) the spectra of bulk and thermal speeds can be fitted by two power-law segments; (2) despite their large variations, the parameters characterizing frequency spectrum fits computed on each particular time interval are very similar for both quantities; (3) the median slopes of the bulk and thermal speeds of the segment attributed to the MHD scale are 1.43 and 1.38, respectively, whereas they are 3.08 and 2.43 in the kinetic range; (4) the kinetic range slopes of bulk and thermal speed spectra become equal when either the ion density or magnetic field strength are high; (5) the break between MHD and kinetic scales seems to be controlled by the ion β parameter; (6) the best scaling parameter for bulk and thermal speed variations is a sum of the inertial length and proton thermal gyroradius; and (7) the above conclusions can be applied to the density variations if the background magnetic field is very low.

Thermal, spectral, and surface properties of LED light-polymerized bulk fill resin composites.

Science.gov (United States)

Pişkin, Mehmet Burçin; Atalı, Pınar Yılmaz; Figen, Aysel Kantürk

2015-02-01

The aim of this study was to evaluate the thermal, spectral, and surface properties of four different bulk fill materials – SureFil SDR (SDR, Dentsplay DETREY), QuixFil (QF, Dentsplay DETREY), X-tra base (XB, Voco) X-tra fil (XF, Voco) – polymerized by light-emitting diode (LED). Resin matrix, filler type, size and amount, and photoinitiator types influence the degree of conversion. LED-cured bulk fill composites achieved sufficient polymerization. Scanning electron microscope (SEM) analysis revealed different patterns of surface roughness, depending on the composite material. Bulk fill materials showed surface characteristics similar to those of nanohybrid composites. Based on the thermal analysis results, glass transition (T(g)) and initial degradation (T(i)) temperatures changed depending on the bulk fill resin composites.

Millimeter wave surface resistance of grain-aligned Y1Ba2Cu3Ox bulk material

International Nuclear Information System (INIS)

Wosik, J.; Kranenburg, R.A.; Wolfe, J.C.; Selvamanickam, V.; Salama, K.

1991-01-01

We report measurements of the millimeter wave surface resistance of grain-aligned YBa 2 Cu 3 O x bulk material grown by a liquid phase process. The measurements were performed by replacing the endplate of a TE 011 cylindrical copper cavity with the superconducting sample. Surface resistance was measured for samples with surfaces oriented perpendicular and parallel to the c-axis of the grains. We show that, for the parallel configuration, the surface resistance at 77 K and 80 GHz is typically near 100 mΩ. For a very well-aligned sample with a very low density of Y 2 BaCuO y precipitates, measured in the perpendicular configuration, the transition width (10%--90%) is about 2 K and the surface resistance is less than 50 mΩ at 88 K. The effect of microstructure on surface resistance is discussed

Evaluating effect of surface state density at the interfaces in degraded bulk heterojunction organic solar cell

International Nuclear Information System (INIS)

Arora, Swati; Singh, Vinamrita; Arora, Manoj; Pal Tandon, Ram

2012-01-01

Degradation and short shelf life have been observed experimentally in poly(3-hexylthiophene) (P3HT): 6,6-phenyl C61-butyric acid methyl ester (PCBM) based blend solar cells. Both dark and illuminated current-voltage characteristics could be explained quantitatively with a proposed single model for a typical degraded organic solar cell-glass/ITO/PEDOT:PSS/P3HT:PCBM/Al. It has been found that surface state density, interface thickness, tunneling coefficient and occupation probabilities of the interface states becomes important with the passage of time. To look into the problem the activity at ITO/PEDOT:PSS and P3HT:PCBM/Al interfaces are studied using realistic values of the interfaces. The experimental J-V characteristics is well explained with the inclusion of tunneling current through these surface states and becomes the dominant current component for the degraded cell. It is also found that surface state density increases to 10 12 -10 13 cm -2 eV -1 , which has been verified with C-V measurements and also is in agreement with our proposed model for BHJ solar cell after 150 h of fabrication.

Evaluating effect of surface state density at the interfaces in degraded bulk heterojunction organic solar cell

Energy Technology Data Exchange (ETDEWEB)

Arora, Swati, E-mail: drswatia@yahoo.com [Department of Physics, Zakir Husain College, University of Delhi, Delhi 110002 (India); Singh, Vinamrita [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Arora, Manoj [Department of Physics, Ramjas College, University of Delhi, Delhi 110007 (India); Pal Tandon, Ram [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India)

2012-08-01

Degradation and short shelf life have been observed experimentally in poly(3-hexylthiophene) (P3HT): 6,6-phenyl C61-butyric acid methyl ester (PCBM) based blend solar cells. Both dark and illuminated current-voltage characteristics could be explained quantitatively with a proposed single model for a typical degraded organic solar cell-glass/ITO/PEDOT:PSS/P3HT:PCBM/Al. It has been found that surface state density, interface thickness, tunneling coefficient and occupation probabilities of the interface states becomes important with the passage of time. To look into the problem the activity at ITO/PEDOT:PSS and P3HT:PCBM/Al interfaces are studied using realistic values of the interfaces. The experimental J-V characteristics is well explained with the inclusion of tunneling current through these surface states and becomes the dominant current component for the degraded cell. It is also found that surface state density increases to 10{sup 12}-10{sup 13} cm{sup -2} eV{sup -1}, which has been verified with C-V measurements and also is in agreement with our proposed model for BHJ solar cell after 150 h of fabrication.

Mathematical modelling in simulate bulk density as a function of shrinkage and collapse mechanics during drying of food products

NARCIS (Netherlands)

Almeida-Rivera, C.; Khalloufi, S.; Janssen, J.; Bongers, P.M.M.; Pierucci, S.; Buzzi Ferraris, G.

2010-01-01

During drying, food products undergo several physical and structural changes. These changes have a direct impact on properties such as bulk density which is involved in heat and mass transfer processes. Therefore, the prediction of the bulk density as function of water content will be an interesting

Millimeter wave surface resistance of grain-aligned Y1Ba2Cu3O(x) bulk material

International Nuclear Information System (INIS)

Wosik, J.; Kranenburg, R.A.; Wolfe, J.C.; Selvamanickam, V.; Salama, K.

1990-04-01

Measurements are reported of the millimeter-wave surface resistance of grain-aligned YBa2Cu3O(x) bulk material grown by a liquid-phase process. The measurements were performed by replacing the endplate of a TE(011) cylindrical copper cavity with the superconducting sample. Surface resistance was measured for samples with surfaces oriented perpendicular and parallel to the c-axis of the grains. For the parallel configuration, the surface resistance at 77 K and 80 GHz is given. For a very well-aligned sample with a very low density of Y2BaCuO(y) precipitates, measured in the perpendicular configuration, the transition width (10-90 percent) is about 2 K and the surface resistance is derived at 88 K. The effect of microstructure on surface resistance is discussed. 19 refs

Surface density of spacetime degrees of freedom from equipartition law in theories of gravity

International Nuclear Information System (INIS)

Padmanabhan, T.

2010-01-01

I show that the principle of equipartition, applied to area elements of a surface ∂V which are in equilibrium at the local Davies-Unruh temperature, allows one to determine the surface number density of the microscopic spacetime degrees of freedom in any diffeomorphism invariant theory of gravity. The entropy associated with these degrees of freedom matches with the Wald entropy for the theory. This result also allows one to attribute an entropy density to the spacetime in a natural manner. The field equations of the theory can then be obtained by extremizing this entropy. Moreover, when the microscopic degrees of freedom are in local thermal equilibrium, the spacetime entropy of a bulk region resides on its boundary.

Nuclear techniques for bulk and surface analysis of materials

International Nuclear Information System (INIS)

D'Agostino, M.D.; Kamykowski, E.A.; Kuehne, F.J.; Padawer, G.M.; Schneid, E.J.; Schulte, R.L.; Stauber, M.C.; Swanson, F.R.

1978-01-01

A review is presented summarizing several nondestructive bulk and surface analysis nuclear techniques developed in the Grumman Research Laboratories. Bulk analysis techniques include 14-MeV-neutron activation analysis and accelerator-based neutron radiography. The surface analysis techniques include resonant and non-resonant nuclear microprobes for the depth profile analysis of light elements (H, He, Li, Be, C, N, O and F) in the surface of materials. Emphasis is placed on the description and discussion of the unique nuclear microprobe analytical capacibilities of immediate importance to a number of current problems facing materials specialists. The resolution and contrast of neutron radiography was illustrated with an operating heat pipe system. The figure shows that the neutron radiograph has a resolution of better than 0.04 cm with sufficient contrast to indicate Freon 21 on the inner capillaries of the heat pipe and pooling of the liquid at the bottom. (T.G.)

Development of Low Density CaMg-A1-Based Bulk Metallic Glasses (Preprint)

National Research Council Canada - National Science Library

Senkov, O. N; Scott, J. M; Miracle, D. B

2006-01-01

Low density Ca-Mg-Al-based bulk metallic glasses containing additionally Cu and Zn, were produced by a copper mold casting method as wedge-shaped samples with thicknesses varying from 0.5 mm to 10 rom...

Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

Energy Technology Data Exchange (ETDEWEB)

Lollobrigida, V. [Dipartimento di Scienze, Università Roma Tre, I-00146 Rome (Italy); Dipartimento di Matematica e Fisica, Università Roma Tre, I-00146 Rome (Italy); Basso, V.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F. [Istituto Nazionale di Ricerca Metrologica (INRIM), I-10135 Torino (Italy); Borgatti, F. [CNR, Istituto per lo Studio dei Materiali Nanostrutturati (ISMN), I-40129 Bologna (Italy); Torelli, P.; Panaccione, G. [CNR, Istituto Officina dei Materiali (IOM), Lab. TASC, I-34149 Trieste (Italy); Tortora, L. [Laboratorio di Analisi di Superficie, Dipartimento di Matematica e Fisica, Università Roma Tre, I-00146 Rome (Italy); Dipartimento di Ingegneria Meccanica, Università Tor Vergata, I-00133 Rome (Italy); Stefani, G.; Offi, F. [Dipartimento di Scienze, Università Roma Tre, I-00146 Rome (Italy)

2014-05-28

We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

Science.gov (United States)

Lollobrigida, V.; Basso, V.; Borgatti, F.; Torelli, P.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F.; Tortora, L.; Stefani, G.; Panaccione, G.; Offi, F.

2014-05-01

We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

International Nuclear Information System (INIS)

Lollobrigida, V.; Basso, V.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F.; Borgatti, F.; Torelli, P.; Panaccione, G.; Tortora, L.; Stefani, G.; Offi, F.

2014-01-01

We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

Tuning apparent friction coefficient by controlled patterning bulk metallic glasses surfaces

Science.gov (United States)

Li, Ning; Xu, Erjiang; Liu, Ze; Wang, Xinyun; Liu, Lin

2016-12-01

Micro-honeycomb structures with various pitches between adjacent cells were hot-embossed on Zr35Ti30Cu8.25Be26.75 bulk metallic glass surface. The effect of pitch geometry on the frictional behavior of metallic glass surface was systematically investigated. The results revealed that all textured metallic glass surfaces show a reduction in friction coefficient compared to smooth surface. More intriguingly, the friction coefficient first decreased and then increased gradually with increasing pitches. Such unique behavior can be understood fundamentally from the perspective of competing effects between contact area and local stress level with increasing pitches. This finding not only enhance the in-depth understanding of the mechanism of the significant role of surface topography on the frictional behavior of metallic glass surface, but also opens a new route towards other functional applications for bulk metallic glasses.

Quasiparticle interference of the Fermi arcs and surface-bulk connectivity of a Weyl semimetal.

Science.gov (United States)

Inoue, Hiroyuki; Gyenis, András; Wang, Zhijun; Li, Jian; Oh, Seong Woo; Jiang, Shan; Ni, Ni; Bernevig, B Andrei; Yazdani, Ali

2016-03-11

Weyl semimetals host topologically protected surface states, with arced Fermi surface contours that are predicted to propagate through the bulk when their momentum matches that of the surface projections of the bulk's Weyl nodes. We used spectroscopic mapping with a scanning tunneling microscope to visualize quasiparticle scattering and interference at the surface of the Weyl semimetal TaAs. Our measurements reveal 10 different scattering wave vectors, which can be understood and precisely reproduced with a theory that takes into account the shape, spin texture, and momentum-dependent propagation of the Fermi arc surface states into the bulk. Our findings provide evidence that Weyl nodes act as sinks for electron transport on the surface of these materials. Copyright © 2016, American Association for the Advancement of Science.

Simultaneous surface engineering and bulk hardening of precipitation hardening stainless steel

DEFF Research Database (Denmark)

Frandsen, Rasmus Berg; Christiansen, Thomas; Somers, Marcel A. J.

2006-01-01

This article addresses simultaneous bulk precipitation hardening and low temperature surface engineering of two commercial precipitation hardening stainless steels: Sandvik Nanoflex® and Uddeholm Corrax®. Surface engineering comprised gaseous nitriding or gaseous carburising. Microstructural....... The duration and temperature of the nitriding/carburising surface hardening treatment can be chosen in agreement with the thermal treatment for obtaining optimal bulk hardness in the precipitation hardening stainless steel....... characterisation of the cases developed included X-ray diffraction analysis, reflected light microscopy and micro-hardness testing. It was found that the incorporation of nitrogen or carbon resulted in a hardened case consisting of a combination of (tetragonal) martensite and expanded (cubic) austenite...

Neutron Gauge Calibration Curve as Affected by Chloride Concentration and Bulk Density of Loam Soil

International Nuclear Information System (INIS)

AL-Hasani, A.A.; Fahad, A.A.; Shihab, R.M.

2010-01-01

chloride concentration and bulk density are considered among important factors affecting calibration curve of neutron gauge in the soil.The aim of this study was to investigate the effect of chloride concentration and bulk density of a loam soil on neutron gauge calibration curve.Sufficient amount of loam soil was air dried screened through a 2 mm sieve,and divided into three equal portions.Sodium chloride of 2.5 and 6.6g kg'-1 soil was added to the first and second portions,respectively.The third portion was left as a control.The soil then moistened and mixed well to make volumetric water content within the range of 0.01 to 0.24 cm 3 cm - 3. The moist soil was packed into an iron drum 0.80 m diameter and 1.00 m height to obtain bulk densities of 1.10 and 1.30 to 1.60 Mg m - 3 for uncompacted soil,respectively.Access tube 0.05 m inner diameter was installed in the center of the drum.Three readings from CPN 503 neutron gauge were taken at each 0.15,0.30, 0.45,and 0.75 m depth.Results indicated that the count (counts/standard count) for an aqueous solution decreased with the increase in chloride concentration.Similarly, the slope of the linear calibration curves of the investigated soil decreased with the increase in chloride concentration.Shifting of the curves was 9 to 10%for the uncompacted soil, whereas it was 12 to 14 % for the compacted of low and high concentration of chloride, respectively . Results of changing bulk density always reduced the slope value as compared with the uncorrected count ratio.

Quantum effects on propagation of bulk and surface waves in a thin quantum plasma film

International Nuclear Information System (INIS)

Moradi, Afshin

2015-01-01

The propagation of bulk and surface plasma waves in a thin quantum plasma film is investigated, taking into account the quantum effects. The generalized bulk and surface plasma dispersion relation due to quantum effects is derived, using the quantum hydrodynamic dielectric function and applying appropriate additional boundary conditions. The quantum mechanical and film geometric effects on the bulk and surface modes are discussed. It is found that quantum effects become important for a thin film of small thickness. - Highlights: • New bulk and surface plasma dispersion relations due to quantum effects are derived, in a thin quantum plasma film. • It is found that quantum effects become important for a thin quantum film of small thickness

Band selection and disentanglement using maximally localized Wannier functions: the cases of Co impurities in bulk copper and the Cu(111) surface

Energy Technology Data Exchange (ETDEWEB)

Korytar, Richard; Pruneda, Miguel; Ordejon, Pablo; Lorente, Nicolas [Centre d' Investigacio en Nanociencia i Nanotecnologia (CSIC-ICN), Campus de la UAB, E-08193 Bellaterra (Spain); Junquera, Javier, E-mail: rkorytar@cin2.e [Departamento de Ciencias de la Tierra y Fisica de la Materia Condensada, Universidad de Cantabria, E-39005 Santander (Spain)

2010-09-29

We have adapted the maximally localized Wannier function approach of Souza et al (2002 Phys. Rev. B 65 035109) to the density functional theory based SIESTA code (Soler et al 2002 J. Phys.: Condens. Mater. 14 2745) and applied it to the study of Co substitutional impurities in bulk copper as well as to the Cu(111) surface. In the Co impurity case, we have reduced the problem to the Co d-electrons and the Cu sp-band, permitting us to obtain an Anderson-like Hamiltonian from well defined density functional parameters in a fully orthonormal basis set. In order to test the quality of the Wannier approach to surfaces, we have studied the electronic structure of the Cu(111) surface by again transforming the density functional problem into the Wannier representation. An excellent description of the Shockley surface state is attained, permitting us to be confident in the application of this method to future studies of magnetic adsorbates in the presence of an extended surface state.

How accurate are pedotransfer functions for bulk density for Brazilian soils?

Directory of Open Access Journals (Sweden)

Raquel Stucchi Boschi

Full Text Available ABSTRACT: The aim of this study was to evaluate the performance of pedotransfer functions (PTFs available in the literature to estimate soil bulk density (ρb in different regions of Brazil, using different metrics. The predictive capacity of 25 PTFs was evaluated using the mean absolute error (MAE, mean error (ME, root mean squared error (RMSE, coefficient of determination (R2 and the regression error characteristic (REC curve. The models performed differently when comparing observed and estimated ρb values. In general, the PTFs showed a performance close to the mean value of the bulk density data, considered as the simplest possible estimation of an attribute and used as a parameter to compare the performance of existing models (null model. The models developed by Benites et al. (2007 (BEN-C and by Manrique and Jones (1991 (M&J-B presented the best results. The separation of data into two layers according to depth (0-10 cm and 10-30 cm demonstrated better performance in the 10-30 cm layer. The REC curve allowed for a simple and visual evaluation of the PTFs.

Millimeter wave surface resistance of grain-aligned Y1Ba2Cu3O(x) bulk material

Science.gov (United States)

Wosik, J.; Kranenburg, R. A.; Wolfe, J. C.; Selvamanickam, V.; Salama, K.

1991-01-01

Measurements of the millimeter wave surface resistance of grain-aligned YBa2Cu3O(x) bulk material grown by a liquid phase process are reported. The measurements were performed by replacing the endplate of a TE011 cylindrical copper cavity with the superconducting sample. Surface resistance was measured for samples with surfaces oriented perpendicular and parallel to the c-axis of the grains. It is shown that, for the parallel configuration, the surface resistance at 77 K and 80 GHz is typically near 100 milliohms. For a very well-aligned sample with a very low density of Y2BaCuO(y) precipitates, measured in the perpendicular configuration, the transition width (10-90 percent) is about 2 K, and the surface resistance is less than 50 milliohms at 88 K. The effect of microstructure on surface resistance is discussed.

Soil Aggregation, Organic Carbon Concentration, and Soil Bulk Density As Affected by Cover Crop Species in a No-Tillage System

Directory of Open Access Journals (Sweden)

Adriano Stephan Nascente

2015-06-01

Full Text Available Soil aggregation and the distribution of total organic carbon (TOC may be affected by soil tillage and cover crops. The objective of this study was to determine the effects of crop rotation with cover crops on soil aggregation, TOC concentration in the soil aggregate fractions, and soil bulk density under a no-tillage system (NTS and conventional tillage system (CTS, one plowing and two disking. This was a three-year study with cover crop/rice/cover crop/rice rotations in the Brazilian Cerrado. A randomized block experimental design with six treatments and three replications was used. The cover crops (treatments were: fallow, Panicum maximum, Brachiaria ruziziensis, Brachiaria brizantha, and millet (Pennisetum glaucum. An additional treatment, fallow plus CTS, was included as a control. Soil samples were collected at the depths of 0.00-0.05 m, 0.05-0.10 m, and 0.10-0.20 m after the second rice harvest. The treatments under the NTS led to greater stability in the soil aggregates (ranging from 86.33 to 95.37 % than fallow plus CTS (ranging from 74.62 to 85.94 %. Fallow plus CTS showed the highest number of aggregates smaller than 2 mm. The cover crops affected soil bulk density differently, and the millet treatment in the NTS had the lowest values. The cover crops without incorporation provided the greatest accumulation of TOC in the soil surface layers. The TOC concentration was positively correlated with the aggregate stability index in all layers and negatively correlated with bulk density in the 0.00-0.10 m layer.

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

Science.gov (United States)

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.

Effects of surface and bulk transverse fields on critical behaviour of ferromagnetic films

International Nuclear Information System (INIS)

Saber, A.; Lo Russo, S.; Mattei, G.

2002-02-01

The influence of surface and bulk transverse fields on the critical behaviour of a ferromagnetic Ising film is studied using the effective field theory based on a single-site cluster method. Surface exchange enhancement is considered and a critical value is obtained. The dependence of the critical uniform transverse field on film thickness, phase diagrams in the fields, critical surface transverse field versus the bulk one, and exchange coupling ratio are presented. (author)

First-principles study on the interaction of nitrogen atom with α–uranium: From surface adsorption to bulk diffusion

International Nuclear Information System (INIS)

Su, Qiulei; Deng, Huiqiu; Xiao, Shifang; Li, Xiaofan; Hu, Wangyu; Ao, Bingyun; Chen, Piheng

2014-01-01

Experimental studies of nitriding on uranium surfaces show that the modified layers provide considerable protection against air corrosion. The bimodal distribution of nitrogen is affected by both its implantation and diffusion, and the diffusion of nitrogen during implantation is also governed by vacancy trapping. In the present paper, nitrogen adsorption, absorption, diffusion, and vacancy trapping on the surface of and in the bulk of α–uranium are studied with a first-principles density functional theory approach and the climbing image nudged elastic band method. The calculated results indicate that, regardless of the nitrogen coverage, a nitrogen atom prefers to reside at the hollow1 site and octahedral (Oct) site on and below the surface, respectively. The lowest energy barriers for on-surface and penetration diffusion occur at a coverage of 1/2 monolayer. A nitrogen atom prefers to occupy the Oct site in bulk α–uranium. High energy barriers are observed during the diffusion between neighboring Oct sites. A vacancy can capture its nearby interstitial nitrogen atom with a low energy barrier, providing a significant attractive nitrogen-vacancy interaction at the trapping center site. This study provides a reference for understanding the nitriding process on uranium surfaces

Quantum and Classical Magnetoresistance in Ambipolar Topological Insulator Transistors with Gate-tunable Bulk and Surface Conduction

Science.gov (United States)

Tian, Jifa; Chang, Cuizu; Cao, Helin; He, Ke; Ma, Xucun; Xue, Qikun; Chen, Yong P.

2014-01-01

Weak antilocalization (WAL) and linear magnetoresistance (LMR) are two most commonly observed magnetoresistance (MR) phenomena in topological insulators (TIs) and often attributed to the Dirac topological surface states (TSS). However, ambiguities exist because these phenomena could also come from bulk states (often carrying significant conduction in many TIs) and are observable even in non-TI materials. Here, we demonstrate back-gated ambipolar TI field-effect transistors in (Bi0.04Sb0.96)2Te3 thin films grown by molecular beam epitaxy on SrTiO3(111), exhibiting a large carrier density tunability (by nearly 2 orders of magnitude) and a metal-insulator transition in the bulk (allowing switching off the bulk conduction). Tuning the Fermi level from bulk band to TSS strongly enhances both the WAL (increasing the number of quantum coherent channels from one to peak around two) and LMR (increasing its slope by up to 10 times). The SS-enhanced LMR is accompanied by a strongly nonlinear Hall effect, suggesting important roles of charge inhomogeneity (and a related classical LMR), although existing models of LMR cannot capture all aspects of our data. Our systematic gate and temperature dependent magnetotransport studies provide deeper insights into the nature of both MR phenomena and reveal differences between bulk and TSS transport in TI related materials. PMID:24810663

Calibration, field-testing, and error analysis of a gamma-ray probe for in situ measurement of dry bulk density

International Nuclear Information System (INIS)

Bertuzzi, P.; Bruckler, L.; Gabilly, Y.; Gaudu, J.C.

1987-01-01

This paper describes a new gamma-ray probe for measuring dry bulk density in the field. This equipment can be used with three different tube spacings (15, 20 and 30 cm). Calibration procedures and local error analyses are proposed for two cases: (1) for the case where the access tubes are parallel, calibration equations are given for three tube spacings. The linear correlation coefficient obtained in the laboratory is satisfactory (0.999), and a local error analysis shows that the standard deviation in the measured dry bulk density is small (+/- 0.02 g/cm 3 ); (2) when the access tubes are not parallel, a new calibration procedure is presented that accounts for and corrects measurement bias due to the deviating probe spacing. The standard deviation associated with the measured dry bulk density is greater (+/- 0.05 g/cm 3 ), but the measurements themselves are regarded as unbiased. After comparisons of core samplings and gamma-ray probe measurements, a field validation of the gamma-ray measurements is presented. Field validation was carried out on a variety of soils (clay, clay loam, loam, and silty clay loam), using gravimetric water contents that varied from 0.11 0.27 and dry bulk densities ranging from 1.30-1.80 g°cm -3 . Finally, an example of dry bulk density field variability is shown, and the spatial variability is analyzed in regard to the measurement errors

Optical excitation and electron relaxation dynamics at semiconductor surfaces: a combined approach of density functional and density matrix theory applied to the silicon (001) surface

Energy Technology Data Exchange (ETDEWEB)

Buecking, N

2007-11-05

In this work a new theoretical formalism is introduced in order to simulate the phononinduced relaxation of a non-equilibrium distribution to equilibrium at a semiconductor surface numerically. The non-equilibrium distribution is effected by an optical excitation. The approach in this thesis is to link two conventional, but approved methods to a new, more global description: while semiconductor surfaces can be investigated accurately by density-functional theory, the dynamical processes in semiconductor heterostructures are successfully described by density matrix theory. In this work, the parameters for density-matrix theory are determined from the results of density-functional calculations. This work is organized in two parts. In Part I, the general fundamentals of the theory are elaborated, covering the fundamentals of canonical quantizations as well as the theory of density-functional and density-matrix theory in 2{sup nd} order Born approximation. While the formalism of density functional theory for structure investigation has been established for a long time and many different codes exist, the requirements for density matrix formalism concerning the geometry and the number of implemented bands exceed the usual possibilities of the existing code in this field. A special attention is therefore attributed to the development of extensions to existing formulations of this theory, where geometrical and fundamental symmetries of the structure and the equations are used. In Part II, the newly developed formalism is applied to a silicon (001)surface in a 2 x 1 reconstruction. As first step, density-functional calculations using the LDA functional are completed, from which the Kohn-Sham-wave functions and eigenvalues are used to calculate interaction matrix elements for the electron-phonon-coupling an the optical excitation. These matrix elements are determined for the optical transitions from valence to conduction bands and for electron-phonon processes inside the

Unraveling surface and bulk trap states in lead halide perovskite solar cells using impedance spectroscopy

Science.gov (United States)

Han, Changfeng; Wang, Kai; Zhu, Xixiang; Yu, Haomiao; Sun, Xiaojuan; Yang, Qin; Hu, Bin

2018-03-01

Organic-inorganic hybrid perovskites (OIHPs) have been widely recognized as an excellent candidate for next-generation photovoltaic materials because of their highly efficient power conversion. Acquiring a complete understanding of trap states and dielectric properties in OIHP-based solar cells at the steady state is highly desirable in order to further explore and improve their optoelectronic functionalities and properties. We report CH3NH3PbI3-x Cl x -based planar solar cells with a power conversion efficiency (PCE) of 15.8%. The illumination intensity dependence of the current density-voltage (J-V) revealed the presence of trap-assisted recombination at low fluences. Non-destructive ac impedance spectroscopy (ac-IS) was applied to characterize the device at the steady state. The capacitance-voltage (C-V) spectra exhibited some distinct variations at a wide range of ac modulation frequencies with and without photo-excitations. Since the frequency-dependent chemical capacitance ({{C}μ }) is concerned with the surface and bulk related density of states (DOS) in CH3NH3PbI3-x Cl x , we verified this by fitting the corresponding DOS by a Gaussian distribution function. We ascertained that the electronic sub-gap trap states present in the solution processed CH3NH3PbI3-x Cl x and their distribution differs from the surface to the bulk. In fact, we demonstrated that both surfaces that were adjacent to the electron and hole transport layers featured analogous DOS. Despite this, photo- and bias-induced giant dielectric responses (i.e. both real and imaginary parts) were detected. A remarkable reduction of {{C}μ } at higher frequencies (i.e. more than 100 kHz) was ascribed to the effect of dielectric loss in CH3NH3PbI3-x Cl x .

First-principles investigation of the bulk and low-index surfaces of MoSe_2

International Nuclear Information System (INIS)

Mirhosseini, Hossein; Roma, Guido; Kiss, Janos; Felser, Claudia

2014-01-01

In the framework of density functional theory, the geometry, electronic structure, and magnetic properties of the bulk and low index surfaces of MoSe_2 have been studied. We have carried out calculations with various exchange-correlation functionals to select one which is able to describe the van der Waals (vdW) interactions and gives the best geometry compared with experiments. The inclusion of the vdW forces, however, does not guarantee a reliable description for the geometry of this compound: some vdW functionals strongly overestimate the interlayer distance, similar to GGA functionals. Our investigation shows that the recently introduced optB86bvdW functional yields the best results for MoSe_2. The vdW functionals have less impact on the electronic structure: the differences between the band structures of the experimental atomic structure, calculated by the vdW-DF and PBE functionals are marginal. We have tried the HSE06 hybrid functional as well but the results are not satisfactory: the overestimated interlayer distance leads to a significant overestimation of the band gap. The band structure of the bulk and monolayer is calculated and by the analysis of the bands character the indirect to direct band-gap transition is explained. The surface energy, work function and band structure of the surfaces are calculated as well. The role of the MoSe_2 buffer layer in Cu(In,Ga)Se_2 based solar cells is discussed by considering the work function values. (authors)

Bulk and surface laser damage of silica by picosecond and nanosecond pulses at 1064 nm

International Nuclear Information System (INIS)

Smith, Arlee V.; Do, Binh T.

2008-01-01

We measured bulk and surface dielectric breakdown thresholds of pure silica for 14 ps and 8 ns pulses of 1064 nm light. The thresholds are sharp and reproducible. For the 8 ns pulses the bulk threshold irradiance is 4.75 ± 0.25 kW/μm 2 . The threshold is approximately three times higher for 14 ps pulses. For 8 ns pulses the input surface damage threshold can be made equal to the bulk threshold by applying an alumina or silica surface polish

High current density in bulk YBa2Cu3O/sub x/ superconductor

International Nuclear Information System (INIS)

Salama, K.; Selvamanickam, V.; Gao, L.; Sun, K.

1989-01-01

A liquid phase processing method for the fabrication of bulk YBa 2 Cu 3 O/sub x/ superconductors with large current carrying capacity has been developed. Slow cooling through the peritectic transformation (1030--980 degree C) has been shown to control the microstructure of these superconductors. A cooling rate of 1 degree C/h in this temperature range has yielded a microstructure with long plate type, thick grains oriented over a wide area. Current density up to 18 500 A/cm 2 has been obtained by continuous direct current measurements and in excess of 62 000 A/cm 2 with pulse current of 10 ms duration and 75 000 A/cm 2 using 1 ms pulse. The strong magnetic field dependence observed in sintered bulk 1-2-3 superconductors is also minimized to a large extent where a current density in excess of 37 000 A/cm 2 is obtained in a field of 6000 G

Influence of soft ferromagnetic sections on the magnetic flux density profile of a large grain, bulk Y–Ba–Cu–O superconductor

International Nuclear Information System (INIS)

Philippe, M P; Wéra, L; Fagnard, J-F; Vanderheyden, B; Vanderbemden, P; Ainslie, M D; Dennis, A R; Shi, Y-H; Cardwell, D A

2015-01-01

Bulk, high temperature superconductors have significant potential for use as powerful permanent magnets in a variety of practical applications due to their ability to trap record magnetic fields. In this paper, soft ferromagnetic sections are combined with a bulk, large grain Y–Ba–Cu–O high temperature superconductor to form superconductor/ferromagnet hybrid structures. We study how the ferromagnetic sections influence the shape of the profile of the trapped magnetic induction at the surface of each structure and report the surface magnetic flux density measured by Hall probe mapping. These configurations have been modelled using a 2D axisymmetric finite element method based on the H-formulation and the results show excellent qualitative and quantitative agreement with the experimental measurements. The model has also been used to study the magnetic flux distribution and predict the behaviour for other constitutive laws and geometries. The results show that the ferromagnetic material acts as a magnetic shield, but the flux density and its gradient are enhanced on the face opposite to the ferromagnet. The thickness and saturation magnetization of the ferromagnetic material are important and a characteristic ferromagnet thickness d* is derived: below d*, saturation of the ferromagnet occurs, and above d*, a weak thickness-dependence is observed. The influence of the ferromagnet is observed even if its saturation magnetization is lower than the trapped flux density of the superconductor. Conversely, thin ferromagnetic discs can be driven to full saturation even though the outer magnetic field is much smaller than their saturation magnetization. (paper)

Method of altering the effective bulk density of solid material and the resulting product: hollow polymeric particles

International Nuclear Information System (INIS)

Kool, L.B.; Nolen, R.L.; Solomon, D.E.

1981-01-01

Hollow spherical particles are made by spraying a mixture of powdered solid material with a solution of a film-forming polymer in a solvent therefor into a heated chamber where the solvent evaporates. The powder is thereby captured in the wall of the hollow polymer particles formed. Such particles are used to form a suspension in a fluid material. The hollow particles are of such size and wall thickness, in relation to the bulk density of the powdered solid material, that the bulk density of each hollow spherical particle is commensurate with the density of the fluid material. The particles thereby remain in suspension over a substantial period of time with little or no agitation of the fluid. (author)

Surface Relaxation and Electronic States of Pt(111) Surface with Varying Slab Thickness

International Nuclear Information System (INIS)

Kaushal, Ashok K.; Mullick, Shanta; Ahluwalia, P. K.

2011-01-01

Surface relaxation and electronic DOS's of Pt(111) surface have been studied with varying slab thickness using ab-initio SIESTA method. We found the expansion in the top layer and contraction in the subsurface layers of Pt(111) surface. Our results match with the experimental results. Also observing electronic density of states we found that as we increase the thickness of slab, the PDOS of Pt(111) surface goes towards the bulk density of states and Fermi energy shifts towards the bulk fermi energy.

Surface processing for bulk niobium superconducting radio frequency cavities

Science.gov (United States)

Kelly, M. P.; Reid, T.

2017-04-01

The majority of niobium cavities for superconducting particle accelerators continue to be fabricated from thin-walled (2-4 mm) polycrystalline niobium sheet and, as a final step, require material removal from the radio frequency (RF) surface in order to achieve performance needed for use as practical accelerator devices. More recently bulk niobium in the form of, single- or large-grain slices cut from an ingot has become a viable alternative for some cavity types. In both cases the so-called damaged layer must be chemically etched or electrochemically polished away. The methods for doing this date back at least four decades, however, vigorous empirical studies on real cavities and more fundamental studies on niobium samples at laboratories worldwide have led to seemingly modest improvements that, when taken together, constitute a substantial advance in the reproducibility for surface processing techniques and overall cavity performance. This article reviews the development of niobium cavity surface processing, and summarizes results of recent studies. We place some emphasis on practical details for real cavity processing systems which are difficult to find in the literature but are, nonetheless, crucial for achieving the good and reproducible cavity performance. New approaches for bulk niobium surface treatment which aim to reduce cost or increase performance, including alternate chemical recipes, barrel polishing and ‘nitrogen doping’ of the RF surface, continue to be pursued and are closely linked to the requirements for surface processing.

Electrochemical Characteristics of Layered Transition Metal Oxide Cathode Materials for Lithium Ion Batteries: Surface, Bulk Behavior, and Thermal Properties.

Science.gov (United States)

Tian, Chixia; Lin, Feng; Doeff, Marca M

2018-01-16

Layered lithium transition metal oxides, in particular, NMCs (LiNi x Co y Mn z O 2 ) represent a family of prominent lithium ion battery cathode materials with the potential to increase energy densities and lifetime, reduce costs, and improve safety for electric vehicles and grid storage. Our work has focused on various strategies to improve performance and to understand the limitations to these strategies, which include altering compositions, utilizing cation substitutions, and charging to higher than usual potentials in cells. Understanding the effects of these strategies on surface and bulk behavior and correlating structure-performance relationships advance our understanding of NMC materials. This also provides information relevant to the efficacy of various approaches toward ensuring reliable operation of these materials in batteries intended for demanding traction and grid storage applications. In this Account, we start by comparing NMCs to the isostructural LiCoO 2 cathode, which is widely used in consumer batteries. Effects of changing the metal content (Ni, Mn, Co) upon structure and performance of NMCs are briefly discussed. Our early work on the effects of partial substitution of Al, Fe, and Ti for Co on the electrochemical and bulk structural properties is then covered. The original aim of this work was to reduce the Co content (and thus the raw materials cost) and to determine the effect of the substitutions on the electrochemical and bulk structural properties. More recently, we have turned to the application of synchrotron and advanced microscopy techniques to understand both bulk and surface characteristics of the NMCs. Via nanoscale-to-macroscale spectroscopy and atomically resolved imaging techniques, we were able to determine that the surfaces of NMC undergo heterogeneous reconstruction from a layered structure to rock salt under a variety of conditions. Interestingly, formation of rock salt also occurs under abuse conditions. The surface

The effect of bulk/surface defects ratio change on the photocatalysis of TiO_2 nanosheet film

International Nuclear Information System (INIS)

Wang, Fangfang; Ge, Wenna; Shen, Tong; Ye, Bangjiao; Fu, Zhengping; Lu, Yalin

2017-01-01

Highlights: • The defect behaviors of TiO_2 nanosheet array films were studied by positron annihilation spectroscopy. • Different bulk/surface defect ratios were realized by annealing at different temperature. • It was concluded that bulk defects are mainly Ti"3"+ vacancy defects. • The separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio. - Abstract: The photocatalysis behavior of TiO_2 nanosheet array films was studied, in which the ratio of bulk/surface defects were adjusted by annealing at different temperature. Combining positron annihilation spectroscopy, EPR and XPS, we concluded that the bulk defects belonged to Ti"3"+ related vacancy defects. The results show that the separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio of TiO_2 nanosheet films, and in turn enhancing the photocatalysis behaviors.

Optical bulk and surface waves with negative refraction

International Nuclear Information System (INIS)

Agranovich, V.M.; Shen, Y.R.; Baughman, R.H.; Zakhidov, A.A.

2004-01-01

In materials with negative refraction, the direction of wave propagation is opposite to the direction of the wave vector. Using an approach that characterizes the optical response of a medium totally by a generalized dielectric permittivity, ε-bar (ω,k-bar), we discuss the possibility of seeing negative refraction for optical waves in a number of nonmagnetic media. These include bulk waves in organic materials and in gyrotropic materials where additional exciton-polariton waves can have a negative group velocity. It is known that dispersion of surface waves can be engineered by tailoring a surface transition layer. We show how this effect can be used to obtain surface waves with negative refraction

Influence of current density on surface morphology and properties of pulse plated tin films from citrate electrolyte

Energy Technology Data Exchange (ETDEWEB)

Sharma, Ashutosh; Bhattacharya, Sumit; Das, Siddhartha; Das, Karabi, E-mail: karabi@metal.iitkgp.ernet.in

2014-01-30

Bulk polycrystalline tin films have been processed by pulse electrodeposition technique from a simple solution containing triammonium citrate and stannous chloride. The cathodic investigations have been carried out by galvanostatic methods. As deposited samples are characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). XRD analysis of the deposited films shows microcrystalline grains having β-Sn form. The surface morphology is very rough at lower current density, but becomes smooth at higher current density, and exhibits pyramid type morphology at all the current densities. The effect of current density on microhardness, melting behavior, and electrical resistivity are also reported here.

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

DEFF Research Database (Denmark)

Wellendorff, Jess; Lundgård, Keld Troen; Møgelhøj, Andreas

2012-01-01

A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding the overfit......A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding...... the energetics of intramolecular and intermolecular, bulk solid, and surface chemical bonding, and the developed optimization method explicitly handles making the compromise based on the directions in model space favored by different materials properties. The approach is applied to designing the Bayesian error...... sets validates the applicability of BEEF-vdW to studies in chemistry and condensed matter physics. Applications of the approximation and its Bayesian ensemble error estimate to two intricate surface science problems support this....

Pseudopotentials for calculating the bulk and surface properties of solids

International Nuclear Information System (INIS)

Cohen, M.L.

1983-01-01

A survey is presented describing research in condensed matter physics using pseudopotentials to calculate electronic, structural, and vibrational properties of solids. Semiconductors are emphasized, and both bulk and surface calculations are discussed. (author) [pt

Nonlinear AC susceptibility, surface and bulk shielding

Science.gov (United States)

van der Beek, C. J.; Indenbom, M. V.; D'Anna, G.; Benoit, W.

1996-02-01

We calculate the nonlinear AC response of a thin superconducting strip in perpendicular field, shielded by an edge current due to the geometrical barrier. A comparison with the results for infinite samples in parallel field, screened by a surface barrier, and with those for screening by a bulk current in the critical state, shows that the AC response due to a barrier has general features that are independent of geometry, and that are significantly different from those for screening by a bulk current in the critical state. By consequence, the nonlinear (global) AC susceptibility can be used to determine the origin of magnetic irreversibility. A comparison with experiments on a Bi 2Sr 2CaCu 2O 8+δ crystal shows that in this material, the low-frequency AC screening at high temperature is mainly due to the screening by an edge current, and that this is the unique source of the nonlinear magnetic response at temperatures above 40 K.

On the interrelation between bulk and thin-film Fermi surfaces

KAUST Repository

Schwingenschlögl, Udo

2010-12-01

A general scheme for inferring the Fermi surface of a finite slab from ab initio electronic-structure calculations for the parent bulk system is introduced. The simple cubic ReO 3 oxide is studied as an example system. We show that our scheme provides an accurate approximation of the Fermi surface even for very thin slabs. © 2010 Europhysics Letters Association.

Surface Casimir densities and induced cosmological constant in higher dimensional braneworlds

International Nuclear Information System (INIS)

Saharian, Aram A.

2006-01-01

We investigate the vacuum expectation value of the surface energy-momentum tensor for a massive scalar field with general curvature coupling parameter obeying the Robin boundary conditions on two codimension one parallel branes in a (D+1)-dimensional background spacetime AdS D 1 +1 xΣ with a warped internal space Σ. These vacuum densities correspond to a gravitational source of the cosmological constant type for both subspaces of the branes. Using the generalized zeta function technique in combination with contour integral representations, the surface energies on the branes are presented in the form of the sum of single-brane and second-brane-induced parts. For the geometry of a single brane both regions, on the left and on the right of the brane, are considered. At the physical point the corresponding zeta functions contain pole and finite contributions. For an infinitely thin brane taking these regions together, in odd spatial dimensions the pole parts cancel and the total zeta function is finite. The renormalization procedure for the surface energies and the structure of the corresponding counterterms are discussed. The parts in the surface densities generated by the presence of the second brane are finite for all nonzero values of the interbrane separation and are investigated in various asymptotic regions of the parameters. In particular, it is shown that for large distances between the branes the induced surface densities give rise to an exponentially suppressed cosmological constant on the brane. The total energy of the vacuum including the bulk and boundary contributions is evaluated by the zeta function technique and the energy balance between separate parts is discussed

Effects of Nb and Si on densities of valence electrons in bulk and defects of Fe3Al alloys

Institute of Scientific and Technical Information of China (English)

邓文; 钟夏平; 黄宇阳; 熊良钺; 王淑荷; 郭建亭; 龙期威

1999-01-01

Positron lifetime measurements have been performed in binary Fe3Al and Fe3Al doping with Nb or Si alloys. The densities of valence electrons of the bulk and microdefects in all tested samples have been calculated by using the positron lifetime parameters. Density of valence electron is low in the bulk of Fe3Al alloy. It indicates that, the 3d electrons in a Fe atom have strong-localized properties and tend to form covalent bonds with Al atoms, and the bonding nature in Fe3Al is a mixture of metallic and covalent bonds. The density of valence electron is very low in the defects of Fe3Al grain boundary, which makes the bonding cohesion in grain boundary quite weak. The addition of Si to Fe3Al gives rise to the decrease of the densities of valence electrons in the bulk and the grain boundary thus the metallic bonding cohesion. This makes the alloy more brittle. The addition of Nb to Fe3Al results in the decrease of the ordering energy of the alloy and increases the density of valence electron and th

Using machine learning to predict soil bulk density on the basis of visual parameters

NARCIS (Netherlands)

Bondi, Giulia; Creamer, Rachel; Ferrari, Alessio; Fenton, Owen; Wall, David

2018-01-01

Soil structure is a key factor that supports all soil functions. Extracting intact soil cores and horizon specific samples for determination of soil physical parameters (e.g. bulk density (Bd) or particle size distribution) is a common practice for assessing indicators of soil structure. However,

Inelastic vibrational bulk and surface losses of swift electrons in ionic nanostructures

Science.gov (United States)

Hohenester, Ulrich; Trügler, Andreas; Batson, Philip E.; Lagos, Maureen J.

2018-04-01

In a recent paper [Lagos et al., Nature (London) 543, 533 (2017), 10.1038/nature21699] we have used electron energy loss spectroscopy with sub-10 meV energy and atomic spatial resolution to map optical and acoustic, bulk and surface vibrational modes in magnesium oxide nanocubes. We found that a local dielectric description works well for the simulation of aloof geometries, similar to related work for surface plasmons and surface plasmon polaritons, while for intersecting geometries such a description fails to reproduce the rich spectral features associated with excitation of bulk acoustic and optical phonons. To account for scatterings with a finite momentum exchange, in this paper we investigate molecular and lattice dynamics simulations of bulk losses in magnesium-oxide nanocubes using a rigid-ion description and investigate the loss spectra for intersecting electron beams. From our analysis we can evaluate the capability of electron energy loss spectroscopy for the investigation of phonon modes at the nanoscale, and we discuss shortcomings of our simplified approach as well as directions for future investigations.

Ferromagnetic transitions of a spin-one Ising film in a surface and bulk transverse fields

International Nuclear Information System (INIS)

Saber, A.; Lo Russo, S.; Mattei, G.; Mattoni, A.

2002-01-01

Using the effective field theory method, we have calculated the Curie temperature of a spin-one Ising ferromagnetic film in a surface and bulk transverse fields. Numerical calculations give phase diagrams under various parameters. Surface exchange enhancement is considered. The dependence of the critical transverse field on film thickness, and phase diagrams in the fields, critical surface transverse field versus the bulk one are presented

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

Science.gov (United States)

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

2017-01-01

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

Photocatalysis with chromium-doped TiO2: Bulk and surface doping

KAUST Repository

Ould-Chikh, Samy

2014-04-15

The photocatalytic properties of TiO2 modified by chromium are usually found to depend strongly on the preparation method. To clarify this problem, two series of chromium-doped titania with a chromium content of up to 1.56 wt % have been prepared under hydrothermal conditions: the first series (Cr:TiO2) is intended to dope the bulk of TiO2, whereas the second series (Cr/TiO2) is intended to load the surface of TiO2 with Cr. The catalytic properties have been compared in the photocatalytic oxidation of formic acid. Characterization data provides evidence that in the Cr/TiO2 catalysts chromium is located on the surface of TiO2 as amorphous CrOOH clusters. In contrast, in the Cr:TiO 2 series, chromium is mostly dissolved in the titania lattice, although a minor part is still present on the surface. Photocatalytic tests show that both series of chromium-doped titania demonstrate visible-light-driven photo-oxidation activity. Surface-doped Cr/TiO2 solids appear to be more efficient photocatalysts than the bulk-doped Cr:TiO2 counterparts. It\\'s classified! The photocatalytic properties of TiO2 modified by chromium depend strongly on the preparation method. To clarify this problem, two types of modified titania are discussed: one with CrIII doped in the bulk and one with CrOOH clusters on the TiO2 surface (see picture). Both series show visible-light-driven photo-oxidation activity. However, surface modification appears to be a more efficient strategy. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ab initio-based bulk and surface thermodynamics of InGaN alloys. Investigating the effects of strain and surface polarity

Energy Technology Data Exchange (ETDEWEB)

Duff, Andrew I.; Lymperakis, Liverios; Neugebauer, Joerg [Max-Planck-Institut fuer Eisenforschung, Duesseldorf (Germany)

2015-05-15

The growth of high In content InGaN with sufficiently high crystal quality is challenging due to the differences in the GaN and InN thermodynamics. The surprisingly different thermodynamics is due to a complex competition between strain and chemistry and mediated by the different indium and gallium atomic radii as well as their different bonding enthalpies with nitrogen. In the present work, we investigate bulk and surface thermodynamics of molecular beam epitaxial (MBE) growth of In{sub x}Ga{sub 1-x}N for the technologically relevant (0001) and (000 anti 1) growth planes by means of density functional theory calculations. Our calculations confirm that coherent growth fully suppresses phase separation through spinodal decomposition. However, the biaxial strain is found to have a marginal effect on the critical temperatures for In{sub x}Ga{sub 1-x}N decomposition. Furthermore, the thermal stability of excess indium is found to be remarkably higher on N-polar surfaces than on the Ga-polar surfaces. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Surface and Bulk Nanostructuring of Insulators by Ultrashort Laser Pulses

Science.gov (United States)

2017-04-05

non perturbative effects leading to HHG. 15. SUBJECT TERMS Nanostructuring of bulk insulators, sub-picosecond electronic and structural events , photo...time, the charge density oscillations follow the time periodicity of the incident radiation. These transient charge oscillations are exclusively due...As in section II photoexcitation and the dielectric response of laser-irradiated diamond are treated in independent particle approximation based on the

Dynamic effects of soil bulk density on denitrification and mineralisation by 15N labelled lettuce residue and paper wastes

International Nuclear Information System (INIS)

Hua Luo; Cheng Qing; Vinten, A.J.A.

1997-10-01

Two laboratory incubation experiments aimed to study the denitrification and mineralisation influenced by different additives ( 15 N labelled lettuce residue, paper wastes and mixture of both) and soil bulk densities were carried out by means of acetylene inhibition at the constant 15 degree C for 107 and 90 days, respectively. The results showed that the changes of N 2 O, CO 2 emission rates, inorganic nitrogen (NO 3 - and NH 4 + ), total N and 15 N abundance in the soils which were affected by adding lettuce residue, paper wastes and mixture of both were investigated. Soil denitrification rate increased after lettuce residue was added into soil for 8 days. The maximum rate of N 2 O emission was 15 times higher than that in soil without any additive. However, paper wastes did not increase N 2 O emission in the first 8 days compared with other treatments, mixed residue and paper wastes could promote soil microbial activity, but N 2 O emission was lower than that in the soil with lettuce residue added and higher than that with paper wastes, indicating that mixture of residue and paper wastes was benefit to soil nitrogen immobilisation. CO 2 emission in all the treatments were declined to the same level on the 107 th day. In the treatment added mixed residues and paper wastes, the released CO 2 quantities were higher than those in other treatments every day. Effect of different bulk density on N 2 O and CO 2 emission were response to the change of bulk density, it seems that N 2 O and CO 2 emission increased with bulk density. High bulk density could affect decomposition of paper wastes and NO 3 - , NH 4 + concentration. (30 ref., 10 tabs.)

Laser-induced damage of materials in bulk, thin-film, and liquid forms

International Nuclear Information System (INIS)

Natoli, Jean-Yves; Gallais, Laurent; Akhouayri, Hassan; Amra, Claude

2002-01-01

Accurate threshold curves of laser-induced damage (7-ns single shot at 1.064 μm) are measured in bulk and at the surfaces of optical components such as substrates, thin films, multilayers, and liquids. The shapes and the slopes of the curves are related to the spot size and to the densities of the nanodefects that are responsible for damage. First, these densities are reported for bulk substrates. In surfaces and films the recorded extrinsic and intrinsic threshold curves permit the discrimination of the effects of microdefects and nanodefects. In all cases the density of nanocenters is extracted by means of a phenomenological approach. Then we test liquids and mixtures of liquids with controlled defect densities. The results emphasize the agreement between measurement and prediction and demonstrate the validity of the presence of different kinds of nanocenter as the precursors of laser damage

In situ evaluation of density, viscosity, and thickness of adsorbed soft layers by combined surface acoustic wave and surface plasmon resonance.

Science.gov (United States)

Francis, Laurent A; Friedt, Jean-Michel; Zhou, Cheng; Bertrand, Patrick

2006-06-15

We show the theoretical and experimental combination of acoustic and optical methods for the in situ quantitative evaluation of the density, the viscosity, and the thickness of soft layers adsorbed on chemically tailored metal surfaces. For the highest sensitivity and an operation in liquids, a Love mode surface acoustic wave (SAW) sensor with a hydrophobized gold-coated sensing area is the acoustic method, while surface plasmon resonance (SPR) on the same gold surface as the optical method is monitored simultaneously in a single setup for the real-time and label-free measurement of the parameters of adsorbed soft layers, which means for layers with a predominant viscous behavior. A general mathematical modeling in equivalent viscoelastic transmission lines is presented to determine the correlation between experimental SAW signal shifts and the waveguide structure including the presence of the adsorbed layer and the supporting liquid from which it segregates. A methodology is presented to identify from SAW and SPR simulations the parameters representatives of the soft layer. During the absorption of a soft layer, thickness or viscosity changes are observed in the experimental ratio of the SAW signal attenuation to the SAW signal phase and are correlated with the theoretical model. As application example, the simulation method is applied to study the thermal behavior of physisorbed PNIPAAm, a polymer whose conformation is sensitive to temperature, under a cycling variation of temperature between 20 and 40 degrees C. Under the assumption of the bulk density and the bulk refractive index of PNIPAAm, thickness and viscosity of the film are obtained from simulations; the viscosity is correlated to the solvent content of the physisorbed layer.

Surface and bulk 4f-photoemission spectra of CeIn3 and CeSn3

International Nuclear Information System (INIS)

Kim, H.; Tjernberg, O.; Chiaia, G.; Kumigashira, H.; Takahashi, T.; Duo, L.; Sakai, O.; Kasaya, M.; Lindau, I.

1997-01-01

Resonant photoemission spectroscopy was performed on CeIn 3 and CeSn 3 at the 4d-4f and 3d-4f core thresholds. Using the different surface sensitivity between the two photon energies, surface and bulk 4f-photoemission spectra were derived for both compounds. With the noncrossing approximation of the Anderson impurity model, the 4d-4f resonant spectra together with the surface and bulk spectra were self-consistently analyzed to obtain the microscopic parameters such as the 4f-electron energy and the hybridization strength with conduction electrons. The result shows a substantial difference in these parameters between the surface and the bulk, indicating that it is important to take into account the surface effect in analyzing photoemission spectra of Ce compounds. It is also found that the 4f surface core-level shift is different between CeIn 3 and CeSn 3 . copyright 1997 The American Physical Society

Porosity, Bulk Density, and Volume Reduction During Drying: Review of Measurement Methods and Coefficient Determinations

NARCIS (Netherlands)

Qiu, J.; Khalloufi, S.; Martynenko, A.; Dalen, van G.; Schutyser, M.A.I.; Almeida-Rivera, C.

2015-01-01

Several experimental methods for measuring porosity, bulk density and volume reduction during drying of foodstuff are available. These methods include among others geometric dimension, volume displacement, mercury porosimeter, micro-CT, and NMR. However, data on their accuracy, sensitivity, and

Linear magnetoresistance and surface to bulk coupling in topological insulator thin films.

Science.gov (United States)

Singh, Sourabh; Gopal, R K; Sarkar, Jit; Pandey, Atul; Patel, Bhavesh G; Mitra, Chiranjib

2017-12-20

We explore the temperature dependent magnetoresistance of bulk insulating topological insulator thin films. Thin films of Bi 2 Se 2 Te and BiSbTeSe 1.6 were grown using the pulsed laser deposition technique and subjected to transport measurements. Magnetotransport measurements indicate a non-saturating linear magnetoresistance (LMR) behavior at high magnetic field values. We present a careful analysis to explain the origin of LMR taking into consideration all the existing models of LMR. Here we consider that the bulk insulating states and the metallic surface states constitute two parallel conduction channels. Invoking this, we were able to explain linear magnetoresistance behavior as a competition between these parallel channels. We observe that the cross-over field, where LMR sets in, decreases with increasing temperature. We propose that this cross-over field can be used phenomenologically to estimate the strength of surface to bulk coupling.

Bulk water freezing dynamics on superhydrophobic surfaces

Science.gov (United States)

Chavan, S.; Carpenter, J.; Nallapaneni, M.; Chen, J. Y.; Miljkovic, N.

2017-01-01

In this study, we elucidate the mechanisms governing the heat-transfer mediated, non-thermodynamic limited, freezing delay on non-wetting surfaces for a variety of characteristic length scales, Lc (volume/surface area, 3 mm commercial superhydrophobic spray coatings, showing a monotonic increase in freezing time with coating thickness. The added thermal resistance of thicker coatings was much larger than that of the nanoscale superhydrophobic features, which reduced the droplet heat transfer and increased the total freezing time. Transient finite element method heat transfer simulations of the water slab freezing process were performed to calculate the overall heat transfer coefficient at the substrate-water/ice interface during freezing, and shown to be in the range of 1-2.5 kW/m2K for these experiments. The results shown here suggest that in order to exploit the heat-transfer mediated freezing delay, thicker superhydrophobic coatings must be deposited on the surface, where the coating resistance is comparable to the bulk water/ice conduction resistance.

The determination of the bulk density of irradiated samples using a mercury pyknometer

International Nuclear Information System (INIS)

Keep, R.H.; Perks, J.M.

1980-05-01

A method for determining the bulk density of fragmented UO 2 specimens in the mass range 1 to 10 g by mercury pyknometry has been developed. The factor limiting the accuracy of the technique in this application is the consistency with which the pyknometer can be filled with mercury; this is dependent on the vacuum obtained in the pyknometer prior to filling. It has been found that this method can be used to determine the density of fragments of UO 2 in the mass range specified to an accuracy of better than +- 0.2% (1σ). (author)

A study to assess the role of bulk density of process load in "6"0Co based food irradiation facility

International Nuclear Information System (INIS)

Sanyal, Bhaskar; Prakasan, V.; Chawla, S.P.; Ghosh, Sunil K.

2017-01-01

Radiation processing of foods and allied products is one of the important techniques to extend shelf-life. The success of this technology depends on the adequate dose delivery to the food products. The absorbed doses are functions of several irradiation parameters based on the design of the facility. The variable bulk density of the process load is of paramount importance in determining the dose uniformity. Bulk densities of the product in the range of 0.01 to 0.75 gm/cc were prepared and its influence on absorbed dose was studied in a "6"0Co based food package irradiator. The results established that the bulk densities of the process loads would considerably change the absorbed doses and dose uniformity. The data would be useful to the facility operators to take adequate decision in dosimetry procedures. (author)

NEW CONCEPTS AND TEST METHODS OF CURVE PROFILE AREA DENSITY IN SURFACE: ESTIMATION OF AREAL DENSITY ON CURVED SPATIAL SURFACE

OpenAIRE

Hong Shen

2011-01-01

The concepts of curve profile, curve intercept, curve intercept density, curve profile area density, intersection density in containing intersection (or intersection density relied on intersection reference), curve profile intersection density in surface (or curve intercept intersection density relied on intersection of containing curve), and curve profile area density in surface (AS) were defined. AS expressed the amount of curve profile area of Y phase in the unit containing surface area, S...

Surface Casimir densities and induced cosmological constant on parallel branes in AdS spacetime

International Nuclear Information System (INIS)

Saharian, Aram A.

2004-01-01

Vacuum expectation value of the surface energy-momentum tensor is evaluated for a massive scalar field with general curvature coupling parameter subject to Robin boundary conditions on two parallel branes located on (D+1)-dimensional anti-de Sitter bulk. The general case of different Robin coefficients on separate branes is considered. As a regularization procedure the generalized zeta function technique is used, in combination with contour integral representations. The surface energies on the branes are presented in the form of the sums of single brane and second brane-induced parts. For the geometry of a single brane both regions, on the left (L-region) and on the right (R-region), of the brane are considered. The surface densities for separate L- and R-regions contain pole and finite contributions. For an infinitely thin brane taking these regions together, in odd spatial dimensions the pole parts cancel and the total surface energy is finite. The parts in the surface densities generated by the presence of the second brane are finite for all nonzero values of the interbrane separation. It is shown that for large distances between the branes the induced surface densities give rise to an exponentially suppressed cosmological constant on the brane. In the Randall-Sundrum braneworld model, for the interbrane distances solving the hierarchy problem between the gravitational and electroweak mass scales, the cosmological constant generated on the visible brane is of the right order of magnitude with the value suggested by the cosmological observations

Method of measuring surface density

International Nuclear Information System (INIS)

Gregor, J.

1982-01-01

A method is described of measuring surface density or thickness, preferably of coating layers, using radiation emitted by a suitable radionuclide, e.g., 241 Am. The radiation impinges on the measured material, e.g., a copper foil and in dependence on its surface density or thickness part of the flux of impinging radiation is reflected and part penetrates through the material. The radiation which has penetrated through the material excites in a replaceable adjustable backing characteristic radiation of an energy close to that of the impinging radiation (within +-30 keV). Part of the flux of the characteristic radiation spreads back to the detector, penetrates through the material in which in dependence on surface density or thickness of the coating layer it is partly absorbed. The flux of the penetrated characteristic radiation impinging on the face of the detector is a function of surface density or thickness. Only that part of the energy is evaluated of the energy spectrum which corresponds to the energy of characteristic radiation. (B.S.)

Electronic and optical properties of titanium nitride bulk and surfaces from first principles calculations

Science.gov (United States)

Mehmood, Faisal; Pachter, Ruth; Murphy, Neil R.; Johnson, Walter E.

2015-11-01

Prediction of the frequency-dependent dielectric function of thin films poses computational challenges, and at the same time experimental characterization by spectroscopic ellipsometry remains difficult to interpret because of changes in stoichiometry and surface morphology, temperature, thickness of the film, or substrate. In this work, we report calculations for titanium nitride (TiN), a promising material for plasmonic applications because of less loss and other practical advantages compared to noble metals. We investigated structural, electronic, and optical properties of stoichiometric bulk TiN, as well as of the TiN(100), TiN(110), and TiN(111) outermost surfaces. Density functional theory (DFT) and many-body GW methods (Green's (G) function-based approximation with screened Coulomb interaction (W)) were used, ranging from G0W0, GW0 to partially self-consistent sc-GW0, as well as the GW-BSE (Bethe-Salpeter equation) and time-dependent DFT (TDDFT) methods for prediction of the optical properties. Structural parameters and the band structure for bulk TiN were shown to be consistent with previous work. Calculated dielectric functions, plasma frequencies, reflectivity, and the electron energy loss spectrum demonstrated consistency with experiment at the GW0-BSE level. Deviations from experimental data are expected due to varying experimental conditions. Comparison of our results to spectroscopic ellipsometry data for realistic nanostructures has shown that although TDDFT may provide a computationally feasible level of theory in evaluation of the dielectric function, application is subject to validation with GW-BSE calculations.

Modulation of electromagnetic local density of states by coupling of surface phonon-polariton

Science.gov (United States)

Li, Yao; Zhang, Chao-Jie; Wang, Tong-Biao; Liu, Jiang-Tao; Yu, Tian-Bao; Liao, Qing-Hua; Liu, Nian-Hua

2017-02-01

We studied the electromagnetic local density of state (EM-LDOS) near the surface of a one-dimensional multilayer structure (1DMS) alternately stacked by SiC and Si. EM-LDOS of a semi-infinite bulk appears two intrinsic peaks due to the resonance of surface phonon-polariton (SPhP) in SiC. In contrast with that of SiC bulk, SPhP can exist at the interface of SiC and Si for the 1DMS. The SPhPs from different interfaces can couple together, which can lead to a significant modulation of EM-LDOS. When the component widths of 1DMS are large, the spectrum of EM-LDOS exhibits oscillation behavior in the frequency regime larger than the resonance frequency of SPhP. While the component widths are small, due to the strong coupling of SPhPs, another peak appears in the EM-LDOS spectrum besides the two intrinsic ones. And the position of the new peak move toward high frequency when the width ratio of SiC and Si increases. The influences of distance from the surfaces and period of 1DMS on EM-LDOS have also been studied in detail. The results are helpful in studying the near-field radiative heat transfer and spontaneous emission.

On the interrelation between bulk and thin-film Fermi surfaces

KAUST Repository

Schwingenschlö gl, Udo; Fré sard, Raymond

2010-01-01

A general scheme for inferring the Fermi surface of a finite slab from ab initio electronic-structure calculations for the parent bulk system is introduced. The simple cubic ReO 3 oxide is studied as an example system. We show that our scheme

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

Science.gov (United States)

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

2018-03-11

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

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

Directory of Open Access Journals (Sweden)

Weifeng Chen

2018-03-01

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

Granularity effect on microwave surface resistance in high-Tc YBa2Cu3O7-x bulk and thin film superconductor

International Nuclear Information System (INIS)

Swarup, Ram; Gupta, A.K.

2001-01-01

We report the effect of variation of Josephson coupling strength in YBa 2 Cu 3 O 7-x (YBCO) superconductor due to grain enlargement, grain orientation and magnetic field on microwave surface resistance (R s ). The coupling strength in the bulk samples has been increased by increasing the sample density from 4.4 to 5.3 g/cm 3 , whereas in thin films, the same could be increased by increasing the c-axis orientation of the grains. The value of R s (10 GHz, 65 K) in bulk samples has been found to decrease from 52 to 4 mΩ with the increase of the coupling strength from 0.06 to 0.43 and in thin films from 930 to 600 μΩ with increase of the coupling strength from 0.92 to 2.43. The effect of grain decoupling on microwave surface resistance was studied under dc and microwave magnetic fields. The surface resistance increases gradually with the application of dc and microwave magnetic fields due to grain decoupling and finally gets saturated beyond a certain critical field. (author)

The effect of bulk/surface defects ratio change on the photocatalysis of TiO{sub 2} nanosheet film

Energy Technology Data Exchange (ETDEWEB)

Wang, Fangfang [CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Ge, Wenna [State Key Laboratory of Particle Detection and Electronics, University of Science and Technology of China, Hefei 230026 (China); Department of Modern Physics, University of Science and Technology of China, Hefei 230026 (China); Shen, Tong [CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Ye, Bangjiao [State Key Laboratory of Particle Detection and Electronics, University of Science and Technology of China, Hefei 230026 (China); Department of Modern Physics, University of Science and Technology of China, Hefei 230026 (China); Fu, Zhengping, E-mail: fuzp@ustc.edu.cn [CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Lu, Yalin, E-mail: yllu@ustc.edu.cn [CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Synergetic Innovation Center of Quantum Information & Stop Quantum Physics, University of Science and Technology of China, Hefei 230026 (China); National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230026, Anhui (China)

2017-07-15

Highlights: • The defect behaviors of TiO{sub 2} nanosheet array films were studied by positron annihilation spectroscopy. • Different bulk/surface defect ratios were realized by annealing at different temperature. • It was concluded that bulk defects are mainly Ti{sup 3+} vacancy defects. • The separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio. - Abstract: The photocatalysis behavior of TiO{sub 2} nanosheet array films was studied, in which the ratio of bulk/surface defects were adjusted by annealing at different temperature. Combining positron annihilation spectroscopy, EPR and XPS, we concluded that the bulk defects belonged to Ti{sup 3+} related vacancy defects. The results show that the separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio of TiO{sub 2} nanosheet films, and in turn enhancing the photocatalysis behaviors.

Is the surface oxygen exchange rate linked to bulk ion diffusivity in mixed conducting Ruddlesden-Popper phases?

Science.gov (United States)

Tomkiewicz, Alex C; Tamimi, Mazin A; Huq, Ashfia; McIntosh, Steven

2015-01-01

The possible link between oxygen surface exchange rate and bulk oxygen anion diffusivity in mixed ionic and electronic conducting oxides is a topic of great interest and debate. While a large body of experimental evidence and theoretical analyses support a link, observed differences between bulk and surface composition of these materials are hard to reconcile with this observation. This is further compounded by potential problems with simultaneous measurement of both parameters. Here we utilize separate techniques, in situ neutron diffraction and pulsed isotopic surface exchange, to examine bulk ion mobility and surface oxygen exchange rates of three Ruddlesden-Popper phases, general form A(n-1)A(2)'B(n)O(3n+1), A(n-1)A(2)'B(n)X(3n+1); LaSrCo(0.5)Fe(0.5)O(4-δ) (n = 1), La(0.3)Sr(2.7)CoFeO(7-δ) (n = 2) and LaSr3Co(1.5)Fe(1.5)O(10-δ) (n = 3). These measurements are complemented by surface composition determination via high sensitivity-low energy ion scattering. We observe a correlation between bulk ion mobility and surface exchange rate between materials. The surface exchange rates vary by more than one order of magnitude with high anion mobility in the bulk of an oxygen vacancy-rich n = 2 Ruddlesden-Popper material correlating with rapid oxygen exchange. This is in contrast with the similar surface exchange rates which we may expect due to similar surface compositions across all three samples. We conclude that experimental limitations lead to inherent convolution of surface and bulk rates, and that surface exchange steps are not likely to be rate limiting in oxygen incorporation.

Density and surface tension of ionic liquids.

Science.gov (United States)

Kolbeck, C; Lehmann, J; Lovelock, K R J; Cremer, T; Paape, N; Wasserscheid, P; Fröba, A P; Maier, F; Steinrück, H-P

2010-12-30

We measured the density and surface tension of 9 bis[(trifluoromethyl)sulfonyl]imide ([Tf(2)N](-))-based and 12 1-methyl-3-octylimidazolium ([C(8)C(1)Im](+))-based ionic liquids (ILs) with the vibrating tube and the pendant drop method, respectively. This comprehensive set of ILs was chosen to probe the influence of the cations and anions on density and surface tension. When the alkyl chain length in the [C(n)C(1)Im][Tf(2)N] series (n = 1, 2, 4, 6, 8, 10, 12) is increased, a decrease in density is observed. The surface tension initially also decreases but reaches a plateau for alkyl chain lengths greater than n = 8. Functionalizing the alkyl chains with ethylene glycol groups results in a higher density as well as a higher surface tension. For the dependence of density and surface tension on the chemical nature of the anion, relations are only found for subgroups of the studied ILs. Density and surface tension values are discussed with respect to intermolecular interactions and surface composition as determined by angle-resolved X-ray photoelectron spectroscopy (ARXPS). The absence of nonvolatile surface-active contaminants was proven by ARXPS.

A local leaky-box model for the local stellar surface density-gas surface density-gas phase metallicity relation

Science.gov (United States)

Zhu, Guangtun Ben; Barrera-Ballesteros, Jorge K.; Heckman, Timothy M.; Zakamska, Nadia L.; Sánchez, Sebastian F.; Yan, Renbin; Brinkmann, Jonathan

2017-07-01

We revisit the relation between the stellar surface density, the gas surface density and the gas-phase metallicity of typical disc galaxies in the local Universe with the SDSS-IV/MaNGA survey, using the star formation rate surface density as an indicator for the gas surface density. We show that these three local parameters form a tight relationship, confirming previous works (e.g. by the PINGS and CALIFA surveys), but with a larger sample. We present a new local leaky-box model, assuming star-formation history and chemical evolution is localized except for outflowing materials. We derive closed-form solutions for the evolution of stellar surface density, gas surface density and gas-phase metallicity, and show that these parameters form a tight relation independent of initial gas density and time. We show that, with canonical values of model parameters, this predicted relation match the observed one well. In addition, we briefly describe a pathway to improving the current semi-analytic models of galaxy formation by incorporating the local leaky-box model in the cosmological context, which can potentially explain simultaneously multiple properties of Milky Way-type disc galaxies, such as the size growth and the global stellar mass-gas metallicity relation.

Bulk ordering and surface segregation in Ni50Pt50

DEFF Research Database (Denmark)

Pourovskii, L.P.; Ruban, Andrei; Abrikosov, I.A.

2001-01-01

in the bulk compare well with experimental data. The surface-alloy compositions for the (111) and (110) facets above the ordering transition temperature are also found to be in a good agreement with experiments. It is demonstrated that the segregation profile at the (110) surface of NiPt is mainly caused...... by the unusually strong segregation of Pt into the second layer and the interlayer ordering due to large chemical nearest-neighbor interactions....

A comparative study on optical and magnetic resonance properties of near-surface NV centers in nano and bulk diamond

International Nuclear Information System (INIS)

Frederico Brandao

2014-01-01

Using shallow nitrogen-vacancy (NV) centers in diamond for applications in magnetometry requires the generation of stable defects in the NV charge state in sufficiently high density and high quality spin properties. Recent studies reported about NV defects close to the surface created by ion implantation or during chemical vapor deposition growth technique and in nanodiamonds point to a scenario where defects are stabilized in the neutral charge state and that the minority of negatively charged state defects have poor spin properties, i.e.g shorter coherence times compared to NV defects deeply localized in bulk diamond. This undesirable behavior appears to result from the interaction with rapidly fluctuating electric fields created by moving charges at the surface and with interface effects associated with the termination of the diamond surface. Here we report studies of photoluminescence and magnetic resonance properties of shallow NV ensembles created by low energy nitrogen ion implantation in electronic grade diamond substrate and nanodiamonds with low nitrogen concentration. We verified the shallow NV center spin properties through pulsed optically detected magnetic resonance (ODMR) protocols and found longitudinal time constant (T1) of a few milliseconds and transversal relaxation time constant (T2) of a few microseconds for shallow defects implanted in bulk diamond. For nanodiamonds, the T2 coherence time is similar to the case in bulk sample but on the other hand the T1 coherence time is ten times shorter than in bulk. Additionally was found the T2* is around one microsecond for shallow NV defects in bulk samples meanwhile in nanodiamonds it is around twenty nanoseconds. It worth to mention that all the measurements were performed in NV ensembles which show just two ODMR resonance lines with applied magnetic field as if they were magnetically equivalent. In that sense we are trying to apply chirped pulses and Ramsey pulse sequence to check this assumption

Evidence of a Transition Layer between the Free Surface and the Bulk

KAUST Repository

Ogieglo, Wojciech; Tempelman, Kristianne; Napolitano, Simone; Benes, Nieck E.

2018-01-01

The free surface, a very thin layer at the interface between polymer and air, is considered the main source of the perturbations in the properties of ultrathin polymer films, i.e., nanoconfinement effects. The structural relaxation of such a layer is decoupled from the molecular dynamics of the bulk. The free surface is, in fact, able to stay liquid even below the temperature where the polymer resides in the glassy state. Importantly, this surface layer is expected to have a very sharp interface with the underlying bulk. Here, by analyzing the penetration of n-hexane into polystyrene films, we report on the existence of a transition region, not observed by previous investigations, extending for 12 nm below the free surface. The presence of such a layer permits reconciling the behavior of interfacial layers with current models and has profound implications on the performance of ultrathin membranes. We show that the expected increase in the flux of the permeating species is actually overruled by nanoconfinement.

Evidence of a Transition Layer between the Free Surface and the Bulk

KAUST Repository

Ogieglo, Wojciech

2018-02-21

The free surface, a very thin layer at the interface between polymer and air, is considered the main source of the perturbations in the properties of ultrathin polymer films, i.e., nanoconfinement effects. The structural relaxation of such a layer is decoupled from the molecular dynamics of the bulk. The free surface is, in fact, able to stay liquid even below the temperature where the polymer resides in the glassy state. Importantly, this surface layer is expected to have a very sharp interface with the underlying bulk. Here, by analyzing the penetration of n-hexane into polystyrene films, we report on the existence of a transition region, not observed by previous investigations, extending for 12 nm below the free surface. The presence of such a layer permits reconciling the behavior of interfacial layers with current models and has profound implications on the performance of ultrathin membranes. We show that the expected increase in the flux of the permeating species is actually overruled by nanoconfinement.

Evidence of a Transition Layer between the Free Surface and the Bulk.

Science.gov (United States)

Ogieglo, Wojciech; Tempelman, Kristianne; Napolitano, Simone; Benes, Nieck E

2018-03-15

The free surface, a very thin layer at the interface between polymer and air, is considered the main source of the perturbations in the properties of ultrathin polymer films, i.e., nanoconfinement effects. The structural relaxation of such a layer is decoupled from the molecular dynamics of the bulk. The free surface is, in fact, able to stay liquid even below the temperature where the polymer resides in the glassy state. Importantly, this surface layer is expected to have a very sharp interface with the underlying bulk. Here, by analyzing the penetration of n-hexane into polystyrene films, we report on the existence of a transition region, not observed by previous investigations, extending for 12 nm below the free surface. The presence of such a layer permits reconciling the behavior of interfacial layers with current models and has profound implications on the performance of ultrathin membranes. We show that the expected increase in the flux of the permeating species is actually overruled by nanoconfinement.

LABORATORY TESTS ON INSECTICIDAL EFFECTIVENESS OF DISODIUM OCTABORATE TETRAHYDRATE, DIATOMACEOUS EARTH AND AMORPHOUS SILICA GEL AGAINST Sitophilus oryzae (L. AND THEIR EFFECT ON WHEAT BULK DENSITY

Directory of Open Access Journals (Sweden)

Zlatko Korunić

2017-01-01

Full Text Available We examined insecticide effectiveness of three different inert dusts: disodium octaborate tetrahydrate (DOT and diatomaceous earth (DE Celatom® Mn 51 applied as powder and suspension, and silica gel Sipernat® 50 S applied as powder against Sitophilus oryzae (L. and their reduction of grain bulk density. Sipernat® 50 S was the most effective dust with a very fast initial effectiveness. DE and DOT generated similar effectiveness against S. oryzae. DOT generated low initial effectiveness but after prolonged exposure time of 8 and especially after 21 days, the mortality was very high (100%, similar to the effectiveness of DE. The similar order of dusts was obtained in the reduction of wheat bulk density. Applied at dose of 200 and 500 ppm, the lowest bulk density difference in regard to bulk density of untreated wheat had DOT (-1.1 and -1.9 kg hl-1, respectively, followed by Celatom® Mn 51 (-3.5 and -4.3 kg hl-1, respectively and Sipernat® 50 S (-5.2 and -5.5 kg hl-1, respectively. Due to the effect on wheat bulk density DOT belongs to the group with the least negative effect on bulk density and therefore, it is a promising dust to control stored grain insect pests.

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

Science.gov (United States)

Zhuang, Houlong L.; Zhou, Jia

2016-11-01

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

Bulk and surface properties of magnesium peroxide MgO2

Science.gov (United States)

Esch, Tobit R.; Bredow, Thomas

2016-12-01

Magnesium peroxide has been identified in Mg/air batteries as an intermediate in the oxygen reduction reaction (ORR) [1]. It is assumed that MgO2 is involved in the solid-electrolyte interphase on the cathode surface. Therefore its structure and stability play a crucial role in the performance of Mg/air batteries. In this work we present a theoretical study of the bulk and low-index surface properties of MgO2. All methods give a good account of the experimental lattice parameters for MgO2 and MgO bulk. The reaction energies, enthalpies and free energies for MgO2 formation from MgO are compared among the different DFT methods and with the local MP2 method. A pronounced dependence from the applied functional is found. At variance with a previous theoretical study but in agreement with recent experiments we find that the MgO2 formation reaction is endothermic (HSE06-D3BJ: ΔH = 51.9 kJ/mol). The stability of low-index surfaces MgO2 (001) (Es = 0.96 J/m2) and (011) (Es = 1.98 J/m2) is calculated and compared to the surface energy of MgO (001). The formation energy of neutral oxygen vacancies in the topmost layer of the MgO2 (001) surface is calculated and compared with defect formation energies for MgO (001).

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis.

Science.gov (United States)

Wilde, Markus; Ohno, Satoshi; Ogura, Shohei; Fukutani, Katsuyuki; Matsuzaki, Hiroyuki

2016-03-29

Nuclear reaction analysis (NRA) via the resonant (1)H((15)N,αγ)(12)C reaction is a highly effective method of depth profiling that quantitatively and non-destructively reveals the hydrogen density distribution at surfaces, at interfaces, and in the volume of solid materials with high depth resolution. The technique applies a (15)N ion beam of 6.385 MeV provided by an electrostatic accelerator and specifically detects the (1)H isotope in depths up to about 2 μm from the target surface. Surface H coverages are measured with a sensitivity in the order of ~10(13) cm(-2) (~1% of a typical atomic monolayer density) and H volume concentrations with a detection limit of ~10(18) cm(-3) (~100 at. ppm). The near-surface depth resolution is 2-5 nm for surface-normal (15)N ion incidence onto the target and can be enhanced to values below 1 nm for very flat targets by adopting a surface-grazing incidence geometry. The method is versatile and readily applied to any high vacuum compatible homogeneous material with a smooth surface (no pores). Electrically conductive targets usually tolerate the ion beam irradiation with negligible degradation. Hydrogen quantitation and correct depth analysis require knowledge of the elementary composition (besides hydrogen) and mass density of the target material. Especially in combination with ultra-high vacuum methods for in-situ target preparation and characterization, (1)H((15)N,αγ)(12)C NRA is ideally suited for hydrogen analysis at atomically controlled surfaces and nanostructured interfaces. We exemplarily demonstrate here the application of (15)N NRA at the MALT Tandem accelerator facility of the University of Tokyo to (1) quantitatively measure the surface coverage and the bulk concentration of hydrogen in the near-surface region of a H2 exposed Pd(110) single crystal, and (2) to determine the depth location and layer density of hydrogen near the interfaces of thin SiO2 films on Si(100).

Surface/state correspondence and bulk local operators in pp-wave holography

Directory of Open Access Journals (Sweden)

Nakwoo Kim

2015-12-01

Full Text Available We apply the surface/state correspondence proposal of Miyaji et al. to IIB pp-waves and propose that the bulk local operators should be instantonic D-branes. In line with ordinary AdS/CFT correspondence, the bulk local operators in pp-waves also create a hole, or a boundary, in the dual gauge theory as pointed out by H. Verlinde, and by Y. Nakayama and H. Ooguri. We also present simple calculations which illustrate how to extract the spacetime metric of pp-waves from instantonic D-branes in boundary state formalism.

Electronic and optical properties of titanium nitride bulk and surfaces from first principles calculations

International Nuclear Information System (INIS)

Mehmood, Faisal; Pachter, Ruth; Murphy, Neil R.; Johnson, Walter E.

2015-01-01

Prediction of the frequency-dependent dielectric function of thin films poses computational challenges, and at the same time experimental characterization by spectroscopic ellipsometry remains difficult to interpret because of changes in stoichiometry and surface morphology, temperature, thickness of the film, or substrate. In this work, we report calculations for titanium nitride (TiN), a promising material for plasmonic applications because of less loss and other practical advantages compared to noble metals. We investigated structural, electronic, and optical properties of stoichiometric bulk TiN, as well as of the TiN(100), TiN(110), and TiN(111) outermost surfaces. Density functional theory (DFT) and many-body GW methods (Green's (G) function-based approximation with screened Coulomb interaction (W)) were used, ranging from G 0 W 0 , GW 0 to partially self-consistent sc-GW 0 , as well as the GW-BSE (Bethe-Salpeter equation) and time-dependent DFT (TDDFT) methods for prediction of the optical properties. Structural parameters and the band structure for bulk TiN were shown to be consistent with previous work. Calculated dielectric functions, plasma frequencies, reflectivity, and the electron energy loss spectrum demonstrated consistency with experiment at the GW 0 -BSE level. Deviations from experimental data are expected due to varying experimental conditions. Comparison of our results to spectroscopic ellipsometry data for realistic nanostructures has shown that although TDDFT may provide a computationally feasible level of theory in evaluation of the dielectric function, application is subject to validation with GW-BSE calculations

Bulk-mediated surface diffusion: non-Markovian desorption and biased behaviour in an infinite system

International Nuclear Information System (INIS)

Revelli, Jorge A; Budde, Carlos E; Wio, Horacio S

2005-01-01

We analyse the dynamics of adsorbed molecules within the bulk-mediated surface diffusion framework. We consider that the particle's desorption mechanism is characterized by a non-Markovian process, while the particle's adsorption and its motion in the bulk are governed by Markovian dynamics, and include the effect of an external field in the form of a bias in the normal motion to the surface. We study this system for the diffusion of particles in a semi-infinite lattice, analysing the conditional probability to find the system on the reference absorptive plane as well as the surface dispersion as functions of time. The agreement between numerical and analytical asymptotic results is discussed

Near Surface Stoichiometry in UO2: A Density Functional Theory Study

Directory of Open Access Journals (Sweden)

Jianguo Yu

2015-01-01

Full Text Available The mechanisms of oxygen stoichiometry variation in UO2 at different temperature and oxygen partial pressure are important for understanding the dynamics of microstructure in these crystals. However, very limited experimental studies have been performed to understand the atomic structure of UO2 near surface and defect effects of near surface on stoichiometry in which the system can exchange atoms with the external reservoir. In this study, the near (110 surface relaxation and stoichiometry in UO2 have been studied with density functional theory (DFT calculations. On the basis of the point-defect model (PDM, a general expression for the near surface stoichiometric variation is derived by using DFT total-energy calculations and atomistic thermodynamics, in an attempt to pin down the mechanisms of oxygen exchange between the gas environment and defected UO2. By using the derived expression, it is observed that, under poor oxygen conditions, the stoichiometry of near surface is switched from hyperstoichiometric at 300 K with a depth around 3 nm to near-stoichiometric at 1000 K and hypostoichiometric at 2000 K. Furthermore, at very poor oxygen concentrations and high temperatures, our results also suggest that the bulk of the UO2 prefers to be hypostoichiometric, although the surface is near-stoichiometric.

Pressure and surface tension of soild-liquid interface using Tarazona density functional theory

Directory of Open Access Journals (Sweden)

M. M.

2000-12-01

Full Text Available   The weighted density functional theory proposed by Tarazona is applied to study the solid-liquid interface. In the last two decades the weighted density functional became a useful tool to consider the properties of inhomogeneous liquids. In this theory, the role of the size of molecules or the particles of which the matter is composed, was found to be important. In this resarch we study a hard sphere fluid beside a hard wall. For this study the liquid is an inhomogeneous system. We use the definition of the direct correlation function as a second derivative of free energy with respect to the density. We use this definition and the definition of the weighting function, then we minimize the grand potential with respect to the density to get the Euler Lagrange equation and we obtain an integral equation to find the inhomogeneous density profile. The obtained density profile as a function of the distance from the wall, for different bulk density is plotted in three dimensions. We also calculate the pressure and compare it with the Carnahan-starling results, and finally we obtained the surface tension at liquid-solid interface and compared it with the results of Monte Carlo simulation.

Effect of annealing ambience on the formation of surface/bulk oxygen vacancies in TiO2 for photocatalytic hydrogen evolution

Science.gov (United States)

Hou, Lili; Zhang, Min; Guan, Zhongjie; Li, Qiuye; Yang, Jianjun

2018-01-01

The surface and bulk oxygen vacancy have a prominent effect on the photocatalytic performance of TiO2. In this study, TiO2 possessing different types and concentration of oxygen vacancies were prepared by annealing nanotube titanic acid (NTA) at various temperatures in air or vacuum atmosphere. TiO2 with the unitary bulk single-electron-trapped oxygen vacancies (SETOVs) formed when NTA were calcined in air. Whereas, TiO2 with both bulk and surface oxygen vacancies were obtained when NTA were annealed in vacuum. The series of TiO2 with different oxygen vacancies were systematically characterized by TEM, XRD, PL, XPS, ESR, and TGA. The PL and ESR analysis verified that surface oxygen vacancies and more bulk oxygen vacancies could form in vacuum atmosphere. Surface oxygen vacancies can trap electron and hinder the recombination of photo-generated charges, while bulk SETOVs act as the recombination center. The surface or bulk oxygen vacancies attributed different roles on the photo-absorbance and activity, leading that the sample of NTA-A400 displayed higher hydrogen evolution rate under UV light, whereas NTA-V400 displayed higher hydrogen evolution rate under visible light because bulk SETOVs can improve visible light absorption because sub-band formed by bulk SETOVs prompted the secondary transition of electron excited.

The effect of bulk/surface defects ratio change on the photocatalysis of TiO2 nanosheet film

Science.gov (United States)

Wang, Fangfang; Ge, Wenna; Shen, Tong; Ye, Bangjiao; Fu, Zhengping; Lu, Yalin

2017-07-01

The photocatalysis behavior of TiO2 nanosheet array films was studied, in which the ratio of bulk/surface defects were adjusted by annealing at different temperature. Combining positron annihilation spectroscopy, EPR and XPS, we concluded that the bulk defects belonged to Ti3+ related vacancy defects. The results show that the separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio of TiO2 nanosheet films, and in turn enhancing the photocatalysis behaviors.

Effect of Cleaving Temperature on the Surface and Bulk Fermi Surface of Sr2RuO4 Investigated by High Resolution Angle-Resolved Photoemission

International Nuclear Information System (INIS)

Liu Shan-Yu; Zhang Wen-Tao; Weng Hong-Ming; Zhao Lin; Liu Hai-Yun; Jia Xiao-Wen; Liu Guo-Dong; Dong Xiao-Li; Zhang Jun; Dai Xi; Fang Zhong; Zhou Xing-Jiang; Mao Zhi-Qiang; Chen Chuang-Tian; Xu Zu-Yan

2012-01-01

High resolution angle-resolved photoemission measurements are carried out to systematically investigate the effect of cleaving temperature on the electronic structures and Fermi surfaces of Sr 2 RuO 4 . Unlike previous reports, which found that a high cleaving temperature can suppress the surface Fermi surface, we find that the surface Fermi surface remains obvious and strong in Sr 2 RuO 4 cleaved at high temperature, even at room temperature. This indicates that cleaving temperature is not a key effective factor in suppressing surface bands. On the other hand, the bulk bands can be enhanced in an aged surface of Sr 2 RuO 4 that has been cleaved and held for a long time. We have also carried out laser ARPES measurements on Sr 2 RuO 4 by using a vacuum ultra-violet laser (photon energy at 6.994 eV) and found an obvious enhancement of bulk bands even for samples cleaved at low temperature. This information is important for realizing an effective approach to manipulating and detecting the surface and bulk electronic structure of Sr 2 RuO 4 . In particular, the enhancement of bulk sensitivity, along with the super-high instrumental resolution of VUV laser ARPES, will be advantageous in investigating fine electronic structure and superconducting properties of Sr 2 RuO 4 in the future. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Effects of bulk and surface conductivity on the performance of CdZnTe pixel detectors

DEFF Research Database (Denmark)

Bolotnikov, A.E.; Chen, C.M.H.; Cook, W.R.

2002-01-01

, the existence of a thin (10-100 A) oxide layer on the surface of CZT, formed during the fabrication process, affects both bulk and surface leakage currents. We demonstrate that the measured I-V dependencies of bulk current can be explained by considering the CZT detector as a metal-semiconductor-metal system......-collection efficiency in detectors with multicontact geometry; some fraction of the electric field lines that originated on the cathode intersects the surface areas between the pixel contacts where the charge produced by an ionizing particle gets trapped. To overcome this effect, we place a grid of thin electrodes...

First-principles study of native defects in bulk Sm2CuO4 and its (001) surface structure

Science.gov (United States)

Zheng, Fubao; Zhang, Qinfang; Meng, Qiangqiang; Wang, Baolin; Song, Fengqi; Yunoki, Seiji; Wang, Guanghou

2018-04-01

Using the first-principles calculations based on the density functional theory, we have studied the bulk defect formation and surface structures of Sm2CuO4. To ensure the accuracy of calculations, the spin order of Cu atoms is rechecked and it is the well-known nearest-neighbor antiferromagnetic ground state, which can be attributed to the hole-mediated superexchange through the strong pdσ hybridization interaction between Cu dx2-y2 electron and the neighboring oxygen px (or py) electron. Under each present experimental condition, the Sm vacancy has a very high formation energy and is unlikely to be stable. The Cu vacancy is a shallow acceptor, which is preferred under O-rich conditions, whereas the O vacancy is a donor and energetically favorable under O-poor conditions. To construct its (001) surface structure, CuOO, CuO, and Cu terminated surfaces are found to be most favorable under different experimental conditions. The stable surface structures are always accompanied by significant surface atomic reconstructions and electron charge redistribution, which are intimately correlated to each other.

Electronic structure of bulk AnO{sub 2} (An = U, Np, Pu) and water adsorption on the (111) and (110) surfaces of UO{sub 2} and PuO{sub 2} from hybrid density functional theory within the periodic electrostatic embedded cluster method

Energy Technology Data Exchange (ETDEWEB)

Wellington, Joseph P.W. [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Kerridge, Andrew [Department of Chemistry, Lancaster University, Bailrigg, Lancaster LA1 4YP (United Kingdom); Austin, Jonathan [National Nuclear Laboratory, Chadwick House, Warrington Road, Birchwood Park, Warrington WA3 6AE (United Kingdom); Kaltsoyannis, Nikolas, E-mail: nikolas.kaltsoyannis@manchester.ac.uk [School of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom)

2016-12-15

Generalised gradient approximation (PBE) and hybrid (PBE0) density functional theory (DFT) within the periodic electrostatic embedded cluster method have been used to study AnO{sub 2} bulk and surfaces (An = U, Np, Pu). The electronic structure has been investigated by examining the projected density of states (PDOS). While PBE incorrectly predicts these systems to be metallic, PBE0 finds them to be insulators, with the composition of the valence and conduction levels agreeing well with experiment. Molecular and dissociative water adsorption on the (111) and (110) surfaces of UO{sub 2} and PuO{sub 2} has been investigated, with that on the (110) surface being stronger than on the (111). Similar energies are found for molecular and dissociative adsorption on the (111) surfaces, while on the (110) there is a clear preference for dissociative adsorption. Adsorption energies and geometries on the (111) surface of UO{sub 2} are in good agreement with recent periodic DFT studies using the GGA+U approach, and our data for dissociative adsorption on the (110) surface of PuO{sub 2} match experiment rather well, especially when dispersion corrections are included. - Graphical abstract: The electronic structures of AnO{sub 2} (An = U, Np, Pu) are studied computationally with hybrid density functional theory, and the geometries and energetics of water adsorption on the low index surfaces are presented.

Effect of tooth brushing on gloss retention and surface roughness of five bulk-fill resin composites.

Science.gov (United States)

O'Neill, Catherine; Kreplak, Laurent; Rueggeberg, Frederick A; Labrie, Daniel; Shimokawa, Carlos Alberto Kenji; Price, Richard Bengt

2018-01-01

To determine the effects of tooth brushing on five bulk-fill resin based composites (RBCs). Ten samples of Filtek Supreme Enamel (control), Filtek One Bulk Fill, Tetric EvoCeram Bulk Fill, SonicFill 2, SDR flow+, and Admira Fusion X-tra were light cured for 20 seconds using the Valo Grand curing light. After 24 hours storage in air at 37°C, specimens were brushed in a random order using Colgate OpticWhite dentifrice and a soft toothbrush. Surface gloss was measured prior to brushing, after 5,000, 10,000 and 15,000 back and forth brushing cycles. Surface roughness was measured after 15,000 brushing cycles using atomic force microscopy (AFM) and selected scanning electron microscope (SEM) images were taken. The data was examined using ANOVA and pair-wise comparisons using Scheffe's post-hoc multiple comparison tests (α = 0.05). Surface gloss decreased and the surface roughness increased after brushing. Two-way ANOVA showed that both the RBC and the number of brushing cycles had a significant negative effect on the gloss. One-way ANOVA showed that the RBC had a significant effect on the roughness after 15,000 brushing cycles. For both gloss and roughness, brushing had the least effect on the nano-filled control and nano-filled bulk-fill RBC, and the greatest negative effect on Admira Fusion X-tra. The SEM images provided visual agreement. There was an excellent linear correlation (R 2  = 0.98) between the logarithm of the gloss and roughness. After brushing, the bulk-fill RBCs were all rougher than the control nano-filled RBC. The nano-filled bulk-fill RBC was the least affected by brushing. Bulk-fill RBCs lose their gloss faster and become rougher than the nanofilled conventional RBC, Filtek Supreme Ultra. The nanofilled bulk-fill RBC was the least affected by tooth brushing. © 2017 Wiley Periodicals, Inc.

Bulk density and aggregate stability assays in percolation columns

Directory of Open Access Journals (Sweden)

М. М. Хордан

2016-12-01

Full Text Available The restoration technologies in areas degraded by extractive activities require the use of their own mine spoils. Reducing deficiencies in physical properties, organic matter, and nutrients with a contribution of treated sewage sludge is proposed. This experiment was based on a controlled study using columns. The work was done with two mine spoils, both very rich in calcium carbonate. Two sewage sludge doses were undertaken (30,000 and 90,000 kg/ha of sewage sludge in addition to a different mine spoils used as restoration substrates. The water contribution was provided by a device that simulated short duration rain. The leached water was collected 24 hours after the last application. The experiment saw the bulk density decrease and the aggregate stability increase, thereby improving the structure. The improved soil structure decreases its vulnerability to degradation processes such as erosion and compaction.

BULK THERMODYNAMICS AND CHARGE FLUCTUATIONS AT NON-VANISHING BARYON DENSITY

International Nuclear Information System (INIS)

MIAO, C.; SCHMIDT, C.

2007-01-01

We present results on bulk thermodynamic quantities as well as net baryon number, strangeness and electric charge fluctuations in QCD at non-zero density and temperature obtained from lattice calculations with almost physical quark masses for two values of the lattice cut-off aT = 1/4 and 1/6. We show that with our improved p4fa3-action the cut-off effects are under control when using lattices with a temporal extent of 6 or larger and that the contribution to the equation of state, which is due to a finite chemical potential is small for μ q /T < 1. Moreover, at vanishing chemical potential, i.e. under conditions almost realized at RHIC and the LHC, quartic fluctuations of net baryon number and strangeness are large in a narrow temperature interval characterizing the transition region from the low to high temperature phase. At non-zero baryon number density, strangeness fluctuations are enhanced and correlated to fluctuations of the net baryon number. If strangeness is furthermore forced to vanish, as it may be the case in systems created in heavy ion collisions, strangeness fluctuations are significantly smaller than baryon number fluctuations

Glass Formation, Chemical Properties and Surface Analysis of Cu-Based Bulk Metallic Glasses

Directory of Open Access Journals (Sweden)

Akihisa Inoue

2011-04-01

Full Text Available This paper reviews the influence of alloying elements Mo, Nb, Ta and Ni on glass formation and corrosion resistance of Cu-based bulk metallic glasses (BMGs. In order to obtain basic knowledge for application to the industry, corrosion resistance of the Cu–Hf–Ti–(Mo, Nb, Ta, Ni and Cu–Zr–Ag–Al–(Nb bulk glassy alloy systems in various solutions are reported in this work. Moreover, X-ray photoelectron spectroscopy (XPS analysis is performed to clarify the surface-related chemical characteristics of the alloy before and after immersion in the solutions; this has lead to a better understanding of the correlation between the surface composition and the corrosion resistance.

Optimising mechanical strength and bulk density of dry ceramic bodies through mixture design

OpenAIRE

Correia, S. L.; Hotza, D.; Segadães, A. M.

2005-01-01

In industrial practice, it is desirable to be able to predict, in an expeditious way, what the effects of a change in raw materials or the proportions thereof might be in the various processing steps towards the final product. When the property of interest is basically determined by the combination (or mixture) of raw materials, an optimisation methodology specific to the design of mixture experiments can be successfully used. In the present study, dry bending strength and bulk density were s...

Pressure and surface tension of solid-liquid interface using Tara zona density functional theory

International Nuclear Information System (INIS)

Moradi, M.; Kavosh Tehrani, M.

2001-01-01

The weighted density functional theory proposed by Tara zona is applied to study the solid-liquid interface. In the last two decades the weighted density functional became a useful tool to consider the properties of inhomogeneous liquids. In this theory, the role of the size of molecules or the particles of which the matter is composed, was found to be important. In this research we study a hard sphere fluid beside a hard wall. For this study the liquid is an inhomogeneous system. We use the definition of the direct correlation function as a second derivative of free energy with respect to the density. We use this definition and the definition of the weighting function, then we minimize the grand potential with respect to the density to get the Euler Lagrange equation and we obtain an integral equation to find the inhomogeneous density profile. The obtained density profile as a function of the distance from the wall, for different bulk density is pitted in three dimensions. We also calculate the pressure and compare it with the Carnahan-Starling results, and finally we obtained the surface tension at liquid-solid interface and compared it with the results of Monte Carlo simulation

The unusual properties of beryllium surfaces

International Nuclear Information System (INIS)

Stumpf, R.; Hannon, J.B.

1994-01-01

Be is a ''marginal metal.'' The stable phase, hcp-Be, has a low Fermi-level density of states and very anisotropic structural and elastic properties, similar to a semiconductor's. At the Be(0001) surface, surface states drastically increase the Fermi-level density of states. The different nature of bonding in bulk-Be and at the Be(0001) surface explains the large outward relaxation. The presence of surface states causes large surface core-level shifts by inducing a higher electrostatic potential in the surface layers and by improving the screening at the surface. The authors experimental and theoretical investigations of atomic vibrations at the Be(0001) surface demonstrate clearly that Be screening of atomic motion by the surface states makes the surface phonon dispersion fundamentally different from that of the bulk. Properties of Be(0001) are so different from those of the bulk that the surface can be considered a new ''phase'' of beryllium with unique electronic and structural characteristics. For comparison they also study Be(11 bar 20), a very open surface without important surface states. Be(11 bar 20) is the only clean s-p metal surface known to reconstruct (1 x 3 missing row reconstruction)

Atomistic simulations of bulk, surface and interfacial polymer properties

Science.gov (United States)

Natarajan, Upendra

In chapter I, quasi-static molecular mechanics based simulations are used to estimate the activation energy of phenoxy rings flips in the amorphous region of a semicrystalline polyimide. Intra and intermolecular contributions to the flip activation energy, the torsional cooperativity accompanying the flip, and the effect of the flip on the motion in the glassy bulk state, are looked at. Also, comparison of the weighted mean activation energy is made with experimental data from solid state NMR measurements; the simulated value being 17.5 kcal/mol., while the experimental value was observed to be 10.5 kcal/mol. Chapter II deals with construction of random copolymer thin films of styrene-butadiene (SB) and styrene-butadiene-acrylonitrile (SBA). The structure and properties of the free surfaces presented by these thin films are analysed by, the atom mass density profiles, backbone bond orientation function, and the spatial distribution of acrylonitrile groups and styrene rings. The surface energies of SB and SBA are calculated using an atomistic equation and are compared with experimental data in the literature. In chapter III, simulations of polymer-polymer interfaces between like and unlike polymers, specifically cis-polybutadiene (PBD) and atatic polypropylene (PP), are presented. The structure of an incompatible polymer-polymer interface, and the estimation of the thermodynamic work of adhesion and interfacial energy between different incompatible polymers, form the focus here. The work of adhesion is calculated using an atomistic equation and is further used in a macroscopic equation to estimate the interfacial energy. The interfacial energy is compared with typical values for other immiscible systems in the literature. The interfacial energy compared very well with interfacial energy values for a few other immiscible hydrocarbon pairs. In chapter IV, the study proceeds to look at the interactions between nonpolar and polar small molecules with SB and SBA thin

Links between matrix bulk density, macropore characteristics and hydraulic behavior of soils

DEFF Research Database (Denmark)

Katuwal, Sheela; Møldrup, Per; Lamandé, Mathieu

2013-01-01

characteristics on soil hydraulic functions has rarely been studied. With the objective of studying the links between these parameters we quantified macropore characteristics of intact soil columns (19 cm diameter x 20 cm high) from two agricultural field sites (Silstrup and Faardrup) in Denmark using coarse...... resolution X-ray CT and linked them with laboratory measurements of air permeability and leaching experiment. In addition to macropore characteristics, we also quantified the CT-number of the matrix as a measure of the bulk density of the matrix, i.e., excluding macropores in the soil. Soils from the two...

Characteristic of Polymer-Impregnated Cement Mortar: Composites: Bulk Density and Microstructure

International Nuclear Information System (INIS)

Younes, M.M.; Abo-El-Enein, S.A.; El-Saft, M.M.; Sadek, M.A.; Zohdy, K.M.

2010-01-01

The effect of radiation initiated polymerization of some monomers on the physical properties of polymer-incorporated mortar was studied. The monomers used were: castor oil (C.O.), 4, 4'-diphenylmethane diisocyanate (MDI) and methyl methacrylate (MMA). Polymerization was carried out by subjecting the monomer-impregnated mortar specimens to different doses of gamma radiation. Where polyurethane (pu) and polyurethane -methyl methacrylate copolymers were formed within the pore system. The influence of polymer impregnation on the various physico-mechanical characteristics of the resulting composites was studied with respect to bulk density and polymer loading. Scanning electron microscopy (SEM) was employed to study the micro-structural characteristics of the neat hardened Ordinary Portland Cement (OPC) mortar pastes and their polymer-impregnated composites

Preliminary study of the relationship between surface and bulk water temperatures at the Dresden cooling pond

International Nuclear Information System (INIS)

Wesely, M.L.; Hicks, B.B.; Hess, G.D.

1975-01-01

Successful application of bulk aerodynamic formulae to determine the vertical sensible and latent heat fluxes above a cooling lake requires accurate estimates of water surface temperature. Because of the heat loss at the surface and partial insulation by the poorly-mixed outer skin of water in contact with the air-water interface, the surface temperature is usually 0.1 to 2.0 C less than the temperature at a depth greater than 1 cm. For engineering applications requiring estimates of the total heat dissipation capacity of a particular cooling lake, the bulk temperature of the entire mixed layer of subsurface water is more important than the surface temperature. Therefore, in order to simulate the thermal performance of a cooling pond, both the surface temperature and the bulk temperature should be estimated. In the case of cooling ponds, the total heat transfer through the uppermost layer is extremely large and the water beneath the surface is strongly mixed by circulation currents within the pond. The purpose of this report is to describe the magnitude of the temperature difference across the surface skin at the Dresden nuclear power plant cooling pond and to relate this difference to variables used in modeling the thermal performance of cooling ponds

Coupling aerosol surface and bulk chemistry with a kinetic double layer model (K2-SUB: oxidation of oleic acid by ozone

Directory of Open Access Journals (Sweden)

C. Pfrang

2010-05-01

Full Text Available We present a kinetic double layer model coupling aerosol surface and bulk chemistry (K2-SUB based on the PRA framework of gas-particle interactions (Pöschl-Rudich-Ammann, 2007. K2-SUB is applied to a popular model system of atmospheric heterogeneous chemistry: the interaction of ozone with oleic acid. We show that our modelling approach allows de-convoluting surface and bulk processes, which has been a controversial topic and remains an important challenge for the understanding and description of atmospheric aerosol transformation. In particular, we demonstrate how a detailed treatment of adsorption and reaction at the surface can be coupled to a description of bulk reaction and transport that is consistent with traditional resistor model formulations.

From literature data we have derived a consistent set of kinetic parameters that characterise mass transport and chemical reaction of ozone at the surface and in the bulk of oleic acid droplets. Due to the wide range of rate coefficients reported from different experimental studies, the exact proportions between surface and bulk reaction rates remain uncertain. Nevertheless, the model results suggest an important role of chemical reaction in the bulk and an approximate upper limit of ~10⁻¹¹ cm² s⁻¹ for the surface reaction rate coefficient. Sensitivity studies show that the surface accommodation coefficient of the gas-phase reactant has a strong non-linear influence on both surface and bulk chemical reactions. We suggest that K2-SUB may be used to design, interpret and analyse future experiments for better discrimination between surface and bulk processes in the oleic acid-ozone system as well as in other heterogeneous reaction systems of atmospheric relevance.

Interplay between surface and bulk states in the Topological Kondo Insulator SmB6

Science.gov (United States)

Biswas, Sangram; Hatnean, Monica Ciomaga; Balakrishnan, Geetha; Bid, Aveek

Kondo insulator SmB6 is predicted to have topologically protected conducting surface states(TSS). We have studied electrical transport through surface states(SS) at ultra-low temperatures in single crystals of SmB6 using local-nonlocal transport scheme and found a large nonlocal signal at temperatures lower than bulk Kondo gap scale. Using resistance fluctuation spectroscopy, we probed the local and nonlocal transport channels and showed that at low temperatures, transport in this system takes place only through SS. The measured noise in this temperature range arises due to Universal Conductance Fluctuations whose statistics was found to be consistent with theoretical predictions for that of 2D systems in the Symplectic symmetry class. We studied the temperature dependence of noise and found that, unlike the topological insulators of the dichalcogenide family, the noise in surface and bulk conduction channels in SmB6 are uncorrelated - at sufficiently low temperatures, the bulk has no discernible contribution to electrical transport in SmB6 making it an ideal platform for probing the physics of TSS. Nanomission, Department of Science & Technology (DST) and Indian Institute of Scienc and EPSRC, UK, Grant EP/L014963/1.

Electronic and structural properties of TiB2: Bulk, surface, and nanoscale effects

International Nuclear Information System (INIS)

Volonakis, George; Tsetseris, Leonidas; Logothetidis, Stergios

2011-01-01

Titanium diboride (TiB 2 ), is a widely used hard material that comprises graphene-like layers of B and intercalated Ti atoms. Here we report the results of extensive first-principles calculations on key properties of bulk TiB 2 , TiB 2 surfaces, and TiB 2 nanocrystals (NCs). The computational approach is first validated based on the agreement between calculated structural and electronic properties of bulk TiB 2 and available experimental and theoretical data. We then obtain the formation energies for several surface cuts and use these values to construct TiB 2 NCs based on the Wulff theorem. Finally, we demonstrate by studying the adsorption of small molecules that hydrogen and oxygen adatoms can be attached through strongly exothermic chemisorption reactions on TiB 2 surfaces. Likewise, water molecules bind on various TiB 2 surfaces and NC facets, with an energetic preference for the latter. The results are relevant to applications that depend on reactivity-related TiB 2 properties, for example resistance to corrosion and interactions with water-based solutions.

Surface current density K: an introduction

DEFF Research Database (Denmark)

McAllister, Iain Wilson

1991-01-01

The author discusses the vector surface of current density K used in electrical insulation studies. K is related to the vector tangential electric field Kt at the surface of a body by the vector equation K=ΓE t where Γ represents the surface conductivity. The author derives a surface continuity...

Scattered surface charge density: A tool for surface characterization

KAUST Repository

Naydenov, Borislav

2011-11-28

We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished by mapping the amplitude and phase of the scattered surface charge density. As an example, we study single-H-atom adsorption on the n-type Si(100)-(4 × 2) surface, and demonstrate the existence of two different configurations that are distinguishable using the nonlocal approach and successfully corroborated by density functional theory. © 2011 American Physical Society.

Scattered surface charge density: A tool for surface characterization

KAUST Repository

Naydenov, Borislav; Mantega, Mauro; Rungger, Ivan; Sanvito, Stefano; Boland, John J.

2011-01-01

We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished by mapping the amplitude and phase of the scattered surface charge density. As an example, we study single-H-atom adsorption on the n-type Si(100)-(4 × 2) surface, and demonstrate the existence of two different configurations that are distinguishable using the nonlocal approach and successfully corroborated by density functional theory. © 2011 American Physical Society.

The effects of irradiance and exposure time on the surface roughness of bulk-fill composite resin restorative materials

Science.gov (United States)

Alkhudhairy, Fahad I.

2018-01-01

Objectives: To evaluate the surface roughness of 4 different bulk-fill resin-based composites cured using different irradiance levels. Methods: This in vitro study was performed in February 2017 to August 2017 at the College of Dentistry, King Saud University. Twenty-four specimens were prepared from each of the bulk-fill materials [Tetric N-Ceram (TNC), SonicFill (SF), Smart Dentin Replacement (SDR), and Filtek Bulk-Fill (FB)] using a brass metal mold, resulting in a total of 96 specimens, cured using a Bluephase N light curing unit. Half of the total number of specimens (N=48) were cured using high-power irradiance (1200 mW/cm2) for 20 seconds, while the remaining half (N=48) were cured using low power irradiance (650 mW/cm2) for 40 seconds. After 24 hours, baseline surface roughness of each specimen was analyzed using a profilometer, then polished using Sof-lex abrasive disks, and the surface roughness of all groups was assessed. Results: Post-polished SonicFill cured at high irradiance had the highest mean surface roughness (0.23±0.03), whereas pre-polished Smart Dentin Replacement (0.11±0.01) and SonicFill (0.11±0.02) cured at low irradiance had the lowest mean surface roughness. Conclusion: High curing irradiance (1,200 mW/cm2) had no positive influence on the surface roughness of Filtek Bulk Fill and Tetric N-Ceram bulk-fill RBCs compared with lower curing irradiance (650 mW/cm2). However, the difference of curing irradiance significantly affected the surface roughness in SDR and sonic fill RBCs. PMID:29436570

Bulk and surface event identification in p-type germanium detectors

Science.gov (United States)

Yang, L. T.; Li, H. B.; Wong, H. T.; Agartioglu, M.; Chen, J. H.; Jia, L. P.; Jiang, H.; Li, J.; Lin, F. K.; Lin, S. T.; Liu, S. K.; Ma, J. L.; Sevda, B.; Sharma, V.; Singh, L.; Singh, M. K.; Singh, M. K.; Soma, A. K.; Sonay, A.; Yang, S. W.; Wang, L.; Wang, Q.; Yue, Q.; Zhao, W.

2018-04-01

The p-type point-contact germanium detectors have been adopted for light dark matter WIMP searches and the studies of low energy neutrino physics. These detectors exhibit anomalous behavior to events located at the surface layer. The previous spectral shape method to identify these surface events from the bulk signals relies on spectral shape assumptions and the use of external calibration sources. We report an improved method in separating them by taking the ratios among different categories of in situ event samples as calibration sources. Data from CDEX-1 and TEXONO experiments are re-examined using the ratio method. Results are shown to be consistent with the spectral shape method.

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

Science.gov (United States)

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.

Charge Dynamics in near-Surface, Variable-Density Ensembles of Nitrogen-Vacancy Centers in Diamond.

Science.gov (United States)

Dhomkar, Siddharth; Jayakumar, Harishankar; Zangara, Pablo R; Meriles, Carlos A

2018-06-13

Although the spin properties of superficial shallow nitrogen-vacancy (NV) centers have been the subject of extensive scrutiny, considerably less attention has been devoted to studying the dynamics of NV charge conversion near the diamond surface. Using multicolor confocal microscopy, here we show that near-surface point defects arising from high-density ion implantation dramatically increase the ionization and recombination rates of shallow NVs compared to those in bulk diamond. Further, we find that these rates grow linearly, not quadratically, with laser intensity, indicative of single-photon processes enabled by NV state mixing with other defect states. Accompanying these findings, we observe NV ionization and recombination in the dark, likely the result of charge transfer to neighboring traps. Despite the altered charge dynamics, we show that one can imprint rewritable, long-lasting patterns of charged-initialized, near-surface NVs over large areas, an ability that could be exploited for electrochemical biosensing or to optically store digital data sets with subdiffraction resolution.

Subthreshold radiation-induced processes in the bulk and on surfaces and interfaces of solids

International Nuclear Information System (INIS)

Itoh, N.

1998-01-01

A review is given on the processes induced under irradiation by electronic encounters and by elastic encounters below the knock-on threshold. It is pointed out that electronic encounters cause bond scission that results in defect formation and sputtering in a variety of materials. The conditions for generation of permanent radiation-induced process as a consequence of electronic encounters are critically examined. Two critical issues are localization of electronic excitation energy and energetics. Self-trapping of excitons is one way of localization; otherwise defects are involved in localization and therefore in radiation-induced processes (RIP) by electronic excitation. Arguments on energetics indicate presence of linear and nonlinear electronic process with respect to the density of excitation. The registration of energetic heavy-ion tracks is explained in terms of non-linear electronic processes. The difference in the processes in the bulk, on surfaces and at interfaces is critically discussed. The possible contribution of subthreshold elastic encounters to thermodynamically driven interface reaction is also discussed. (orig.)

Surface and bulk modified high capacity layered oxide cathodes with low irreversible capacity loss

Science.gov (United States)

Manthiram, Arumugam (Inventor); Wu, Yan (Inventor)

2010-01-01

The present invention includes compositions, surface and bulk modifications, and methods of making of (1-x)Li[Li.sub.1/3Mn.sub.2/3]O.sub.2.xLi[Mn.sub.0.5-yNi.sub.0.5-yCo.sub.2- y]O.sub.2 cathode materials having an O3 crystal structure with a x value between 0 and 1 and y value between 0 and 0.5, reducing the irreversible capacity loss in the first cycle by surface modification with oxides and bulk modification with cationic and anionic substitutions, and increasing the reversible capacity to close to the theoretical value of insertion/extraction of one lithium per transition metal ion (250-300 mAh/g).

Bulk density, cone index and water content relations for some Ghanian soils

International Nuclear Information System (INIS)

Agodzo, S.K.; Adama, I.

2004-01-01

Correlations were established between water content θ, bulk density ρ and cone index Δ for 4 Ghanaian soils, namely, Kumasi, Akroso, Nta and Offin series. The relationship between Δ and θ is in the form Δ = a θ 2 + b θ + c, where the correlation coefficients r 2 for the various soils were found to be very high. Similarly, Δ - ρ relationships were linear but the correlations got weaker with increasing sand content of the soil, as expected. Soil sample sizes and compaction procedures did not conform to standard procedures, yet the results did not deviate from what pertains when standard procedures are used. (author)

Imaging of surface spin textures on bulk crystals by scanning electron microscopy

Science.gov (United States)

Akamine, Hiroshi; Okumura, So; Farjami, Sahar; Murakami, Yasukazu; Nishida, Minoru

2016-11-01

Direct observation of magnetic microstructures is vital for advancing spintronics and other technologies. Here we report a method for imaging surface domain structures on bulk samples by scanning electron microscopy (SEM). Complex magnetic domains, referred to as the maze state in CoPt/FePt alloys, were observed at a spatial resolution of less than 100 nm by using an in-lens annular detector. The method allows for imaging almost all the domain walls in the mazy structure, whereas the visualisation of the domain walls with the classical SEM method was limited. Our method provides a simple way to analyse surface domain structures in the bulk state that can be used in combination with SEM functions such as orientation or composition analysis. Thus, the method extends applications of SEM-based magnetic imaging, and is promising for resolving various problems at the forefront of fields including physics, magnetics, materials science, engineering, and chemistry.

Anisotropy and intergrain current density in oriented grained bulk YBa2Cu3Ox superconductor

International Nuclear Information System (INIS)

Selvamanickam, V.; Salama, K.

1990-01-01

The intergrain transport current density and its anisotropy have been studied in oriented grained bulk YBa 2 Cu 3 O x superconductors fabricated by the liquid phase processing method. Current density measurements were performed on oriented grained samples with the transport current aligned at different angles to the a-b plane. In these measurements, the transport current passed through several oriented grain boundaries. The results indicate that the critical current density drops rapidly when the transport current flows at small angles to the a-b plane and then decreases slowly at larger angles. At 77 K and zero magnetic field, an anisotropy ratio of about 25 is observed between J c along a-b plane and that perpendicular to the plane. Further, the critical current density in these samples is found to depend weakly on magnetic field even though the current crosses grain boundaries. These results support the notion that grain boundaries of these superconductors are different in nature from those of solid-state sintered samples.

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

Science.gov (United States)

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.

Large area bulk superconductors

Science.gov (United States)

Miller, Dean J.; Field, Michael B.

2002-01-01

A bulk superconductor having a thickness of not less than about 100 microns is carried by a polycrystalline textured substrate having misorientation angles at the surface thereof not greater than about 15.degree.; the bulk superconductor may have a thickness of not less than about 100 microns and a surface area of not less than about 50 cm.sup.2. The textured substrate may have a thickness not less than about 10 microns and misorientation angles at the surface thereof not greater than about 15.degree.. Also disclosed is a process of manufacturing the bulk superconductor and the polycrystalline biaxially textured substrate material.

Transport properties of high-temperature superconductors: Surface vs bulk effect

International Nuclear Information System (INIS)

Burlachkov, L.; Koshelev, A.E.; Vinokur, V.M.

1996-01-01

We investigate surface-related transport properties of high-temperature superconductors. We find the mean vortex velocity under applied transport current determined by the activation energies for vortex penetration and exit through the Bean-Livingston barrier. We determine the current distribution between the surfaces of superconductor and the field and current dependencies of the transport activation energies. For a three-dimensional superconductor the transport activation energy, U s 3D , is found to decrease with the external field, H, and transport current, J, as U s 3D ∝H -1/2 and U s 3D ∝J -1/2 , respectively. In the quasi-two-dimensional compounds, U s 2D decays logarithmically with field and current. The interplay between the surface and the bulk contributions to the transport properties, such as current-voltage characteristics, is discussed. copyright 1996 The American Physical Society

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

Science.gov (United States)

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; Pchocolate-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.

Surface and bulk crystallization of amorphous solid water films: Confirmation of “top-down” crystallization

Energy Technology Data Exchange (ETDEWEB)

Yuan, Chunqing; Smith, R. Scott; Kay, Bruce D.

2016-10-01

The crystallization kinetics of nanoscale amorphous solid water (ASW) films are investigated using temperature-programmed desorption (TPD) and reflection absorption infrared spectroscopy (RAIRS). TPD measurements are used to probe surface crystallization and RAIRS measurements are used to probe bulk crystallization. Isothermal TPD results show that surface crystallization is independent of the film thickness (from 100 to 1000 ML). Conversely, the RAIRS measurements show that the bulk crystallization time increases linearly with increasing film thickness. These results suggest that nucleation and crystallization begin at the ASW/vacuum interface and then the crystallization growth front propagates linearly into the bulk. This mechanism was confirmed by selective placement of an isotopic layer (5% D2O in H2O) at various positions in an ASW (H2O) film. In this case, the closer the isotopic layer was to the vacuum interface, the earlier the isotopic layer crystallized. These experiments provide direct evidence to confirm that ASW crystallization in vacuum proceeds by a “top-down” crystallization mechanism.

A molecular dynamics investigation of the surface tension of water nanodroplets and a new technique for local pressure determination through density correlation

Science.gov (United States)

Leong, Kai-Yang; Wang, Feng

2018-04-01

The surface tension of nanoscale droplets of water was studied with molecular dynamics simulations using the BLYPSP-4F water potential. The internal pressure of the droplet was measured using an empirical correlation between the pressure and density, established through a series of bulk simulations performed at pressures from 1 to 1000 bars. Such a procedure allows for reliable determination of internal pressure without the need to calculate the local virial. The surface tension, estimated with the Young-Laplace relation, shows good agreement with the Tolman equation with a Tolman length of -0.48 Å. The interface of a liquid water droplet is shown to be around 1.1-1.3 nm thick depending on radii. The fairly thick interface region puts a lower limit on the size of droplets that still have a bulk-like interior.

Dissociation and diffusion of hydrogen on defect-free and vacancy defective Mg (0001) surfaces: A density functional theory study

Energy Technology Data Exchange (ETDEWEB)

Han, Zongying [College of Chemical and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); Union Research Center of Fuel Cell, School of Chemical and Environmental Engineering, China University of Mining and Technology, Beijing 100083 (China); Chen, Haipeng [College of Chemical and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); College of Mechanical and Electronic Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); Zhou, Shixue, E-mail: zhoushixue66@163.com [College of Chemical and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); College of Mechanical and Electronic Engineering, Shandong University of Science and Technology, Qingdao 266590 (China)

2017-02-01

Highlights: • Clarify the effect of vacancy defect on H{sub 2} dissociation on Mg (0001) surface. • Demonstrate the effects of vacancy defect on H atom diffusion. • Reveal the minimum energy diffusion path of H atom from magnesium surface into bulk. - Abstract: First-principles calculations with the density functional theory (DFT) have been carried out to study dissociation and diffusion of hydrogen on defect-free and vacancy defective Mg (0001) surfaces. Results show that energy barriers of 1.42 eV and 1.28 eV require to be overcome for H{sub 2} dissociation on defect-free and vacancy defective Mg (0001) surfaces respectively, indicating that reactivity of Mg (0001) surface is moderately increased due to vacancy defect. Besides, the existence of vacancy defect changes the preferential H atom diffusion entrance to the subsurface and reduces the diffusion energy barrier. An interesting remark is that the minimum energy diffusion path of H atom from magnesium surface into bulk is a spiral channel formed by staggered octahedral and tetrahedral interstitials. The diffusion barriers computed for H atom penetration from the surface into inner-layers are all less than 0.70 eV, which is much smaller than the activation energy for H{sub 2} dissociation on the Mg (0001) surface. This suggests that H{sub 2} dissociation is more likely than H diffusion to be rate-limiting step for magnesium hydrogenation.

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.

Science.gov (United States)

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 (...

The homogeneity of levitation force in single domain YBCO bulk

International Nuclear Information System (INIS)

Zhou Keran; Xu Kexi; Wu Xingda; Pan Pengjun

2007-01-01

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 2 Cu 3 O 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 2 Cu 3 O 7-δ bulk

The homogeneity of levitation force in single domain YBCO bulk

Science.gov (United States)

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.

Temperature dependence of the bulk and surface properties of liquid Zn-Cd alloys

Energy Technology Data Exchange (ETDEWEB)

Awe, O.E. [University of Ibadan, Department of Physics, Ibadan (Nigeria); Azeez, A.A. [African University of Science and Technology, Abuja (Nigeria)

2017-05-15

The effects of temperature on the bulk and surface properties of liquid Zn-Cd alloys have been theoretically investigated, using a combination of self association model, Darken's thermodynamic equation for diffusion, empirical model for viscosity and a statistical mechanics model. The results from this study show that change in temperature resulted in cross-over effects in bulk and surface properties. We also found that with an increase in temperature, a pronounced asymmetry of viscosity isotherm is significantly reduced, and viscosity isotherm exhibited anomalous behaviour. Our results reveal that the homocoordination tendency in Zn-Cd liquid alloys is not strong and reduces with increasing temperature. The study further suggests a pronounced segregation of Cd-atoms at the surface of Zn-Cd liquid alloys and the extent of segregation reduces with temperature. We as well found that, in addition to the reported understanding that size-factor determines the compositional location of asymmetry of the viscosity isotherm, temperature is an operating parameter that has effect, not only on the composition of asymmetry, but also on the magnitude of asymmetry. In all the properties investigated, the most pronounced effect of temperature (52.9 %) is on the viscosity while the least effect (7.1 %) is on the surface tension. (orig.)

Viscous surface flow induced on Ti-based bulk metallic glass by heavy ion irradiation

Energy Technology Data Exchange (ETDEWEB)

Zhang, Kun [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China); Hu, Zheng [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China); Science and Technology on Vehicle Transmission Laboratory, China North Vehicle Research Institute, Beijing 100072 (China); Li, Fengjiang [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China); Wei, Bingchen, E-mail: weibc@imech.ac.cn [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China)

2016-12-30

Highlights: • Obvious smoothing and roughening phases on the Ti-based MG surface resulted, which correspond respectively to the normal and off-normal incidence angles. • Atomic force microscopy confirms two types of periodic ripples distributed evenly over the rough surface. • The irradiation-induced viscosity of MG is about 4×10{sup 12} Pa·s, which accords with the theoretical prediction for metallic glasses close to glass transition temperature. • Surface-confined viscous flow plays a dominant quantitative role, which is due to radiation-induced softening of the low-viscosity surface layer. - Abstract: Ti-based bulk metallic glass was irradiated by a 20 MeV Cl{sup 4+} ion beam under liquid-nitrogen cooling, which produced remarkable surface smoothing and roughening that respectively correspond to normal and off-normal incidence angles of irradiation. Atomic force microscopy confirms two types of periodic ripples distributed evenly over the rough glass surface. In terms of mechanism, irradiation-induced viscosity agrees with the theoretical prediction for metallic glasses near glass transition temperature. Here, a model is introduced, based on relaxation of confined viscous flow with a thin liquid-like layer, that explains both surface smoothing and ripple formation. This study demonstrates that bulk metallic glass has high morphological instability and low viscosity under ion irradiation, which assets can pave new paths for metallic glass applications.

Surface conduction of topological Dirac electrons in bulk insulating Bi2Se3

Science.gov (United States)

Fuhrer, Michael

2013-03-01

The three dimensional strong topological insulator (STI) is a new phase of electronic matter which is distinct from ordinary insulators in that it supports on its surface a conducting two-dimensional surface state whose existence is guaranteed by topology. I will discuss experiments on the STI material Bi2Se3, which has a bulk bandgap of 300 meV, much greater than room temperature, and a single topological surface state with a massless Dirac dispersion. Field effect transistors consisting of thin (3-20 nm) Bi2Se3 are fabricated from mechanically exfoliated from single crystals, and electrochemical and/or chemical gating methods are used to move the Fermi energy into the bulk bandgap, revealing the ambipolar gapless nature of transport in the Bi2Se3 surface states. The minimum conductivity of the topological surface state is understood within the self-consistent theory of Dirac electrons in the presence of charged impurities. The intrinsic finite-temperature resistivity of the topological surface state due to electron-acoustic phonon scattering is measured to be ~60 times larger than that of graphene largely due to the smaller Fermi and sound velocities in Bi2Se3, which will have implications for topological electronic devices operating at room temperature. As samples are made thinner, coherent coupling of the top and bottom topological surfaces is observed through the magnitude of the weak anti-localization correction to the conductivity, and, in the thinnest Bi2Se3 samples (~ 3 nm), in thermally-activated conductivity reflecting the opening of a bandgap.

Determination of mass density, dielectric, elastic, and piezoelectric constants of bulk GaN crystal.

Science.gov (United States)

Soluch, Waldemar; Brzozowski, Ernest; Lysakowska, Magdalena; Sadura, Jolanta

2011-11-01

Mass density, dielectric, elastic, and piezoelectric constants of bulk GaN crystal were determined. Mass density was obtained from the measured ratio of mass to volume of a cuboid. The dielectric constants were determined from the measured capacitances of an interdigital transducer (IDT) deposited on a Z-cut plate and from a parallel plate capacitor fabricated from this plate. The elastic and piezoelectric constants were determined by comparing the measured and calculated SAW velocities and electromechanical coupling coefficients on the Z- and X-cut plates. The following new constants were obtained: mass density p = 5986 kg/m(3); relative dielectric constants (at constant strain S) ε(S)(11)/ε(0) = 8.6 and ε(S)(11)/ε(0) = 10.5, where ε(0) is a dielectric constant of free space; elastic constants (at constant electric field E) C(E)(11) = 349.7, C(E)(12) = 128.1, C(E)(13) = 129.4, C(E)(33) = 430.3, and C(E)(44) = 96.5 GPa; and piezoelectric constants e(33) = 0.84, e(31) = -0.47, and e(15) = -0.41 C/m(2).

Bulk and Surface Structures of Palladium-Modified Copper-Zinc Oxides ex Hydroxycarbonate Precursors

NARCIS (Netherlands)

López Granados, M.; Melián-Cabrera, I.; Fierro, J.L.G.

2002-01-01

(Pd)-Cu-Zn ex hydroxycarbonate precursors were prepared and characterized by several bulk and surface techniques. A palladium-free Cu-Zn precursor (CZ) was prepared by coprecipitation. Two Pd-Cu-Zn samples were prepared by coprecipitation (PCZ-CP) and sequential precipitation (PCZ-SP). It is shown

Effect of sample moisture and bulk density on performance of the 241Am-Be source based prompt gamma rays neutron activation analysis setup. A Monte Carlo study

International Nuclear Information System (INIS)

Almisned, Ghada

2010-01-01

Monte Carlo simulations were carried out using the dependence of gamma ray yield on the bulk density and moisture content for five different lengths of Portland cement samples in a thermal neutron capture based Prompt Gamma ray Neutron Activation Analysis (PGNAA) setup for source inside moderator geometry using an 241 Am-Be neutron source. In this study, yields of 1.94 and 6.42 MeV prompt gamma rays from calcium in the five Portland cement samples were calculated as a function of sample bulk density and moisture content. The study showed a strong dependence of the 1.94 and 6.42 MeV gamma ray yield upon the sample bulk density but a weaker dependence upon sample moisture content. For an order of magnitude increase in the sample bulk density, an order of magnitude increase in the gamma rays yield was observed, i.e., a one-to-one correspondence. In case of gamma ray yield dependence upon sample moisture content, an order of magnitude increase in the moisture content of the sample resulted in about 16-17% increase in the yield of 1.94 and 6.42 MeV gamma rays from calcium. (author)

The microstructure of MX-80 clay with respect to its bulk physical properties under different environmental conditions

International Nuclear Information System (INIS)

Pusch, R.

2001-03-01

A model of microstructural evolution of MX-80 buffer is presented in the report.Quantification of the microstructure is made by use of digitalized micrographs taken by transmission electron microscopy using suitably impregnated specimens with appropriate thickness. The model is termed MMM, a successor of the earlier GMM. Practically useful microstructural parameters refer to the fraction of a thin section that represents dense and soft parts of the clay matrix. The derived microstructural parameters are directly coupled to the most important bulk physical properties, i.e. the hydraulic conductivity, gas penetrability, swelling pressure and cation/anion diffusion capacities. The study has shown that even at very high densities, softer and more pervious zones exist in the form of interconnected 'external' voids filled with more or less dense clay gels. At bulk densities exceeding 2000 kg/m 3 after water saturation, the gel density is also high but for low bulk densities it may be so much reduced that the gels do not remain stable at high electrolyte content of the pore water. The fact that the density variations are small for high bulk densities means that the separation of matrix components ('fracturing') that is required for letting gas through is on the same order of magnitude as the bulk swelling pressure. For lower bulk densities, displacement or consolidation of the clay gels in 'external' voids is concluded to take place in conjunction with gas penetration. At high densities the limited degree of continuity and constrictions of the channels leading to anion-excluding charge conditions mean that the anion diffusion capacity is very low, while cation diffusion may be extensive because it takes place not only through channels but also through the inter lamellar space and along the surfaces of stacks of lamellae, i.e. by surface diffusion. Two Pre-Quaternary clays that have been investigated and characterized with respect to the microstructure represent two

The microstructure of MX-80 clay with respect to its bulk physical properties under different environmental conditions

Energy Technology Data Exchange (ETDEWEB)

Pusch, R. [Geodevelopment AB, Lund (Sweden)

2001-03-01

A model of microstructural evolution of MX-80 buffer is presented in the report.Quantification of the microstructure is made by use of digitalized micrographs taken by transmission electron microscopy using suitably impregnated specimens with appropriate thickness. The model is termed MMM, a successor of the earlier GMM. Practically useful microstructural parameters refer to the fraction of a thin section that represents dense and soft parts of the clay matrix. The derived microstructural parameters are directly coupled to the most important bulk physical properties, i.e. the hydraulic conductivity, gas penetrability, swelling pressure and cation/anion diffusion capacities. The study has shown that even at very high densities, softer and more pervious zones exist in the form of interconnected 'external' voids filled with more or less dense clay gels. At bulk densities exceeding 2000 kg/m{sup 3} after water saturation, the gel density is also high but for low bulk densities it may be so much reduced that the gels do not remain stable at high electrolyte content of the pore water. The fact that the density variations are small for high bulk densities means that the separation of matrix components ('fracturing') that is required for letting gas through is on the same order of magnitude as the bulk swelling pressure. For lower bulk densities, displacement or consolidation of the clay gels in 'external' voids is concluded to take place in conjunction with gas penetration. At high densities the limited degree of continuity and constrictions of the channels leading to anion-excluding charge conditions mean that the anion diffusion capacity is very low, while cation diffusion may be extensive because it takes place not only through channels but also through the inter lamellar space and along the surfaces of stacks of lamellae, i.e. by surface diffusion. Two Pre-Quaternary clays that have been investigated and characterized with respect to the

Perovskite oxides: Oxygen electrocatalysis and bulk structure

Science.gov (United States)

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.

Immobilization of the Enzyme Glucose Oxidase on Both Bulk and Porous SiO2 Surfaces

Directory of Open Access Journals (Sweden)

Fulvia Sinatra

2008-09-01

Full Text Available Silicon dioxide surfaces, both bulk and porous, were used to anchor the enzyme glucose oxidase. The immobilization protocol was optimized and the samples characterized using X-ray Photoelectron Spectroscopy, Energy Dispersive X-rays coupled to scanning electron microscopy and enzymatic activity measurements. We show that a uniform layer was obtained by activating the oxide before immobilization. X-ray Photoelectron Spectroscopy measurements carried out on bulk oxide showed that the silicon substrate signal was fully screened after the enzyme deposition showing the absence of uncovered surface regions. The enzyme presence was detected monitoring both the C 1s and N 1s signals. Finally, enzymatic activity measurements confirmed that the glucose oxidase activity was preserved after immobilization and maintained after three months of shelf life if the sample was properly stored. The importance of using porous silicon oxide to maximize the surface area was also evidenced.

Bulk and surface characterization of novel photoresponsive polymeric systems

Science.gov (United States)

Venkataramani, Shivshankar

This dissertation presents a detailed characterization of two important classes of photoresponsive polymers-polydiacetylenes (PDAs) and azopolymers. Bulk and surface characterization techniques were used to evaluate the structure-property relationships of the PDAs and surface characterization, in particular-atomic force microscopy (AFM) was used to characterize the azopolymers. PDAs from bis-alkylurethanes of 5,7 dodecadiyn 1,12-diol (viz.,) ETCD, IPUDO and PUDO are of particular interest in view of reports of reversible thermochromic and photochromic phase transitions in these materials. Thermochromism in the above PDAs is associated with a first order phase transition involving expansion of the crystallographic unit cell, the preservation of the urethane hydrogen bonding and possibly some relief of mechanical strain upon heating. Insights into thermochromism obtained from studies of nonthermochromic forms of PDA-ETCD are discussed. Some of the bulk characterization experiments reported In the literature are repeated. The motivation to investigate the surface morphology of the PDA single crystals using AFM was derived from Raman spectroscopy studies of various PDAs in which dispersion of the Raman spectrum indicating surface heterogeneity was observed. Micron scale as well as molecularly resolved images were obtained The micron scale images indicated a variable surface of the crystals. The molecularly resolved images showed a well defined 2-D lattice and are interpreted in terms of known crystallographic data. The surface parameters obtained from AFM measurements are similar to those determined from X-ray diffraction. During an attempt of AFM imaging of IPUDO crystals exposed to 254 nm ultraviolet light, it was observed that these crystals undergo a "macroscopic shattering". In the interest of rigorously defining conditions for photochromism, this research has undertaken a combined study of the surface morphology of the above mentioned PDA crystals by AFM and the

Soft electronic structure modulation of surface (thin-film) and bulk (ceramics) morphologies of TiO{sub 2}-host by Pb-implantation: XPS-and-DFT characterization

Energy Technology Data Exchange (ETDEWEB)

Zatsepin, D.A. [M.N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, 620990 Yekaterinburg (Russian Federation); Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation); Boukhvalov, D.W., E-mail: danil@hanyang.ac.kr [Department of Chemistry, Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul 133-791 (Korea, Republic of); Theoretical Physics and Applied Mathematics Department, Ural Federal University, Mira Street 19, 620002 Yekaterinburg (Russian Federation); Gavrilov, N.V. [Institute of Electrophysics, Russian Academy of Sciences, Ural Branch, 620990 Yekaterinburg (Russian Federation); Zatsepin, A.F. [Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation); Shur, V.Ya.; Esin, A.A. [Institute of Natural Sciences, Ural Federal University, 51 Lenin Ave, 620000 Yekaterinburg (Russian Federation); Kim, S.S. [School of Materials Science and Engineering, Inha University, Incheon 402-751 (Korea, Republic of); Kurmaev, E.Z. [M.N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, 620990 Yekaterinburg (Russian Federation); Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation)

2017-04-01

Highlights: • Experiment and theory demonstrate significant difference between patterns of Pb-ion implantation in TiO{sub 2}. • In bulk TiO{sub 2} Pb-impurities leads formation of PbO phase. • On the surface of TiO{sub 2}:Pb occur formation of PbxOy configurations. • In both bulk and surface TiO{sub 2}:Pb occur decreasing of the bandgap by shift of valence band about 1 eV up. - Abstract: The results of combined experimental and theoretical study of substitutional and clustering effects in the structure of Pb-doped TiO{sub 2}-hosts (bulk ceramics and thin-film morphologies) are presented. Pb-doping of the bulk and thin-film titanium dioxide was made with the help of pulsed ion-implantation without posterior tempering (Electronic Structure Modulation Mode). The X-ray photoelectron spectroscopy (XPS) qualification of core-levels and valence bands and Density-Functional Theory (DFT) calculations were employed in order to study the yielded electronic structure of Pb-ion modulated TiO{sub 2} host-matrices. The combined XPS-and-DFT analysis has agreed definitely with the scenario of the implantation stimulated appearance of PbO-like structures in the bulk morphology of TiO{sub 2}:Pb, whereas in thin-film morphology the PbO{sub 2}-like structure becomes dominating, essentially contributing weak O/Pb bonding (Pb{sub x}O{sub y} defect clusters). The crucial role of the oxygen hollow-type vacancies for the process of Pb-impurity “insertion” into the structure of bulk TiO{sub 2} was pointed out employing DFT-based theoretical background. Both experiment and theory established clearly the final electronic structure re-arrangement of the bulk and thin-film morphologies of TiO{sub 2} because of the Pb-modulated deformation and shift of the initial Valence Base-Band Width about 1 eV up.

Molecular surface mesh generation by filtering electron density map.

Science.gov (United States)

Giard, Joachim; Macq, Benoît

2010-01-01

Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van der Waals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron density map. The density map is the result of the maximum of Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface.

Molecular Surface Mesh Generation by Filtering Electron Density Map

Directory of Open Access Journals (Sweden)

Joachim Giard

2010-01-01

Full Text Available Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van der Waals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron density map. The density map is the result of the maximum of Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface.

Evolution of Mars’ Northern Polar Seasonal CO2 deposits: variations in surface brightness and bulk density

Science.gov (United States)

Mount, Christopher P.; Titus, Timothy N.

2015-01-01

Small scale variations of seasonal ice are explored at different geomorphic units on the Northern Polar Seasonal Cap (NPSC). We use seasonal rock shadow measurements, combined with visible and thermal observations, to calculate density over time. The coupling of volume density and albedo allows us to determine the microphysical state of the seasonal CO2 ice. We find two distinct endmembers across the NPSC: 1) Snow deposits may anneal to form an overlying slab layer that fractures. These low density deposits maintain relatively constant densities over springtime. 2) Porous slab deposits likely anneal rapidly in early spring and fracture in late spring. These high density deposits dramatically increase in density over time. The endmembers appear to be correlated with latitude.

RZP 202 - a modular system for surface density measurement

International Nuclear Information System (INIS)

Severa, L.; Merinsky, J.

The sensing element is an ionization chamber of the type that has maximum sensitivity to beta radiation of the used radionuclide ( 147 Pm, 85 Kr, 90 Sr- 90 Y) or to gamma radiation of radionuclide 241 Am. Collimation shields were developed for the said sources. Measurement of the ionization currents is made with an electrometer with a vibration capacitor. Invariable configuration is secured by a measuring arm. The modular units are of the CAMAC system design. The surface density meters measure deviations from the rated surface density. The scale for inputting surface density is linear. The configuration, functional continuity of the individual parts and the possibility of variant designs of surface density meters are described and the technical parameters of RZP 202 and its configuration and design are given

Experimental study on the surface characteristics of Pd-based bulk metallic glass

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xiang; Sun, Bingli [School of Mechanics and Engineering Science, Zhengzhou University, Zhengzhou 450001 (China); National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China); Zhao, Na [National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China); National Engineering Research Center for Advanced Polymer Processing Technology, Zhengzhou University, Zhengzhou 450002 (China); Li, Qian, E-mail: qianli@zzu.edu.cn [School of Mechanics and Engineering Science, Zhengzhou University, Zhengzhou 450001 (China); National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China); National Engineering Research Center for Advanced Polymer Processing Technology, Zhengzhou University, Zhengzhou 450002 (China); Hou, Jianhua; Feng, Weina [School of Mechanics and Engineering Science, Zhengzhou University, Zhengzhou 450001 (China); National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China)

2014-12-01

Highlights: • Wetting behavior of four polymer melts on Pd-based bulk metallic glass was investigated. • From results, in general, the contact angle of polymer on Pd-based BMG decreases with temperature increasing. • We find a critical temperature for each polymer, above this temperature, contact angle on Pd-based BMG does not decrease with temperature increasing. • Surface free energy of Pd-based BMG was estimated by Owens–Wendt method. - Abstract: The metallic glass has many unique and desirable physical and chemical characteristics for their long-range disordered atomic structure, among them the interfacial properties of the metallic glasses are crucial for their applications and manufacturing. In this work, the contact wetting angles between the polymer melts and Pd{sub 40}Cu{sub 30}Ni{sub 10}P{sub 20} bulk metallic glass (Pd-BMG) with four kinds of roughness were analyzed. Experiments show the order of four polymers wettability on Pd-BMG was PP > HDPE > COC > PC. The surface free energy of Pd-BMG was estimated by Owens–Wendt method using the contact angles of three testing liquids. Neumann method was also used to further evidence the surface free energy of Pd-BMG comparing with PTFE, mold steels NAK80 and LKM2343ESR. The results provide theoretical and technical supports for the fabrication of metallic glass micro mold and the parameter optimization of polymer micro injection molding.

Development of a novel once-through flow visualization technique for kinetic study of bulk and surface scaling

Science.gov (United States)

Sanni, O.; Bukuaghangin, O.; Huggan, M.; Kapur, N.; Charpentier, T.; Neville, A.

2017-10-01

There is a considerable interest to investigate surface crystallization in order to have a full mechanistic understanding of how layers of sparingly soluble salts (scale) build on component surfaces. Despite much recent attention, a suitable methodology to improve on the understanding of the precipitation/deposition systems to enable the construction of an accurate surface deposition kinetic model is still needed. In this work, an experimental flow rig and associated methodology to study mineral scale deposition is developed. The once-through flow rig allows us to follow mineral scale precipitation and surface deposition in situ and in real time. The rig enables us to assess the effects of various parameters such as brine chemistry and scaling indices, temperature, flow rates, and scale inhibitor concentrations on scaling kinetics. Calcium carbonate (CaCO3) scaling at different values of the saturation ratio (SR) is evaluated using image analysis procedures that enable the assessment of surface coverage, nucleation, and growth of the particles with time. The result for turbidity values measured in the flow cell is zero for all the SR considered. The residence time from the mixing point to the sample is shorter than the induction time for bulk precipitation; therefore, there are no crystals in the bulk solution as the flow passes through the sample. The study shows that surface scaling is not always a result of pre-precipitated crystals in the bulk solution. The technique enables both precipitation and surface deposition of scale to be decoupled and for the surface deposition process to be studied in real time and assessed under constant condition.

Gamma-ray attenuation to measure water contents and/or bulk densities of porous materials

International Nuclear Information System (INIS)

Ferraz, E.S.B.

1983-01-01

Attenuation of gamma radiation during transmission through soil and porous materials has been used for approximately three decades as a method for determining volumetric water content, theta, and bulk density, rho. This method is particularly suited for laboratory determinations of theta and rho in soil columns but it also has been used with success under field conditions. Measurements of attentuation of a collimated beam of monoernergetic gamma-rays has been used successfully by many investigators to provide rapid, non-destructive determinations for small volumes of soil. For stable soils, i.e. soils which do not swell upon wetting or shrink upon drying, rho may be assumed to remain constant during water flow through the soil, and thus changes in intensity or transmitted radiation may be attributed to changes in water content, theta. However, for unstable soils, the dry bulk density is subject to change with time during water flow through the soil and cannot be assumed to be a constant. Several investigators have utilized either a single beam of dual-energy gamma photons or two separate monoenergetic photon beams with greatly different energies to simultaneously determine theta and rho in these soils. A general review of gamma-ray attenuation methods for determining theta and rho in laboratory soil cores and in field soil profiles is reported in this paper. Theoretical equations for transmission and attenuation of gamma radiation in soils are presented for both single and double beams of gamma photons. Sensitivity, precision, accuracy, and experimental errors for the method are evaluated and discussed with respect to the theory. (author)

Bulk and surface states carried supercurrent in ballistic Nb-Dirac semimetal Cd3As2 nanowire-Nb junctions

NARCIS (Netherlands)

Li, Cai Zhen; Li, Chuan; Wang, Li Xian; Wang, Shuo; Liao, Zhi Min; Brinkman, Alexander; Yu, Da Peng

2018-01-01

A three-dimensional Dirac semimetal has bulk Dirac cones in all three momentum directions and Fermi arc like surface states, and can be converted into a Weyl semimetal by breaking time-reversal symmetry. However, the highly conductive bulk state usually hides the electronic transport from the

Photoelectron spectroscopy bulk and surface electronic structures

CERN Document Server

Suga, Shigemasa

2014-01-01

Photoelectron spectroscopy is now becoming more and more required to investigate electronic structures of various solid materials in the bulk, on surfaces as well as at buried interfaces. The energy resolution was much improved in the last decade down to 1 meV in the low photon energy region. Now this technique is available from a few eV up to 10 keV by use of lasers, electron cyclotron resonance lamps in addition to synchrotron radiation and X-ray tubes. High resolution angle resolved photoelectron spectroscopy (ARPES) is now widely applied to band mapping of materials. It attracts a wide attention from both fundamental science and material engineering. Studies of the dynamics of excited states are feasible by time of flight spectroscopy with fully utilizing the pulse structures of synchrotron radiation as well as lasers including the free electron lasers (FEL). Spin resolved studies also made dramatic progress by using higher efficiency spin detectors and two dimensional spin detectors. Polarization depend...

Does low surface brightness mean low density?

NARCIS (Netherlands)

deBlok, WJG; McGaugh, SS

1996-01-01

We compare the dynamical properties of two galaxies at identical positions on the Tully-Fisher relation, but with different surface brightnesses. We find that the low surface brightness galaxy UGC 128 has a higher mass-to-light ratio, and yet has lower mass densities than the high surface brightness

Bulk chirality effect for symmetric bistable switching of liquid crystals on topologically self-patterned degenerate anchoring surface.

Science.gov (United States)

Park, Min-Kyu; Joo, Kyung-Il; Kim, Hak-Rin

2017-06-26

We demonstrate a bistable switching liquid crystal (LC) mode utilizing a topologically self-structured dual-groove surface for degenerated easy axes of LC anchoring. In our study, the effect of the bulk elastic distortion of the LC directors on the bistable anchoring surface is theoretically analyzed for balanced bistable states based on a free energy diagram. By adjusting bulk LC chirality, we developed ideally symmetric and stable bistable anchoring and switching properties, which can be driven by a low in-plane pulsed field of about 0.7 V/µm. The fabricated device has a contrast ratio of 196:1.

A density functional study on properties of a Cu{sub 3}Zn material and CO adsorption onto its surfaces

Energy Technology Data Exchange (ETDEWEB)

Tang, Qian-Lin, E-mail: qltang@xidian.edu.cn [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi’an, Shaanxi 710071 (China); Duan, Xiao-Xuan; Liu, Bei; Wei, An-Qing; Liu, Sheng-Long [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi’an, Shaanxi 710071 (China); Wang, Qi, E-mail: qwang@mail.xidian.edu.cn [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi’an, Shaanxi 710071 (China); Liang, Yan-Ping, E-mail: ypliang@mail.xidian.edu.cn [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi’an, Shaanxi 710071 (China); Ma, Xiao-Hua [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi’an, Shaanxi 710071 (China); State Key Discipline Laboratory of Wide Bandgap Semiconductor Technology, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi’an, Shaanxi 710071 (China)

2016-02-15

Graphical abstract: Periodic first-principles calculations have been utilized to evaluate the bulk and surface properties of a Cu{sub 3}Zn alloy. - Highlights: • The bulk and surface properties of a DO{sub 23}-Cu{sub 3}Zn alloy were studied with DFT-GGA. • The stability of Cu{sub 3}Zn surfaces correlates with the coordination of surface atoms. • Both the (1 1 4) and (2 1 4) facets are most likely observed in Cu{sub 3}Zn alloy particles. • Covalent bonding influences overwhelmingly the adsorption between CO and Cu{sub 3}Zn. - Abstract: Prior experimental and theoretical efforts have provided strong evidence that the formation of α-brass such as Cu{sub 3}Zn alloys in Cu/ZnO/Al{sub 2}O{sub 3} CO{sub 2}/CO hydrogenation catalysts enhances dramatically the catalytic activity toward methanol synthesis. In this work, a density functional theory (DFT) slab model has been adopted to get information concerning the bulk and surface properties of DO{sub 23}-like Cu{sub 3}Zn and to explore CO molecular adsorption, which will help pave the way to future rationalization of the impact of surface alloying on Cu/ZnO-based catalysis for CO{sub 2} and CO hydrogenations. Our calculations imply that the bulk modulus and cohesive energy of the binary solid solution lie between the corresponding ones for the individual components, but only the former quantity equals its composition weighted average. From the DFT-computed surface energies, the stability of Cu{sub 3}Zn surfaces was predicted to be reinforced in the sequence (1 1 0) < (1 0 1) < (1 1 1) < (1 0 0) = (0 0 1) < (2 1 4) < (1 1 4), which can be interpreted as sensitive to the density change of surface dangling bonds. The downward shifts in the C–O stretch frequency measured experimentally over methanol synthesis catalysts at successively elevated reduction temperatures were correctly reproduced by the present simulation for the adsorption of CO to take place at Cu{sub 3}Zn(1 1 4), Cu{sub 3}Zn(2 1 4) and, as a reference

Surface and bulk polaritons in a PML-type magnetoelectric multiferroic with canted spins: TE and TM polarization

Energy Technology Data Exchange (ETDEWEB)

Gunawan, V; Stamps, R L, E-mail: slamev01@student.uwa.edu.au [School of Physics M013, University of Western Australia, 35 Stirling Highway, Crawley, Western Australia 6009 (Australia)

2011-03-16

We present a theory for surface polaritons on ferroelectric-antiferromagnetic materials with canted spin structure. A small uniform canted moment is allowed, resulting in a weak ferromagnetism directed in the plane parallel to the surface. Surface and bulk polariton modes for a semi-infinite film are calculated for the case of transverse electric (TE) and transverse magnetic (TM) polarization. Example results are presented using parameters appropriate for BaMnF{sub 4}. We find that the surface modes are non-reciprocal for the TE polarization due to the magnetoelectric interaction, and the non-reciprocity can be controlled by an applied electric field. Example results for attenuated total reflection (ATR) are calculated. The magnetoelectric interaction also gives rise to 'leaky' surface modes in the case of TM polarization. These are pseudo-surface waves that exist in the pass band, and dissipate energy into the bulk of the material. We show that these pseudo-surface mode frequencies and properties can be modified by temperature and the application of external electric or magnetic fields.

Gd-123 bulk field pole magnets cooled with condensed neon for axial-gap type synchronous motor

International Nuclear Information System (INIS)

Sano, T.; Kimura, Y.; Sugyo, D.; Yamaguchi, K.; Izumi, M.; Ida, T.; Sugimoto, H.; Miki, M.

2008-01-01

We have conducted to develop an axial-gap type synchronous propulsion motor with Gd-bulk HTS field pole magnets. It has been established on the fundamental technology upon the liquid nitrogen cooling. In the present study, we aimed an output improvement of the motor by the magnetic flux density enhancement of the bulk HTS, in a word, the trapped magnetic flux density on the HTS bulk. The output of the motor depends on the physics of the motor, the magnetic flux density, and the electric current density flowing through the armature. We have employed a condensed neon with a helium GM refrigerator. The bulk HTS placed on the rotor disk inside the motor frame was successfully cooled down with circulating condensed neon. The temperature at the bulk HTS surface reached 38 K. Upon magnetization, we developed controlled magnetic field density distribution coil (CMDC) composed of a couple of pulsed copper armature coil. In the magnetization procedure, with decreasing magnetization temperature, minute by minute, after Sander and Kamijyo that the step cooling magnetization method was used. In addition, the CMDC coil has enabled to control the applied flux distribution. Three parameters as the temperature, the applied magnetic field, and the effective applied flux density distribution were changed within eight times pulsed magnetizations in total. Up to 4th pulsed magnetization, we kept (1st step) high temperature, and subsequent pulsed magnetizations were done at low temperature. As a result, the highest maximum trapped magnetic flux density was reached 1.31 T, about 2.5 times compared to the value obtained upon cooling with liquid nitrogen. Consequently, the output of the motor has been enhanced to 25 kW from 10 kW taken in the previous operation

Exact probability function for bulk density and current in the asymmetric exclusion process

Science.gov (United States)

Depken, Martin; Stinchcombe, Robin

2005-03-01

We examine the asymmetric simple exclusion process with open boundaries, a paradigm of driven diffusive systems, having a nonequilibrium steady-state transition. We provide a full derivation and expanded discussion and digression on results previously reported briefly in M. Depken and R. Stinchcombe, Phys. Rev. Lett. 93, 040602 (2004). In particular we derive an exact form for the joint probability function for the bulk density and current, both for finite systems, and also in the thermodynamic limit. The resulting distribution is non-Gaussian, and while the fluctuations in the current are continuous at the continuous phase transitions, the density fluctuations are discontinuous. The derivations are done by using the standard operator algebraic techniques and by introducing a modified version of the original operator algebra. As a by-product of these considerations we also arrive at a very simple way of calculating the normalization constant appearing in the standard treatment with the operator algebra. Like the partition function in equilibrium systems, this normalization constant is shown to completely characterize the fluctuations, albeit in a very different manner.

Kinetics of conformational changes of fibronectin adsorbed onto model surfaces.

Science.gov (United States)

Baujard-Lamotte, L; Noinville, S; Goubard, F; Marque, P; Pauthe, E

2008-05-01

Fibronectin (FN), a large glycoprotein found in body fluids and in the extracellular matrix, plays a key role in numerous cellular behaviours. We investigate FN adsorption onto hydrophilic bare silica and hydrophobic polystyrene (PS) surfaces using Fourier transform infrared spectroscopy-attenuated total reflection (FTIR-ATR) in aqueous medium. Adsorption kinetics using different bulk concentrations of FN were followed for 2h and the surface density of adsorbed FN and its time-dependent conformational changes were determined. When adsorption occurs onto the hydrophilic surface, FN molecules keep their native conformation independent of the adsorption conditions, but the amount of adsorbed FN increases with time and the bulk concentration. Although the protein surface density is the same on the hydrophobic PS surface, this has a strong impact on the average conformation of the adsorbed FN layer. Indeed, interfacial hydration changes induced by adsorption onto the hydrophobic surface lead to a decrease in unhydrated beta-sheet content and cause an increase in hydrated beta-strand and hydrated random domain content of adsorbed FN. This conformational change is mainly dependent on the bulk concentration. Indeed, at low bulk concentrations, the secondary structures of adsorbed FN molecules undergo strong unfolding, allowing an extended and hydrated conformation of the protein. At high bulk concentrations, the molecular packing reduces the unfolding of the stereoregular structures of the FN molecules, preventing stronger spreading of the protein.

The effect of inter-granular constraints on the response of polycrystalline piezoelectric ceramics at the surface and in the bulk

Science.gov (United States)

Hossain, Mohammad J.; Wang, Zhiyang; Khansur, Neamul H.; Kimpton, Justin A.; Oddershede, Jette; Daniels, John E.

2016-08-01

The electro-mechanical coupling mechanisms in polycrystalline ferroelectric materials, including a soft PbZrxTi1-xO3 (PZT) and lead-free 0.9375(Bi1/2Na1/2)TiO3-0.0625BaTiO3 (BNT-6.25BT), have been studied using a surface sensitive low-energy (12.4 keV) and bulk sensitive high-energy (73 keV) synchrotron X-ray diffraction with in situ electric fields. The results show that for tetragonal PZT at a maximum electric field of 2.8 kV/mm, the electric-field-induced lattice strain (ɛ111) is 20% higher at the surface than in the bulk, and non-180° ferroelectric domain texture (as indicated by the intensity ratio I002/I200) is 16% higher at the surface. In the case of BNT-6.25BT, which is pseudo-cubic up to fields of 2 kV/mm, lattice strains, ɛ111 and ɛ200, are 15% and 20% higher at the surface, while in the mixed tetragonal and rhombohedral phases at 5 kV/mm, the domain texture indicated by the intensity ratio, I 111 / I 11 1 ¯ and I002/I200, are 12% and 10% higher at the surface than in the bulk, respectively. The observed difference in the strain contributions between the surface and bulk is suggested to result from the fact that surface grains are not constrained in three dimensions, and consequently, domain reorientation and lattice expansion in surface grains are promoted. It is suggested that the magnitude of property difference between the surface and bulk is higher for the PZT than for BNT-6.25BT due to the level of anisotropy in the strain mechanism. The comparison of the results from different methods demonstrates that the intergranular constraints have a significant influence on the electric-field-induced electro-mechanical responses in polycrystalline ferroelectrics. These results have implications for the design of higher performance polycrystalline piezoelectrics.

The Rashba-split surface state of Sb{sub 2}Te{sub 3}(0 0 0 1) and its interaction with bulk states

Energy Technology Data Exchange (ETDEWEB)

Seibel, Christoph; Maaß, Henriette [Experimentelle Physik VII and Röntgen Research Center for Complex Materials (RCCM), Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Bentmann, Hendrik, E-mail: Hendrik.Bentmann@physik.uni-wuerzburg.de [Experimentelle Physik VII and Röntgen Research Center for Complex Materials (RCCM), Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Braun, Jürgen [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); Sakamoto, Kazuyuki [Department of Nanomaterials Science, Chiba University, Chiba 263-8522 (Japan); Arita, Masashi; Shimada, Kenya [Hiroshima Synchrotron Radiation Center, Hiroshima University, Kagamiyama 2-313, Higashi-Hiroshima 739-0046 (Japan); Minár, Jan [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Ebert, Hubert [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); and others

2015-05-15

Highlights: • We investigate a spin–orbit split surface state on the Sb{sub 2}Te{sub 3}(0 0 0 1) surface. • The spin-splitting and dispersion follow the Rashba model at small wave vectors. • At higher wave vectors the spin-splitting shows an unsual non-monotonic evolution. • The spin-polarized surface bands connect with different bulk bands at the gap edge. - Abstract: The electronic structure of the Sb{sub 2}Te{sub 3}(0 0 0 1) surface exhibits a spin–orbit split surface state in a local energy gap of the projected bulk valence band continuum. We investigate this surface state by high-resolution angle-resolved photoemission spectroscopy (ARPES), spin-resolved ARPES and relativistic one-step photoemission calculations. At low wave vectors the dispersion and spin splitting are well-captured by the predictions of the Rashba model for a two-dimensional electron system. With increasing wave vectors, however, the surface state dispersion becomes more complex and the spin splitting size exhibits an unusual non-monotonic evolution. These deviations from the Rashba model arise from the influence of bulk continuum states near the edge of the projected gap. The spin polarization of the surface state remains intact despite the coupling to bulk states.

Efficacy of surface error corrections to density functional theory calculations of vacancy formation energy in transition metals.

Science.gov (United States)

Nandi, Prithwish Kumar; Valsakumar, M C; Chandra, Sharat; Sahu, H K; Sundar, C S

2010-09-01

We calculate properties like equilibrium lattice parameter, bulk modulus and monovacancy formation energy for nickel (Ni), iron (Fe) and chromium (Cr) using Kohn-Sham density functional theory (DFT). We compare the relative performance of local density approximation (LDA) and generalized gradient approximation (GGA) for predicting such physical properties for these metals. We also make a relative study between two different flavors of GGA exchange correlation functional, namely PW91 and PBE. These calculations show that there is a discrepancy between DFT calculations and experimental data. In order to understand this discrepancy in the calculation of vacancy formation energy, we introduce a correction for the surface intrinsic error corresponding to an exchange correlation functional using the scheme implemented by Mattsson et al (2006 Phys. Rev. B 73 195123) and compare the effectiveness of the correction scheme for Al and the 3d transition metals.

Laser generation of nanostructures on the surface and in the bulk of solids

International Nuclear Information System (INIS)

Bityurin, N M

2010-01-01

This paper considers nanostructuring of solid surfaces by nano-optical techniques, primarily by laser particle nanolithography. Threshold processes are examined that can be used for laser structuring of solid surfaces, with particular attention to laser swelling of materials. Fundamental spatial resolution issues in three-dimensional (3D) laser nanostructuring are analysed with application to laser nanopolymerisation and 3D optical information recording. The formation of nanostructures in the bulk of solids due to their structural instability under irradiation is exemplified by photoinduced formation of nanocomposites. (photonics and nanotechnology)

High-Resolution Faraday Rotation and Electron-Phonon Coupling in Surface States of the Bulk-Insulating Topological Insulator Cu_{0.02}Bi_{2}Se_{3}.

Science.gov (United States)

Wu, Liang; Tse, Wang-Kong; Brahlek, M; Morris, C M; Aguilar, R Valdés; Koirala, N; Oh, S; Armitage, N P

2015-11-20

We have utilized time-domain magnetoterahertz spectroscopy to investigate the low-frequency optical response of the topological insulator Cu_{0.02}Bi_{2}Se_{3} and Bi_{2}Se_{3} films. With both field and frequency dependence, such experiments give sufficient information to measure the mobility and carrier density of multiple conduction channels simultaneously. We observe sharp cyclotron resonances (CRs) in both materials. The small amount of Cu incorporated into the Cu_{0.02}Bi_{2}Se_{3} induces a true bulk insulator with only a single type of conduction with a total sheet carrier density of ~4.9×10^{12}/cm^{2} and mobility as high as 4000 cm^{2}/V·s. This is consistent with conduction from two virtually identical topological surface states (TSSs) on the top and bottom of the film with a chemical potential ~145 meV above the Dirac point and in the bulk gap. The CR broadens at high fields, an effect that we attribute to an electron-phonon interaction. This assignment is supported by an extended Drude model analysis of the zero-field Drude conductance. In contrast, in normal Bi_{2}Se_{3} films, two conduction channels were observed, and we developed a self-consistent analysis method to distinguish the dominant TSSs and coexisting trivial bulk or two-dimensional electron gas states. Our high-resolution Faraday rotation spectroscopy on Cu_{0.02}Bi_{2}Se_{3} paves the way for the observation of quantized Faraday rotation under experimentally achievable conditions to push the chemical potential in the lowest Landau level.

Dissociative electron attachment on surfaces and in bulk media

International Nuclear Information System (INIS)

Fabrikant, Ilya I.

2007-01-01

A theory of dissociative electron attachment to molecules condensed at surfaces and embedded within bulk media is developed. The theory of low-energy electron diffraction is used to obtain the width for electron-molecule resonance scattering in the condensed phase from the width for the gas phase. It is then employed for the calculation of dissociative attachment in the framework of the nonlocal complex potential theory. Specific calculations using the effective mass approximation are carried out for electron attachment to CH 3 Cl and CF 3 Cl molecules physisorbed on the surface of a Kr film. The role of image states and image-potential resonances is analyzed. The results show an increase by several orders of magnitude in the cross section for physisorbed molecules as compared with gas-phase molecules. This is in general agreement with the measured cross sections. However, the position of the peak in the cross section for CH 3 Cl is significantly shifted towards higher energies as compared to experiment [K. Nagesha et al., J. Chem. Phys. 114, 4934 (2001)], and the magnitude of the calculated cross section for CF 3 Cl at the surface is significantly higher than the measured value. Possible reasons for disagreements are analyzed

Molecular dynamics simulation of self-diffusion processes in titanium in bulk material, on grain junctions and on surface.

Science.gov (United States)

Sushko, Gennady B; Verkhovtsev, Alexey V; Yakubovich, Alexander V; Schramm, Stefan; Solov'yov, Andrey V

2014-08-21

The process of self-diffusion of titanium atoms in a bulk material, on grain junctions and on surface is explored numerically in a broad temperature range by means of classical molecular dynamics simulation. The analysis is carried out for a nanoscale cylindrical sample consisting of three adjacent sectors and various junctions between nanocrystals. The calculated diffusion coefficient varies by several orders of magnitude for different regions of the sample. The calculated values of the bulk diffusion coefficient correspond reasonably well to the experimental data obtained for solid and molten states of titanium. Investigation of diffusion in the nanocrystalline titanium is of a significant importance because of its numerous technological applications. This paper aims to reduce the lack of data on diffusion in titanium and describe the processes occurring in bulk, at different interfaces and on surface of the crystalline titanium.

A finite-density calculation of the surface tension of isotropic-nematic interfaces

International Nuclear Information System (INIS)

Moore, B.G.; McMullen, W.E.

1992-01-01

The surface tension of the isotropic-nematic interface in a fluid of intermediate-sized hard particles is studied and calculated. The transition from isotropic to nematic is fixed to occur in a continuous fashion by varying the biaxiality of the model particles. A reversal in the preferred orientation of the bulk nematic relative to the isotropic-nematic interface suggests an oblique orientation of the bulk nematic. 32 refs., 8 figs

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

Science.gov (United States)

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.

Multilayered nanoclusters of platinum and gold: insights on electrodeposition pathways, electrocatalysis, surface and bulk compositional properties

CSIR Research Space (South Africa)

Mkwizu, TS

2013-06-01

Full Text Available Electrochemical, surface and bulk compositional properties of multilayered nanoclusters of Pt and Au, electrochemically deposited on glassy carbon under conditions involving sequential surface–limited redox–replacement reactions (performed at open...

Electronic structure of the chromium dioxide (001) surface

NARCIS (Netherlands)

Leuken, H. van; Groot, R.A. de

1995-01-01

Local-density calculations on the CrO2 (001) surface are reported. The half-metallic character of the bulk is found to be maintained at the surface. Surface states of oxygen p character at the top of the valence band for the semiconducting spin direction are discussed.

Gamma-ray yield dependence on bulk density and moisture content of a sample of a PGNAA setup. A Monte Carlo study

International Nuclear Information System (INIS)

Nagadi, M.M.; Naqvi, A.A.

2007-01-01

Monte Carlo calculations were carried out to study the dependence of γ-ray yield on the bulk density and moisture content of a sample in a thermalneutron capture-based prompt gamma neutron activation analysis (PGNAA) setup. The results of the study showed a strong dependence of the γ-ray yield upon the sample bulk density. An order of magnitude increase in yield of 1.94 and 6.42 MeV prompt γ-rays from calcium in a Portland cement sample was observed for a corresponding order of magnitude increase in the sample bulk density. On the contrary the γ-ray yield has a weak dependence on sample moisture content and an increase of only 20% in yield of 1.94 and 6.42 MeV prompt γ-rays from calcium in the Portland cement sample was observed for an order of magnitude increase in the moisture content of the Portland cement sample. A similar effect of moisture content has been observed on the yield of 1.167 MeV prompt γ-rays from chlorine contaminants in Portland cement samples. For an order of magnitude increase in the moisture content of the sample, a 7 to 12% increase in the yield of the 1.167 MeV chlorine γ-ray was observed for the Portland cement samples containing 1 to 5 wt.% chlorine contaminants. This study has shown that effects of sample moisture content on prompt γ-ray yield from constituents of a Portland cement sample are insignificant in a thermal-neutrons capture-based PGNAA setup. (author)

Density functional theory study of inter-layer coupling in bulk tin selenide

Science.gov (United States)

Song, Hong-Yue; Lü, Jing-Tao

2018-03-01

We study the inter-layer coupling in bulk tin selenide (SnSe) through density functional theory based calculations. Different approximations for the exchange-correlation functionals and the van der Waals interaction are employed. By performing comparison with graphite, MoS2 and black phosphorus, we analyze the inter-layer coupling from different points of view, including the binding energy, the low frequency inter-layer optical phonons, and the inter-layer charge transfer. We find that, there is a strong charge transfer between layers of SnSe, resulting in the strongest inter-layer coupling. Moreover, the charge transfer renders the inter-layer coupling in SnSe not of van der Waals type. Mechanical exfoliation has been used to fabricate mono- or few-layer graphene, MoS2 and black phosphorus. But, our results show that it may be difficult to apply similar technique to SnSe.

Analyses and Comparison of Bulk and Coil Surface Samples from the DWPF Slurry Mix Evaporator

International Nuclear Information System (INIS)

Hay, M.; Nash, C.; Stone, M.

2012-01-01

Sludge samples from the DWPF Slurry Mix Evaporator (SME) heating coil frame and coil surface were characterized to identify differences that might help identify heat transfer fouling materials. The SME steam coils have seen increased fouling leading to lower boil-up rates. Samples of the sludge were taken from the coil frame somewhat distant from the coil (bulk tank material) and from the coil surface (coil surface sample). The results of the analysis indicate the composition of the two SME samples are very similar with the exception that the coil surface sample shows ∼5-10X higher mercury concentration than the bulk tank sample. Elemental analyses and x-ray diffraction results did not indicate notable differences between the two samples. The ICP-MS and Cs-137 data indicate no significant differences in the radionuclide composition of the two SME samples. Semi-volatile organic analysis revealed numerous organic molecules, these likely result from antifoaming additives. The compositions of the two SME samples also match well with the analyzed composition of the SME batch with the exception of significantly higher silicon, lithium, and boron content in the batch sample indicating the coil samples are deficient in frit relative to the SME batch composition.

Surface Snow Density of East Antarctica Derived from In-Situ Observations

Science.gov (United States)

Tian, Y.; Zhang, S.; Du, W.; Chen, J.; Xie, H.; Tong, X.; Li, R.

2018-04-01

Models based on physical principles or semi-empirical parameterizations have used to compute the firn density, which is essential for the study of surface processes in the Antarctic ice sheet. However, parameterization of surface snow density is often challenged by the description of detailed local characterization. In this study we propose to generate a surface density map for East Antarctica from all the filed observations that are available. Considering that the observations are non-uniformly distributed around East Antarctica, obtained by different methods, and temporally inhomogeneous, the field observations are used to establish an initial density map with a grid size of 30 × 30 km2 in which the observations are averaged at a temporal scale of five years. We then construct an observation matrix with its columns as the map grids and rows as the temporal scale. If a site has an unknown density value for a period, we will set it to 0 in the matrix. In order to construct the main spatial and temple information of surface snow density matrix we adopt Empirical Orthogonal Function (EOF) method to decompose the observation matrix and only take first several lower-order modes, because these modes already contain most information of the observation matrix. However, there are a lot of zeros in the matrix and we solve it by using matrix completion algorithm, and then we derive the time series of surface snow density at each observation site. Finally, we can obtain the surface snow density by multiplying the modes interpolated by kriging with the corresponding amplitude of the modes. Comparative analysis have done between our surface snow density map and model results. The above details will be introduced in the paper.

Influence of the side chain and substrate on polythiophene thin film surface, bulk, and buried interfacial structures.

Science.gov (United States)

Xiao, Minyu; Jasensky, Joshua; Zhang, Xiaoxian; Li, Yaoxin; Pichan, Cayla; Lu, Xiaolin; Chen, Zhan

2016-08-10

The molecular structures of organic semiconducting thin films mediate the performance of various devices composed of such materials. To fully understand how the structures of organic semiconductors alter on substrates due to different polymer side chains and different interfacial interactions, thin films of two kinds of polythiophene derivatives with different side-chains, poly(3-hexylthiophene) (P3HT) and poly(3-potassium-6-hexanoate thiophene) (P3KHT), were deposited and compared on various surfaces. A combination of analytical tools was applied in this research: contact angle goniometry and X-ray photoelectron spectroscopy (XPS) were used to characterize substrate dielectric surfaces with varied hydrophobicity for polymer film deposition; X-ray diffraction and UV-vis spectroscopy were used to examine the polythiophene film bulk structure; sum frequency generation (SFG) vibrational spectroscopy was utilized to probe the molecular structures of polymer film surfaces in air and buried solid/solid interfaces. Both side-chain hydrophobicity and substrate hydrophobicity were found to mediate the crystallinity of the polythiophene film, as well as the orientation of the thiophene ring within the polymer backbone at the buried polymer/substrate interface and the polymer thin film surface in air. For the same type of polythiophene film deposited on different substrates, a more hydrophobic substrate surface induced thiophene ring alignment with the surface normal at both the buried interface and on the surface in air. For different films (P3HT vs. P3KHT) deposited on the same dielectric substrate, a more hydrophobic polythiophene side chain caused the thiophene ring to align more towards the surface at the buried polymer/substrate interface and on the surface in air. We believe that the polythiophene surface, bulk, and buried interfacial molecular structures all influence the hole mobility within the polythiophene film. Successful characterization of an organic conducting

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

Science.gov (United States)

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.

Tuning the relative concentration ratio of bulk defects to surface defects in TiO2 nanocrystals leads to high photocatalytic efficiency.

Science.gov (United States)

Kong, Ming; Li, Yuanzhi; Chen, Xiong; Tian, Tingting; Fang, Pengfei; Zheng, Feng; Zhao, Xiujian

2011-10-19

TiO(2) nanocrystals with tunable bulk/surface defects were synthesized and characterized with TEM, XRD, BET, positron annihilation, and photocurrent measurements. The effect of defects on photocatalytic activity was studied. It was found for the first time that decreasing the relative concentration ratio of bulk defects to surface defects in TiO(2) nanocrystals could significantly improve the separation efficiency of photogenerated electrons and holes, thus significantly enhancing the photocatalytic efficiency.

Adsorption of trace gases to ice surfaces: surface, bulk and co-adsorbate effects

Science.gov (United States)

Kerbrat, Michael; Bartels-Rausch, Thorsten; Huthwelker, Thomas; Schneebeli, Martin; Pinzer, Bernd; Ammann, Markus

2010-05-01

Atmospheric ices frequently interact with trace gases and aerosol making them an important storage, transport or reaction medium in the global ecosystem. Further, this also alters the physical properties of the ice particles with potential consequences for the global irradiation balance and for the relative humidity of surrounding air masses. We present recent results from a set of laboratory experiments of atmospheric relevance to investigate the nature of the uptake processes. The focus of this talk will be placed on the partitioning of acidic acid and nitrous acid on ice surfaces.The presented results span from very simple reversible adsorption experiments of a single trace gas onto ice surfaces to more complex, but well controlled, experimental procedures that successfully allowed us to - Disentangle surface adsorption and uptake into the ice matrix using radioactive labelled trace gases. - Show that simultaneous adsorption of acetic acid and nitrous acid to an ice surface is consistent with the Langmuir co-adsorption model. The experiments were done in a packed ice bed flow tube at atmospheric pressure and at temperatures between 213 and 253 K. The HONO gas phase mixing ratio was between 0.4 and 137 ppbv, the mixing ratio of acetic acid between 5 and 160 ppbv . The use of the radioactive labelled nitrous acid molecules for these experiments enabled in situ monitoring of the migration of trace gas in the flow tube. The measurements showed that the interactions do not only occur through adsorption but also via diffusion into polycrystalline ice. A method is suggested to disentangle the bulk and the surface processes. The co-adsorption of acetic and nitrous acids was also investigated. The measurements are well reproduced by a competitive Langmuir adsorption model.

Effects of rational surface density on resistive g turbulence

International Nuclear Information System (INIS)

Beklemishev, A.D.; Sugama, H.; Horton, W.

1993-01-01

The Beklemishev-Horton theory states that the anomalous transport coefficient is proportional to the density of rational surfaces provided that the interaction between the modes localized around different rational surfaces is weak compared with modes of the same helicity. The authors examine the effects of the density of states ρ using resistive g turbulence in 2D (single-helicity) and 3D (multi-helicity) simulations. They find that the modes with different helicities do not equipartition the available energy, but rather the coalescence or inverse cascade effect is strong so that a few low order mode rational surfaces receive most of the energy. The quasilinear flattening at the surfaces is a strong effect and they use bifurcation theory to derive that the effective diffusivity increases as χ eff = χ 0 ρ/(1 - Cρ) where C is a constant determined by interaction integrals. For a sufficiently high density of states Cρ ≤ 1, the higher order nonlinear interaction must be taken into account

Bulk synthesis of nanocrystalline urania powders by citrate gel-combustion method

International Nuclear Information System (INIS)

Sanjay Kumar, D.; Ananthasivan, K.; Venkata Krishnan, R.; Amirthapandian, S.; Dasgupta, Arup

2016-01-01

Bulk quantities (60 g) of nanocrystalline (nc) free flowing urania powders with crystallite size ranging from 38 to 252 nm have been synthesized for the first time by the citrate gel combustion method. A systematic study of the influence of the fuel (citric acid) to oxidant (nitrate) ratio (R) on the characteristics of the urania powders has been carried out for the first time. Mixture with an “R” value of 0.25 exhibited a vigorous auto-ignition reaction. This reaction was investigated with Differential Scanning Calorimetry (DSC) and in-situ thermogravimetry coupled with differential thermal analysis and mass spectrometry (TG-DTA-MS). The bulk density, specific surface area, X-ray crystallite size, residual carbon and size distribution of particles of this powder were unique. Microscopic and microstructural investigation of selected samples revealed the presence of nanocrystals with irregular exfoliated morphology; their Electron Energy Loss Spectra testified the covalency of the U–O bond. - Highlights: • Bulk quantities of nanocrystalline urania were prepared for the first time using citrate gel combustion method. • Volume combustion was observed in mixtures with fuel to nitrate ratio (R) 0.25. • The value of R was found to significantly influence the characteristics of the final product. • Typical exfoliated microstructure and nanopores were observed. • Established correlation between particle size distribution and bulk density, X-ray crystallite size and lattice strain. • Relationship between fuel to nitrate (R) mole ratio and physical characteristics of powders were also established.

Observation of core-level binding energy shifts between (100) surface and bulk atoms of epitaxial CuInSe2

International Nuclear Information System (INIS)

Nelson, A.J.; Berry, G.; Rockett, A.

1997-01-01

Core-level and valence band photoemission from semiconductors has been shown to exhibit binding energy differences between surface atoms and bulk atoms, thus allowing one to unambiguously distinguish between the two atomic positions. Quite clearly, surface atoms experience a potential different from the bulk due to the lower coordination number - a characteristic feature of any surface is the incomplete atomic coordination. Theoretical accounts of this phenomena are well documented in the literature for III-V and II-VI semiconductors. However, surface state energies corresponding to the equilibrium geometry of (100) and (111) surfaces of Cu-based ternary chalcopyrite semiconductors have not been calculated or experimental determined. These compounds are generating great interest for optoelectronic and photovoltaic applications, and are an isoelectronic analog of the II-VI binary compound semiconductors. Surface core-level binding energy shifts depend on the surface cohesive energies, and surface cohesive energies are related to surface structure. For ternary compound semiconductor surfaces, such as CuInSe 2 , one has the possibility of variations in surface stoichiometry. Applying standard thermodynamical calculations which consider the number of individual surface atoms and their respective chemical potentials should allow one to qualitatively determine the magnitude of surface core-level shifts and, consequently, surface state energies

Current Density and Plasma Displacement Near Perturbed Rational Surface

International Nuclear Information System (INIS)

Boozer, A.H.; Pomphrey, N.

2010-01-01

The current density in the vicinity of a rational surface of a force-free magnetic field subjected to an ideal perturbation is shown to be the sum of both a smooth and a delta-function distribution, which give comparable currents. The maximum perturbation to the smooth current density is comparable to a typical equilibrium current density and the width of the layer in which the current flows is shown to be proportional to the perturbation amplitude. In the standard linearized theory, the plasma displacement has an unphysical jump across the rational surface, but the full theory gives a continuous displacement.

Influences of bulk and surface recombinations on the power conversion efficiency of perovskite solar cells

International Nuclear Information System (INIS)

Xie, Ziang; Sun, Shuren; Yan, Yu; Wang, Wei; Qin, Laixiang; Qin, G G

2016-01-01

For a novel kind of solar cell (SC) material, it is critical to estimate how far the power conversion efficiencies (PCEs) of the SCs made of it can go. In 2010 Han and Chen proposed the equation for the ultimate efficiency of SCs without considering the carrier recombination η un . η un is capable of estimating the theoretical upper limits of the SC efficiencies and has attracted much attention. However, carrier recombination, which is one of the key factors influencing the PCEs of the SCs, is ignored in the equation for η un . In this paper, we develop a novel equation to calculate the ultimate efficiency for the SCs, η ur , which considers both the bulk and the surface carrier recombinations. The novel equation for η ur can estimate how much the bulk and the surface carrier recombinations influence the PCEs of the SCs. Moreover, with η ur we can estimate how much PCE improvement space can be gained only by reducing the influence of the carrier recombination to the least. The perovskite organometal trihalide SCs have attracted tremendous attention lately. For the planar CH 3 NH 3 PbI 3 SCs, in the material depth range from 31.25–2000 nm, we apply the equation of η ur to investigate how the bulk and the surface carrier recombinations affect PCE. From a typically reported PCE of 15% for the planar CH 3 NH 3 PbI 3 SC, using the equation of η ur , it is concluded that by reducing the influence of carrier recombination to the least the improvement of PCE is in the range of 17–30%. (paper)

Wireless Sensor Node for Surface Seawater Density Measurements

Directory of Open Access Journals (Sweden)

Roberto Saletti

2012-03-01

Full Text Available An electronic meter to measure surface seawater density is presented. It is based on the measurement of the difference in displacements of a surface level probe and a weighted float, which according to Archimedes’ law depends on the density of the water. The displacements are simultaneously measured using a high-accuracy magnetostrictive sensor, to which a custom electronic board provides a wireless connection and power supply so that it can become part of a wireless sensor network. The electronics are designed so that different kinds of wireless networks can be used, by simply changing the wireless module and the relevant firmware of the microcontroller. Lastly, laboratory and at-sea tests are presented and discussed in order to highlight the functionality and the performance of a prototype of the wireless density meter node in a Bluetooth radio network. The experimental results show a good agreement of the values of the calculated density compared to reference hydrometer readings.

Wireless sensor node for surface seawater density measurements.

Science.gov (United States)

Baronti, Federico; Fantechi, Gabriele; Roncella, Roberto; Saletti, Roberto

2012-01-01

An electronic meter to measure surface seawater density is presented. It is based on the measurement of the difference in displacements of a surface level probe and a weighted float, which according to Archimedes' law depends on the density of the water. The displacements are simultaneously measured using a high-accuracy magnetostrictive sensor, to which a custom electronic board provides a wireless connection and power supply so that it can become part of a wireless sensor network. The electronics are designed so that different kinds of wireless networks can be used, by simply changing the wireless module and the relevant firmware of the microcontroller. Lastly, laboratory and at-sea tests are presented and discussed in order to highlight the functionality and the performance of a prototype of the wireless density meter node in a Bluetooth radio network. The experimental results show a good agreement of the values of the calculated density compared to reference hydrometer readings.

Properties of high-density matter in the electroweak symmetric phase

International Nuclear Information System (INIS)

Chandra, D.; Goyal, A.

1992-01-01

We examine the bulk properties of matter at high densities and finite temperatures in the phase where electroweak symmetry is exact and fermions are massless, by taking the strong interactions into account perturbatively to lowest order in the quark-gluon chromodynamic coupling constant α c . We also discuss the possibility of a phase transition of strange quark matter into this high-density matter in the electroweak symmetric phase at densities likely to be present in the core of dense neutron stars or collapsing stars. Finally, we study the properties of finite-size chunks of this matter by taking surface effects into account and give an estimate of the surface tension

Evaluation of surface energy state distribution and bulk defect concentration in DSSC photoanodes based on Sn, Fe, and Cu doped TiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Ako, Rajour Tanyi [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Ekanayake, Piyaisiri, E-mail: piyasiri.ekanayake@ubd.edu.bn [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Young, David James [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research -A*STAR, 3 Research Link, 117602 (Singapore); Faculty of Science, Health, Education and Engineering, University of the Sunshine Coast, Locked Bag 4, Maroochydore DC, Queensland, 4558 (Australia); Hobley, Jonathan [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Chellappan, Vijila [Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, 3 Research Link, 117602 (Singapore); Tan, Ai Ling [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Gorelik, Sergey; Subramanian, Gomathy Sandhya [Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, 3 Research Link, 117602 (Singapore); Lim, Chee Ming [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam)

2015-10-01

transient decay at 430 nm for Fe doped TiO{sub 2} was ascribed to an increase in surface hole concentration resulting in poor current density in the Fe doped TiO{sub 2} photoanodes relative to pure TiO{sub 2}, Sn or Cu doped anodes. The charge transfer capacitance and the calculated electron lifetimes correlated well with the trend in current density of the photoanodes (Sn > Cu > pure TiO{sub 2}). The poor performance of Fe doped cells is due to faster recombination of injected electrons with surface holes while those of Sn and Cu were more influenced by the concentration of their bulk defects. These results demonstrate that the choice of selected metal ions doping onto TiO{sub 2} for a desired application should take into consideration the influence of bulk defect concentrations, the energy state distribution and the electron transfer properties in/on the oxide photoanodes.

GAMA/H-ATLAS: THE DUST OPACITY-STELLAR MASS SURFACE DENSITY RELATION FOR SPIRAL GALAXIES

Energy Technology Data Exchange (ETDEWEB)

Grootes, M. W.; Tuffs, R. J.; Andrae, E. [Max-Planck-Institut fuer Kernphysik, Saupfercheckweg 1, D-69117 Heidelberg (Germany); Popescu, C. C.; Pastrav, B. [Jeremiah Horrocks Institute, University of Central Lancashire, Preston PR1 2HE (United Kingdom); Gunawardhana, M.; Taylor, E. N. [Sydney Institute for Astronomy, School of Physics, University of Sydney, NSW 206 (Australia); Kelvin, L. S.; Driver, S. P. [Scottish Universities' Physics Alliance (SUPA), School of Physics and Astronomy, University of St. Andrews, North Haugh, St. Andrews KY16 9SS (United Kingdom); Liske, J. [European Southern Observatory, Karl-Schwarzschild Str. 2, D-85748 Garching (Germany); Seibert, M. [Observatories of the Carnegie Institution for Science, 813 Santa Barbara Street, Pasadena, CA 91101 (United States); Graham, Alister W. [Centre for Astrophysics and Supercomputing, Swinburne University of Technology, Hawthorn, Victoria 3122 (Australia); Baes, M. [Sterrenkundig Observatorium, Universiteit Gent, Krijgslaan 281 S9, B-9000 Gent (Belgium); Baldry, I. K. [Astrophysics Research Institute, Liverpool John Moores University, Twelve Quays House, Egerton Wharf, Birkenhead CH41 1LD (United Kingdom); Bourne, N. [Centre for Astronomy and Particle Theory, The School of Physics and Astronomy, Nottingham University, University Park Campus, Nottingham NG7 2RD (United Kingdom); Brough, S. [Australian Astronomical Observatory, P.O. Box 296, Epping, NSW 1710 (Australia); Cooray, A. [Department of Physics and Astronomy, University of California, Irvine, CA 92697 (United States); Dariush, A. [Physics Department, Imperial College, Prince Consort Road, London SW7 2AZ (United Kingdom); De Zotti, G. [INAF-Osservatorio Astronomico di Padova, Vicolo Osservatorio 5, I-35122 Padova (Italy); Dunne, L., E-mail: meiert.grootes@mpi-hd.mpg.de [Department of Physics and Astronomy, University of Canterbury, Private Bag 4800, Christchurch 8140 (New Zealand); and others

2013-03-20

We report the discovery of a well-defined correlation between B-band face-on central optical depth due to dust, {tau}{sup f}{sub B}, and the stellar mass surface density, {mu}{sub *}, of nearby (z {<=} 0.13) spiral galaxies. This relation was derived from a sample of spiral galaxies taken from the Galaxy and Mass Assembly (GAMA) survey, which were detected in the FIR/submillimeter (submm) in the Herschel-ATLAS science demonstration phase field. Using a quantitative analysis of the NUV attenuation-inclination relation for complete samples of GAMA spirals categorized according to stellar mass surface density, we demonstrate that this correlation can be used to statistically correct for dust attenuation purely on the basis of optical photometry and Sersic-profile morphological fits. Considered together with previously established empirical relationships of stellar mass to metallicity and gas mass, the near linearity and high constant of proportionality of the {tau}{sub B}{sup f} - {mu}{sub *} relation disfavors a stellar origin for the bulk of refractory grains in spiral galaxies, instead being consistent with the existence of a ubiquitous and very rapid mechanism for the growth of dust in the interstellar medium. We use the {tau}{sub B}{sup f} - {mu}{sub *} relation in conjunction with the radiation transfer model for spiral galaxies of Popescu and Tuffs to derive intrinsic scaling relations between specific star formation rate (SFR), stellar mass, and stellar surface density, in which attenuation of the UV light used for the measurement of SFR is corrected on an object-to-object basis. A marked reduction in scatter in these relations is achieved which we demonstrate is due to correction of both the inclination-dependent and face-on components of attenuation. Our results are consistent with a general picture of spiral galaxies in which most of the submm emission originates from grains residing in translucent structures, exposed to UV in the diffuse interstellar

Surface tension and density of Si-Ge melts

Science.gov (United States)

Ricci, Enrica; Amore, Stefano; Giuranno, Donatella; Novakovic, Rada; Tuissi, Ausonio; Sobczak, Natalia; Nowak, Rafal; Korpala, Bartłomiej; Bruzda, Grzegorz

2014-06-01

In this work, the surface tension and density of Si-Ge liquid alloys were determined by the pendant drop method. Over the range of measurements, both properties show a linear temperature dependence and a nonlinear concentration dependence. Indeed, the density decreases with increasing silicon content exhibiting positive deviation from ideality, while the surface tension increases and deviates negatively with respect to the ideal solution model. Taking into account the Si-Ge phase diagram, a simple lens type, the surface tension behavior of the Si-Ge liquid alloys was analyzed in the framework of the Quasi-Chemical Approximation for the Regular Solutions model. The new experimental results were compared with a few data available in the literature, obtained by the containerless method.

A comparison of UV surface brightness and HI surface densities for spiral galaxies

International Nuclear Information System (INIS)

Federman, S.R.; Strom, C.

1990-01-01

Shaya and Federman (1987) suggested that the ambient ultraviolet flux at 1000 A permeating a spiral galaxy controls the neutral hydrogen (HI) surface density in the galaxy. They found that the atomic envelopes surrounding small molecular clouds, because of their great number, provide the major contribution to the HI surface density over the stellar disk. The increase in HI surface density with later Hubble types was ascribed to the stronger UV fields from more high-mass stars in later Hubble types. These hypotheses are based on the observations of nearby diffuse interstellar clouds, which show a sharp atomic-to-molecular transition (Savage et al. 1977), and on the theoretical framework introduced by Federman, Glassgold, and Kwan (1979). Atomic envelopes around interstellar clouds in the solar neighborhood arise when a steady state is reached between photodissociation of H2 and the formation of H2 on grains. The photodissociation process involves photons with wavelengths between 912 A and 1108 A. Shaya and Federman used H-alpha flux as an approximate measure for the far UV flux and made their comparisons based on averages over Hubble type. Here, researchers compare, on an individual basis, UV data obtained with space-borne and balloon-borne instruments for galaxies with measurements of HI surface density (Warmels 1988a, b). The comparisons substantiate the conclusion of Shaya and Federman that the far UV field controls the HI content of spiral galaxies

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

Science.gov (United States)

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.

Characterization of pinning stability of HTS Gd123 bulks by using a pulsed-field magnetization

Energy Technology Data Exchange (ETDEWEB)

Taguchi, R; Miki, M; Tsuzuki, K; Izumi, M [Department of Marine Electronics and Mechanical Engineering, Tokyo University of Marine Science and Technology, 2-1-6, Etchujima, Koto-ku, Tokyo 135-8533 (Japan); Yamaguchi, K [Sumitomo Heavy Industries Ltd., ThinkPark Tower, 1-1-2, Osaki, Shinagawa-ku, Tokyo 141-6025 (Japan); Kimura, Y [Kawasaki Heavy Industries Ltd., Technical Institute System Technology Development Center, 1-1, Kawasaki-cho, Akashi-shi, Hyogo 673-8666 (Japan); Ida, T, E-mail: m084025@kaiyodai.ac.j [Department of Electronic Control Engineering, Hiroshima National College of Maritime Technology, Toyota-gun, Hiroshima 725-0231 (Japan)

2010-06-01

High-temperature superconductor (HTS) Gd-bulks are used for field-pole magnets of rotating machines. We have conducted a study of pulsed-field magnetization (PFM) for the bulks to be magnetized alternatively on the rotor. Performances of HTS bulks have been qualified on the basis of the field-cooling magnetization (FCM). HTS bulks are a kind of crystals containing lots of tiny crystals boundaries. It is difficult to find comparable data between PFM and FCM results, mainly because of the different pinning stability through both processes. We need to assess an effective method of characterization for the flux pinning stability under PFM. We compared two HTS bulks: one shows a flux flow and relatively small trapped flux while the other is magnetized with a little flux instability and a large integrated trapped flux. These Gd123 bulks are 100 mm in diameter and 20 mm in thickness. After applying PFM at the liquid nitrogen temperature, we measured the trapped field density distribution and introduced a new parameter representing the trapped flux instability at each position on the surface of the bulk. We propose a way of visualization of the flux pinning instability of the HTS bulks.

Assessment of soil sample quality used for density evaluations through computed tomography

International Nuclear Information System (INIS)

Pires, Luiz F.; Arthur, Robson C.J.; Bacchi, Osny O.S.

2005-01-01

There are several methods to measure soil bulk density (ρ s ) like the paraffin sealed clod (PS), the volumetric ring (VR), the computed tomography (CT), and the neutron-gamma surface gauge (SG). In order to evaluate by a non-destructive way the possible modifications in soil structure caused by sampling for the PS and VR methods of ρ s evaluation we proposed to use the gamma ray CT method. A first generation tomograph was used having a 241 Am source and a 3 in x 3 in NaI(Tl) scintillation crystal detector coupled to a photomultiplier tube. Results confirm the effect of soil sampler devices on the structure of soil samples, and that the compaction caused during sampling causes significant alterations of soil bulk density. Through the use of CT it was possible to determine the level of compaction and to make a detailed analysis of the soil bulk density distribution within the soil sample. (author)

Standard Test Method for Water Absorption, Bulk Density, Apparent Porosity, and Apparent Specific Gravity of Fired Whiteware Products

CERN Document Server

American Society for Testing and Materials. Philadelphia

2006-01-01

1.1 This test method covers procedures for determining water absorption, bulk density, apparent porosity, and apparent specific gravity of fired unglazed whiteware products. 1.2 This standard may involve hazardous materials, operations, and equipment. This standard does not purport to address all of the safety problems associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use.

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

Science.gov (United States)

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

2018-02-01

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

Thermal treatment induced modification of structural, surface and bulk magnetic properties of Fe61.5Co5Ni8Si13.5B9Nb3 metallic glass

Science.gov (United States)

Shah, M.; Satalkar, M.; Kane, S. N.; Ghodke, N. L.; Sinha, A. K.; Varga, L. K.; Teixeira, J. M.; Araujo, J. P.

2018-05-01

Effect of thermal annealing induced modification of structural, surface and bulk magnetic properties of Fe61.5Co5Ni8Si13.5B9Nb3 alloy is presented. The changes in properties were observed using synchrotron x-ray diffraction technique (SXRD), atomic force microscopy (AFM), magneto-optical kerr effect (MOKE) and bulk magnetic measurements. Significant variations on the both side of surface occur for the annealing temperature upto 500 °C promotes the surface crystallization. Surface roughness appears due to presence of nanocrystallization plays an important role in determining magnetic properties. Observed lower value of bulk coercivity Hc of 6.2 A/m annealed temperature at 450 °C/1 h ascribed to reduction of disorder as compared to the surface (both shiny and wheel side observed by MOKE measurement) whereas improvement of bulk saturation magnetization with annealing temperature indicates first near neighbor shell of Fe atoms are surrounded by Fe atoms. Evolution of coercivity of surface and bulk with annealing temperature has been presented in conjunction with the structural observations.

Temperature-dependent surface density of alkylthiol monolayers on gold nanocrystals

Science.gov (United States)

Liu, Xuepeng; Lu, Pin; Zhai, Hua; Wu, Yucheng

2018-03-01

Atomistic molecular dynamics (MD) simulations are performed to study the surface density of passivating monolayers of alkylthiol chains on gold nanocrystals at temperatures ranging from 1 to 800 K. The results show that the surface density of alkylthiol monolayer reaches a maximum value at near room temperature (200-300 K), while significantly decreases with increasing temperature in the higher temperature region (> 300 {{K}}), and slightly decreases with decreasing temperature at low temperature (< 200 {{K}}). We find that the temperature dependence of surface ligand density in the higher temperature region is attributed to the substantial ligand desorption induced by the thermal fluctuation, while that at low temperature results from the reduction in entropy caused by the change in the ordering of passivating monolayer. These results are expected helpful to understand the temperature-dependent surface coverage of gold nanocrystals.

Physico-mechanical characteristics of commercially available bulk-fill composites.

Science.gov (United States)

Leprince, Julian G; Palin, William M; Vanacker, Julie; Sabbagh, Joseph; Devaux, Jacques; Leloup, Gaetane

2014-08-01

Bulk-fill composites have emerged, arguably, as a new "class" of resin-based composites, which are claimed to enable restoration in thick layers, up to 4mm. The objective of this work was to compare, under optimal curing conditions, the physico-mechanical properties of most currently available bulk-fill composites to those of two conventional composite materials chosen as references, one highly filled and one flowable "nano-hybrid" composite. Tetric EvoCeram Bulk Fill (Ivoclar-Vivadent), Venus Bulk Fill (Heraeus-Kulzer), SDR (Dentsply), X-tra Fil (VOCO), X-tra Base (VOCO), Sonic Fill (Kerr), Filtek Bulk Fill (3M-Espe), Xenius (GC) were compared to the two reference materials. The materials were light-cured for 40s in a 2mm×2mm×25mm Teflon mould. Degree of conversion was measured by Raman spectroscopy, Elastic modulus and flexural strength were evaluated by three point bending, surface hardness using Vickers microindentation before and after 24h ethanol storage, and filler weight content by thermogravimetric analysis. The ratio of surface hardness before and after ethanol storage was considered as an evaluation of polymer softening. Data were analyzed by one-way ANOVA and post hoc Tukey's test (p=0.05). The mechanical properties of the bulk-fill composites were mostly lower compared with the conventional high viscosity material, and, at best, comparable to the conventional flowable composite. Linear correlations of the mechanical properties investigated were poor with degree of conversion (0.090.8). Softening in ethanol revealed differences in polymer network density between material types. The reduction of time and improvement of convenience associated with bulk-fill materials is a clear advantage of this particular material class. However, a compromise with mechanical properties compared with more conventional commercially-available nano-hybrid materials was demonstrated by the present work. Given the lower mechanical properties of most bulk-fill materials

Effect of the Ultrasonic Nanocrystalline Surface Modification (UNSM on Bulk and 3D-Printed AISI H13 Tool Steels

Directory of Open Access Journals (Sweden)

In-Sik Cho

2017-11-01

Full Text Available A comparative study of the microstructure, hardness, and tribological properties of two different AISI H13 tool steels—classified as the bulk with no heat treatment steel or the 3D-printed steel—was undertaken. Both samples were subjected to ultrasonic nanocrystalline surface modification (UNSM to further enhance their mechanical properties and improve their tribological behavior. The objective of this study was to compare the mechanical properties and tribological behavior of these tool steels since steel can exhibit a wide variety of mechanical properties depending on different manufacturing processes. The surface hardness of the samples was measured using a micro-Vickers hardness tester. The hardness of the 3D-printed AISI H13 tool steel was found to be much higher than that of the bulk one. The surface morphology of the samples was characterized by electron backscattered diffraction (EBSD in order to analyze the grain size and number of fractions with respect to the misorientation angle. The results revealed that the grain size of the 3D-printed AISI H13 tool steel was less than 0.5 μm, whereas that of the bulk tool steel was greater than 4 μm. The number of fractions of the bulk tool steel was about 0.5 μm at a low misorientation angle, and it decreased gradually with increasing misorientation angle. The low-angle grain boundary (LAGB and high-angle grain boundary (HAGB of the bulk sample were about 21% and 79%, respectively, and those of the 3D-printed sample were about 8% and 92%, respectively. Moreover, the friction and wear behavior of the UNSM-treated AISI H13 tool steel specimen was better than those of the untreated one. This study demonstrated the capability of 3D-printed AISI H13 tool steel to exhibit excellent mechanical and tribological properties for industrial applications.

Analysis of a Lennard-Jones fcc structure melting to the corresponding frozen liquid: Differences between the bulk and the surface

International Nuclear Information System (INIS)

Olivi-Tran, N.; Faivre, A.

2009-01-01

We computed a Lennard-Jones frozen liquid with a free surface using classical molecular dynamics. The structure factor curves on the free surface of this sample were calculated for different depths knowing that we have periodic boundary conditions on the other parts of the sample. The resulting structure factor curves show an horizontal shift of their first peak depending on how deep in the sample the curves are computed. We analyze our resulting curves in the light of spatial correlation functions during melting. The conclusion is that the differences between bulk and surface are quite small during melting and that at the end of melting, only the very surface happens to be less dense than the bulk. This result is intrinsic to the shape of the Lennard-Jones potential and does not depend on any other parameter.

Observation of core-level binding energy shifts between (100) surface and bulk atoms of epitaxial CuInSe{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Nelson, A.J. [Colorado School of Mines, Golden, CO (United States); Berry, G.; Rockett, A. [Univ. of Illinois, Urbana-Champaign, IL (United States)] [and others

1997-04-01

Core-level and valence band photoemission from semiconductors has been shown to exhibit binding energy differences between surface atoms and bulk atoms, thus allowing one to unambiguously distinguish between the two atomic positions. Quite clearly, surface atoms experience a potential different from the bulk due to the lower coordination number - a characteristic feature of any surface is the incomplete atomic coordination. Theoretical accounts of this phenomena are well documented in the literature for III-V and II-VI semiconductors. However, surface state energies corresponding to the equilibrium geometry of (100) and (111) surfaces of Cu-based ternary chalcopyrite semiconductors have not been calculated or experimental determined. These compounds are generating great interest for optoelectronic and photovoltaic applications, and are an isoelectronic analog of the II-VI binary compound semiconductors. Surface core-level binding energy shifts depend on the surface cohesive energies, and surface cohesive energies are related to surface structure. For ternary compound semiconductor surfaces, such as CuInSe{sub 2}, one has the possibility of variations in surface stoichiometry. Applying standard thermodynamical calculations which consider the number of individual surface atoms and their respective chemical potentials should allow one to qualitatively determine the magnitude of surface core-level shifts and, consequently, surface state energies.

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

Science.gov (United States)

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.

Photon density of states for deformed surfaces

International Nuclear Information System (INIS)

Emig, T

2006-01-01

A new approach to the Helmholtz spectrum for arbitrarily shaped boundaries and a rather general class of boundary conditions is introduced. We derive the boundary induced change of the density of states in terms of the free Green's function from which we obtain both perturbative and non-perturbative results for the Casimir interaction between deformed surfaces. As an example, we compute the lateral electrodynamic Casimir force between two corrugated surfaces over a wide parameter range. Universal behaviour, fixed only by the largest wavelength component of the surface shape, is identified at large surface separations. This complements known short distance expansions which are also reproduced

A Snow Density Dataset for Improving Surface Boundary Conditions in Greenland Ice Sheet Firn Modeling

Directory of Open Access Journals (Sweden)

Robert S. Fausto

2018-05-01

Full Text Available The surface snow density of glaciers and ice sheets is of fundamental importance in converting volume to mass in both altimetry and surface mass balance studies, yet it is often poorly constrained. Site-specific surface snow densities are typically derived from empirical relations based on temperature and wind speed. These parameterizations commonly calculate the average density of the top meter of snow, thereby systematically overestimating snow density at the actual surface. Therefore, constraining surface snow density to the top 0.1 m can improve boundary conditions in high-resolution firn-evolution modeling. We have compiled an extensive dataset of 200 point measurements of surface snow density from firn cores and snow pits on the Greenland ice sheet. We find that surface snow density within 0.1 m of the surface has an average value of 315 kg m−3 with a standard deviation of 44 kg m−3, and has an insignificant annual air temperature dependency. We demonstrate that two widely-used surface snow density parameterizations dependent on temperature systematically overestimate surface snow density over the Greenland ice sheet by 17–19%, and that using a constant density of 315 kg m−3 may give superior results when applied in surface mass budget modeling.

Lactoperoxidase catalyzed radioiodination of cell surface immunoglobulin: incorporated radioactivity may not reflect relative cell surface Ig density

International Nuclear Information System (INIS)

Wilder, R.L.; Yuen, C.C.; Mage, R.G.

1979-01-01

Rabbit and mouse splenic lymphocytes were radioiodinated by the lactoperoxidase technique, extracted with non-ionic detergent, immunoprecipitated with high titered rabbit anti-kappa antisera, and compared by SDS-PAGE. Mouse sIg peaks were reproducibly larger in size than rabbit sIg peaks (often greater than 10 times). Neither differences in incorporation of label into the rabbit cell surface, nor differences in average sIg density explain this result. Total TCA-precipitable radioactivity was similar in each species. Estimation of the relative amounts of sIg in the mouse and rabbit showed similar average sIg densities. Differences in detergent solubility, proteolytic lability, or antisera used also do not adequately account for this difference. Thus, these data indicate that radioactivity incorporated after lactoperoxidase catalyzed cell surface radioiodination may not reflect cell surface Ig density. Conclusions about cell surface density based upon relative incorporation of radioactivity should be confirmed by other approaches

Surface impedance and optimum surface resistance of a superconductor with an imperfect surface

Science.gov (United States)

Gurevich, Alex; Kubo, Takayuki

2017-11-01

We calculate a low-frequency surface impedance of a dirty, s -wave superconductor with an imperfect surface incorporating either a thin layer with a reduced pairing constant or a thin, proximity-coupled normal layer. Such structures model realistic surfaces of superconducting materials which can contain oxide layers, absorbed impurities, or nonstoichiometric composition. We solved the Usadel equations self-consistently and obtained spatial distributions of the order parameter and the quasiparticle density of states which then were used to calculate a low-frequency surface resistance Rs(T ) and the magnetic penetration depth λ (T ) as functions of temperature in the limit of local London electrodynamics. It is shown that the imperfect surface in a single-band s -wave superconductor results in a nonexponential temperature dependence of Z (T ) at T ≪Tc which can mimic the behavior of multiband or d -wave superconductors. The imperfect surface and the broadening of the gap peaks in the quasiparticle density of states N (ɛ ) in the bulk give rise to a weakly temperature-dependent residual surface resistance. We show that the surface resistance can be optimized and even reduced below its value for an ideal surface by engineering N (ɛ ) at the surface using pair-breaking mechanisms, particularly by incorporating a small density of magnetic impurities or by tuning the thickness and conductivity of the normal layer and its contact resistance. The results of this work address the limit of Rs in superconductors at T ≪Tc , and the ways of engineering the optimal density of states by surface nanostructuring and impurities to reduce losses in superconducting microresonators, thin-film strip lines, and radio-frequency cavities for particle accelerators.

Surface band structures on Nb(001)

International Nuclear Information System (INIS)

Fang, B.; Lo, W.; Chien, T.; Leung, T.C.; Lue, C.Y.; Chan, C.T.; Ho, K.M.

1994-01-01

We report the joint studies of experimental and theoretical surface band structures of Nb(001). Angle-resolved photoelectron spectroscopy was used to determine surface-state dispersions along three high-symmetry axes bar Γ bar M, bar Γ bar X, and bar M bar X in the surface Brillouin zone. Ten surface bands have been identified. The experimental data are compared to self-consistent pseudopotential calculations for the 11-layer Nb(001) slabs that are either bulk terminated or fully relaxed (with a 12% contraction for the first interlayer spacing). The band calculations for a 12% surface-contracted slab are in better agreement with the experimental results than those for a bulk-terminated slab, except for a surface resonance near the Fermi level, which is related to the spin-orbit interaction. The charge profiles for all surface states or resonances have been calculated. Surface contraction effects on the charge-density distribution and the energy position of surface states and resonances will also be discussed

Movimento e inativação do metribuzin em materiais de dois solos, sob diferentes densidades aparentes Movement and inactivation of metribuzin in two soil materials with different bulk densities

Directory of Open Access Journals (Sweden)

L.E.F. Fontes

1980-06-01

Full Text Available Numa série de ensaios em laboratório e casa-de-vegetação, estudou-se a mobilidade e a inativação do herbicida metribuzin em materiais de um Latossolo e de um Podzólico representativos de duas regiões do Estado de Minas Gerais, em função de diferentes densidades aparentes. Ensaios biológicos foram utilizados para medir a inativação e a mobilidade do metribuzin nos diferentes solos e densidades. A densidade aparente alterou de forma pronunciada a quantidade de herbicida lixiviado através das colunas dos materiais dos solos estudados. Quanto maior a densidade, menor a quantidade de herbicida lixiviado. A quantidade de herbicida que permaneceu biologicamente ativo ao longo da coluna foi diretamente relacionada com a densidade, em cada solo. A mobilidade do metribuzin no material do Latossolo foi maior que no de Podzólico, em consequência de maior atividade coloidal deste.The leaching and inactivation of metribuzin were studied with materials of two mineral soilsat different bulk densities. Plastic tubing of' 7.25 cm diameter and 10 cm height were filled up with different amounts of soil to get different bulk densities. One kg/ha of a.i. of metribuzin placed on the surface are a of the column was le ached through these soil colums using 250 ml of water. The cotyledon disk bioassay method was used to detect the metribuzin leachet. The biological active metribuzin in the soil colunn at different depths, and the inativation abil ity of the soils were determined using the assay with cucumber (Cucumis sativus L. as test-plant. The increase of bulk density reduced the leaching and enhanced the biologically active metribuzin in the soil column. Metribuzin was more mobil in the Red -yellow Lato ssol and more inactivated in the Red-yellow Podzolic soils.

Simulation of Field Dependence of Critical Current Densities of Bulk High Tc Superconducting Materials regarding Thermally Activated Flux Motion

Science.gov (United States)

Santosh, M.; Naik, S. Pavan Kumar; Koblischka, M. R.

2017-07-01

In the upcoming generation, bulk high temperature superconductors (HTS) will play a crucial and a promising role in numerous industrial applications ranging from Maglev trains to magnetic resonance imaging, etc. Especially, the bulk HTS as permanent magnets are suitable due to the fact that they can trap magnetic fields being several orders of magnitude higher than those of the best hard ferromagnets. The bulk HTS LREBa2Cu3O7-δ (LREBCO or LRE-123, LRE: Y, Gd, etc.,) materials could obtain very powerful compact superconducting super-magnets, which can be operated at the cheaper liquid nitrogen temperature or below due to higher critical temperatures (i.e., ∼90 K). As a result, the new advanced technology can be utilized in a more attractive manner for a variety of technological and medical applications which have the capacity to revolutionize the field. An understanding of the magnetic field dependence of the critical current density (J c(H)) is important to develop better adapted materials. To achieve this goal, a variety of Jc (H) behaviours of bulk LREBCO samples were modelled regarding thermally activated flux motion. In essence, the Jc (H) curves follows a certain criterion where an exponential model is applied. However, to fit the complete Jc (H) curve of the LRE-123 samples an unique model is necessary to explain the behavior at low and high fields. The modelling of the various superconducting materials could be understood in terms of the pinning mechanisms.

The Effect of Bulk Depth and Irradiation Time on the Surface Hardness and Degree of Cure of Bulk-Fill Composites

Directory of Open Access Journals (Sweden)

Farahat F

2016-09-01

Full Text Available Statement of Problem: For many years, application of the composite restoration with a thickness less than 2 mm for achieving the minimum polymerization contraction and stress has been accepted as a principle. But through the recent development in dental material a group of resin based composites (RBCs called Bulk Fill is introduced whose producers claim the possibility of achieving a good restoration in bulks with depths of 4 or even 5 mm. Objectives: To evaluate the effect of irradiation times and bulk depths on the degree of cure (DC of a bulk fill composite and compare it with the universal type. Materials and Methods: This study was conducted on two groups of dental RBCs including Tetric N Ceram Bulk Fill and Tetric N Ceram Universal. The composite samples were prepared in Teflon moulds with a diameter of 5 mm and height of 2, 4 and 6 mm. Then, half of the samples in each depth were cured from the upper side of the mould for 20s by LED light curing unit. The irradiation time for other specimens was 40s. After 24 hours of storage in distilled water, the microhardness of the top and bottom of the samples was measured using a Future Tech (Japan- Model FM 700 Vickers hardness testing machine. Data were analyzed statistically using the one and multi way ANOVAand Tukey’s test (p = 0.050. Results: The DC of Tetric N Ceram Bulk Fill in defined irradiation time and bulk depth was significantly more than the universal type (p < 0.001. Also, the DC of both composites studied was significantly (p < 0.001 reduced by increasing the bulk depths. Increasing the curing time from 20 to 40 seconds had a marginally significant effect (p ≤ 0.040 on the DC of both bulk fill and universal studied RBC samples. Conclusions: The DC of the investigated bulk fill composite was better than the universal type in all the irradiation times and bulk depths. The studied universal and bulk fill RBCs had an appropriate DC at the 2 and 4 mm bulk depths respectively and

A density functional theory study of uranium-doped thoria and uranium adatoms on the major surfaces of thorium dioxide

Energy Technology Data Exchange (ETDEWEB)

Shields, Ashley E. [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Santos-Carballal, David [School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT (United Kingdom); Leeuw, Nora H. de, E-mail: DeLeeuwN@Cardiff.ac.uk [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT (United Kingdom)

2016-05-15

Thorium dioxide is of significant research interest for its use as a nuclear fuel, particularly as part of mixed oxide fuels. We present the results of a density functional theory (DFT) study of uranium-substituted thorium dioxide, where we found that increasing levels of uranium substitution increases the covalent nature of the bonding in the bulk ThO{sub 2} crystal. Three low Miller index surfaces have been simulated and we propose the Wulff morphology for a ThO{sub 2} particle and STM images for the (100), (110), and (111) surfaces studied in this work. We have also calculated the adsorption of a uranium atom and the U adatom is found to absorb strongly on all three surfaces, with particular preference for the less stable (100) and (110) surfaces, thus providing a route to the incorporation of uranium into a growing thoria particle. - Highlights: • Uranium substitution in ThO{sub 2} is found to increase the covalent nature of the ionic bonding. • The (111), (110), and (100) surfaces of ThO{sub 2} are studied and the particle morphology is proposed. • STM images of the (111), (110), and (100) surfaces of ThO{sub 2} are simulated. • Uranium adsorption on the major surfaces of ThO{sub 2} is studied.

A Snow Density Dataset for Improving Surface Boundary Conditions in Greenland Ice Sheet Firn Modeling

DEFF Research Database (Denmark)

S. Fausto, Robert; E. Box, Jason; Vandecrux, Baptiste Robert Marcel

2018-01-01

The surface snow density of glaciers and ice sheets is of fundamental importance in converting volume to mass in both altimetry and surface mass balance studies, yet it is often poorly constrained. Site-specific surface snow densities are typically derived from empirical relations based...... on temperature and wind speed. These parameterizations commonly calculate the average density of the top meter of snow, thereby systematically overestimating snow density at the actual surface. Therefore, constraining surface snow density to the top 0.1 m can improve boundary conditions in high-resolution firn......-evolution modeling. We have compiled an extensive dataset of 200 point measurements of surface snow density from firn cores and snow pits on the Greenland ice sheet. We find that surface snow density within 0.1 m of the surface has an average value of 315 kg m−3 with a standard deviation of 44 kg m−3, and has...

The influence of the bulk reduction state on the surface structure and morphology of rutile TiO{sub 2}(110) single crystals

Energy Technology Data Exchange (ETDEWEB)

Li, M.; Hebenstreit, W.; Diebold, U.; Tyryshkin, A.M.; Bowman, M.K.; Dunham, G.G.; Henderson, M.A.

2000-05-25

The authors have investigated the relationship between different types and amounts of bulk defects and the surface morphology of TiO{sub 2}(110) single crystals prepared by annealing in ultrahigh vacuum and in oxygen. Rutile TiO{sub 2}(110) specimens were cut from the same crystal and were heated in a furnace to different temperatures which resulted in different states of reduction (colors of the crystals). After characterization of the bulk defects with electron paramagnetic resonance (EPR), the specimens were studied with scanning tunneling microscopy (STM), low-energy He{sup +} ion scattering (LEIS), and work function measurements. EPR reveals that darker rutile crystals exhibit higher concentrations of extended Ti{sup 3+} related bulk defects such as crystallographic shear planes (CSP), with a decrease in substitutional and interstitial defects as compared to lighter crystals. Surface structures with (1 x 2) features are preferably formed upon UHV annealing on these darker crystals. LEIS measurements show that all of the crystals' (110) surfaces are reoxidized upon annealing in {sup 18}O{sub 2} (573 K, 1 x 10{sup {minus}6} mbar, 10 min) and that the {sup 18}O surface content is proportional to the bulk reduction state. UV-visible adsorption spectra and resistivity measurements also scale with the reduction states of crystals. Only the (1 x 1) structure is observed on the surface of slightly reduced crystals. Annealing in oxygen induces additional metastable structures, i.e., TiO{sub 2} clusters on blue crystals and rosette networks on dark blue crystals.

DETERMINATION OF SURFACE CHARGE DENSITY OF α ...

African Journals Online (AJOL)

a

The whole set up was interfaced with a computer for easy data acquisition. It was observed that ... parameters. KEY WORDS: Alumina, Surface charge density, Acid-base titration, Point of zero charge ... For instance, Al2(SO4)3 is used in water ...

Density functional theory of simple polymers in a slit pore. III. Surface tension

International Nuclear Information System (INIS)

Hooper, Justin B.; McCoy, John D.; Curro, John G.; Swol, Frank van

2000-01-01

In a previous study of tangent hard-site chains near a surface, the inhomogeneous density profiles were found through density functional theory. In the current study, the surface tensions of these systems are found from the results of the previous study through a thermodynamic integration. The calculated surface tensions are then compared to those found directly through computer simulation. Both the surface tension and surface excess for polymeric systems are shown to differ qualitatively from those of atomic systems, although certain similarities are seen at high densities. (c) 2000 American Institute of Physics

75 FR 34573 - Bulk Solid Hazardous Materials: Harmonization With the International Maritime Solid Bulk Cargoes...

Science.gov (United States)

2010-06-17

... reduced iron (DRI) as briquettes molded at a temperature of 650 [deg]C or higher that have a density of 5... temperature of 650 [deg]C or higher or had a density of 5.0 g/cm[sup3] or greater. In this proposed rule, we... bulk materials of Hazard Classes 4 through 9. c. One comment recommended that a DCM be required for...

Full charge-density calculation of the surface energy of metals

DEFF Research Database (Denmark)

Vitos, Levente; Kollár, J..; Skriver, Hans Lomholt

1994-01-01

of a spherically symmetrized charge density, while the Coulomb and exchange-correlation contributions are calculated by means of the complete, nonspherically symmetric charge density within nonoverlapping, space-filling Wigner-Seitz cells. The functional is used to assess the convergence and the accuracy......We have calculated the surface energy and the work function of the 4d metals by means of an energy functional based on a self-consistent, spherically symmetric atomic-sphere potential. In this approach the kinetic energy is calculated completely within the atomic-sphere approximation (ASA) by means...... of the linear-muffin-tin-orbitals (LMTO) method and the ASA in surface calculations. We find that the full charge-density functional improves the agreement with recent full-potential LMTO calculations to a level where the average deviation in surface energy over the 4d series is down to 10%....

Influence of Microstructure and Process Conditions on Simultaneous Low-Temperature Surface Hardening and Bulk Precipitation Hardening of Nanoflex®

DEFF Research Database (Denmark)

Bottoli, Federico; Winther, Grethe; Christiansen, Thomas L.

2015-01-01

Precipitation hardening martensitic stainless steel Nanoflex was low-temperature nitrided or nitrocarburized. In these treatments, simultaneous hardening of the bulk, by precipitation hardening, and the surface by dissolving nitrogen/carbon can be obtained because the treatment temperatures...... and times for these essentially different hardening mechanisms are compatible. The effect of the processing history of the steel on the nitrided/nitrocarburized case was investigated by varying the amounts of austenite and martensite through variation of the degree of plastic deformation by tensile strain...... consisting of martensite results in the deepest nitrided case, while a shallow case develops on a microstructure consisting of austenite. For an initial microstructure consisting of both martensite and austenite a non-uniform case depth is achieved. Simultaneous bulk and surface hardening is only possible...

Ab-initio study of Mg-doped InN(0001 surface

Directory of Open Access Journals (Sweden)

A. Belabbes

2013-01-01

Full Text Available We study the incorporation of Mg atoms into the InN(0001 surface. Energies and atomic geometries are described within density functional theory, while the electronic structure is investigated by an approximate quasiparticle method that yields a gap value of 0.7 eV for bulk InN. The formation of substitutional Mg is energetically favored in the surface layer. The surface electronic structure is less influenced by Mg-derived states. The Fermi level is pinned by In-derived surface states. With increasing depth of Mg beneath the surface the Fermi-level position moves toward the valence band top, suggesting formation of holes and, hence, p-doping of Mg in bulk-like layers.

Optimising mechanical strength and bulk density of dry ceramic bodies through mixture design

Directory of Open Access Journals (Sweden)

Correia, S. L.

2005-02-01

Full Text Available In industrial practice, it is desirable to be able to predict, in an expeditious way, what the effects of a change in raw materials or the proportions thereof might be in the various processing steps towards the final product. When the property of interest is basically determined by the combination (or mixture of raw materials, an optimisation methodology specific to the design of mixture experiments can be successfully used. In the present study, dry bending strength and bulk density were selected as the properties to model, given the simplicity of their experimental determination and because they are frequently used as quality control parameter in the development and manufacture stages of floor and wall ceramic tiles. Ten formulations of three raw materials (a clay mixture, potash feldspar and quartz sand were processed in the laboratory under fixed conditions, similar to those used in the ceramics industry, and characterised. The use of this methodology enabled the calculation of valid regression models (equations relating dry bending strength and bulk density with the contents, in the starting mixture, of the particular raw materials used.

En el trabajo industrial es deseable poder predecir de manera efectiva, los efectos que los cambios en las materias primas o en sus proporciones pueden ejercer sobre las variables del proceso y como estos afectan al producto final. Cuando la propiedad de interés depende preferentemente de la mezcla de las materias primas, una metodología específica de optimización para el diseño de los experimentos de mezclas puede ser empleada con éxito. En este trabajo, la resistencia mecánica en seco y la densidad se emplearon como los parámetros de control en el desarrollo y producción de azulejos cerámicos para pavimento y revestimiento. Diez formulaciones a partir de tres materias primas ( una mezcla de arcilla, feldespato potásico y arena de cuarzo fueron procesadas en el laboratorio bajo

Surface half-metallicity and stability of zinc-blende sodium monoselenide

International Nuclear Information System (INIS)

Tabatabaeifar, A.; Davatolhagh, S.; Moradi, M.

2017-01-01

Highlights: • Density functional study reveals. • Robust half-metallicity of zinc-blende NaSe (001) surfaces. • Stable against phase separation as indicated by negative formation energy. • Magnetically stable at room temperature because of high Curie temperature. • Surfaces are stable as indicated by low surface energies. • Therefore, zinc-blende NaSe promising candidate as spin injection material. - Abstract: The electronic structure and magnetic properties of relaxed (001) surfaces of the sp-electron half-metallic ferromagnet NaSe in the zinc-blende phase, are calculated on the basis of first principle density functional theory within the framework of self-consistent field plane wave pseudo-potential method, using the generalized gradient approximation for the exchange-correlation functional. The results of this study reveal that both Na- and Se-terminated surfaces retain the robust bulk half-metallic property. The negative value found for the bulk formation energy indicates that this material is stable against phase separation. We also obtain the surface energies and discuss their stability via the calculated bulk formation energy. The Curie temperature is estimated to be 920 K within mean field approximation, which is well above the room temperature. In the light of the above, zinc-blende NaSe appears to be a good candidate for spintronic applications as spin injection material.

Mechanically durable underwater superoleophobic surfaces based on hydrophilic bulk metals for oil/water separation

Science.gov (United States)

Yu, Huadong; Lian, Zhongxu; Xu, Jinkai; Wan, Yanling; Wang, Zuobin; Li, Yiquan; Yu, Zhanjiang; Weng, Zhankun

2018-04-01

Despite the success of previous methods for fabricating underwater superoleophobic surfaces, most of the surfaces based on soft materials are prone to collapse and deformation due to their mechanically fragile nature, and they fail to perform their designed functions after the surface materials are damaged in water. In this work, the nanosecond laser-induced oxide coatings on hydrophilic bulk metals are reported which overcomes the limitation and shows the robust underwater superoleophobicity to a mechanical challenge encountered by surfaces deployed in water environment. The results show that the surface materials have the advantage that the underwater superoleophobicity is still preserved after the surfaces are scratched by knife or sandpaper and even completely destroyed because of the hydrophilic property of damaged materials in water. It is important that the results provide a guide for the design of durable underwater superoleophobic surfaces, and the development of superoleophobic materials in many potential applications such as the oil-repellent and the oil/water separation. Additionally, the nanosecond laser technology is simple, cost-effective and suitable for the large-area and mass fabrication of mechanically durable underwater superoleophobic metal materials.

Response of the Shockley surface state on Cu(111) to an external electrical field: A density-functional theory study

Science.gov (United States)

Berland, Kristian; Hyldgaard, Per; Einstein, T. L.

2011-03-01

We study the response of the Cu(111) Shockley surface state to an external electrical field E by combining a density-functional theory calculation for a finite slab geometry with an analysis of the Kohn-Sham wavefunctions to obtain a well-converged characterization. We find that the surface state displays isotropic dispersion, quadratic until the Fermi wave vector but with a significant quartic contribution beyond. We find that the shift in band minimum and effective mass depend linearly on E. Most change in electrostatic potential profile, and charge transfer occurs outside the outermost copper atoms, and most of the screening is due to bulk electrons. Our analysis is facilitated by a method used to decouple the Kohn-Sham states due to the finite slab geometry, using a rotation in Hilbert space. We discuss applications to tuning the Fermi wavelength and so the many patterns attributed to metallic surface states. Supported by (KB and PH) Swedish Vetenskapsrådet VR 621-2008-4346 and (TLE) NSF CHE 07-50334 & UMD MRSEC DMR 05-20471.

AlGaN/GaN HEMT structures on ammono bulk GaN substrate

International Nuclear Information System (INIS)

Kruszewski, P; Prystawko, P; Krysko, M; Smalc-Koziorowska, J; Leszczynski, M; Kasalynas, I; Nowakowska-Siwinska, A; Plesiewicz, J; Dwilinski, R; Zajac, M; Kucharski, R

2014-01-01

The work shows a successful fabrication of AlGaN/GaN high electron mobility transistor (HEMT) structures on the bulk GaN substrate grown by ammonothermal method providing an ultralow dislocation density of 10 4  cm −2  and wafers of size up to 2 inches in diameter. The AlGaN layers grown by metalorganic chemical vapor phase epitaxy method demonstrate atomically smooth surface, flat interfaces with reproduced low dislocation density as in the substrate. The test electronic devices—Schottky diodes and transistors—were designed without surface passivation and were successfully fabricated using mask-less laser-based photolithography procedures. The Schottky barrier devices demonstrate exceptionally low reverse currents smaller by a few orders of magnitude in comparison to the Schottky diodes made of AlGaN/GaN HEMT on sapphire substrate. (paper)

Effect of Polyelectrolyte and Fatty Acid Soap on the Formation of CaCO3 in the Bulk and the Deposit on Hard Surfaces.

Science.gov (United States)

Wang, Hao; Alfredsson, Viveka; Tropsch, Juergen; Ettl, Roland; Nylander, Tommy

2015-09-30

The effects of sodium polyacrylate (NaPAA) as well as potassium oleate on the nucleation and calcium carbonate crystal growth on hard surfaces, i.e., stainless steel and silica, have been investigated at different temperatures. The relation between the surface deposition and the corresponding bulk processes has been revealed by combining dynamic light scattering (DLS), scanning electron microscopy (SEM), X-ray diffraction (XRD), and ellipsometry. The aim was to further our understanding of the crystal deposition/growth mechanism and how it can be controlled by the presence of polyelectrolytes (NaPAA) or soap (potassium oleate). The addition of polyelectrolytes (NaPAA) or soap (potassium oleate) decreases the size of CaCO3 particles in bulk solution and affects both crystal structure and morphology in the bulk as well as on hard surfaces. The amount of particles on hard surfaces decreases significantly in the presence of both potassium oleate and NaPAA. This was found to be a consequence of potassium oleate or NaPAA adsorption on the hard surface as well as on the CaCO3 crystal surfaces. Here, the polymer NaPAA exhibited a stronger inhibition effect on the formation and growth of CaCO3 particles than potassium oleate.

Surface determinants of low density lipoprotein uptake by endothelial cells

International Nuclear Information System (INIS)

Goeroeg, P.; Pearson, J.D.

1984-01-01

The surface sialic acid content of aortic endothelial cells in vitro was substantially lower in sparse cultures than at confluence. Binding of LDL to endothelial cells did not change at different culture densities and was unaffected by brief pretreatment with neuraminidase to partially remove surface sialic acid residues. In contrast, internalisation of LDL declined by a factor of 3 between low density cell cultures and confluent monolayers; neuraminidase pretreatment increased LDL uptake and the effect was most marked (>10-fold) at confluence. Pretreatment with cationised ferritin, which removed most of the surface sialic acid residues as well as glycosaminoglycans, increased LDL internalisation by up to 20-fold, again with most effect on confluent monolayers. Thus LDL uptake is inversely correlated with sialic acid content. We conclude that changes in the surface density of sialic acid (and possibly other charged) residues significantly modulate endothelial LDL uptake, and suggest that focal increases in LDL accumulation during atherogenesis may be related to alterations in endothelial endocytic properties at sites of increased cell turnover or damage. (author)

Surface radiant flux densities inferred from LAC and GAC AVHRR data

Science.gov (United States)

Berger, F.; Klaes, D.

To infer surface radiant flux densities from current (NOAA-AVHRR, ERS-1/2 ATSR) and future meteorological (Envisat AATSR, MSG, METOP) satellite data, the complex, modular analysis scheme SESAT (Strahlungs- und Energieflüsse aus Satellitendaten) could be developed (Berger, 2001). This scheme allows the determination of cloud types, optical and microphysical cloud properties as well as surface and TOA radiant flux densities. After testing of SESAT in Central Europe and the Baltic Sea catchment (more than 400scenes U including a detailed validation with various surface measurements) it could be applied to a large number of NOAA-16 AVHRR overpasses covering the globe.For the analysis, two different spatial resolutions U local area coverage (LAC) andwere considered. Therefore, all inferred results, like global area coverage (GAC) U cloud cover, cloud properties and radiant properties, could be intercompared. Specific emphasis could be made to the surface radiant flux densities (all radiative balance compoments), where results for different regions, like Southern America, Southern Africa, Northern America, Europe, and Indonesia, will be presented. Applying SESAT, energy flux densities, like latent and sensible heat flux densities could also be determined additionally. A statistical analysis of all results including a detailed discussion for the two spatial resolutions will close this study.

Dynamics and diffusive-conformational coupling in polymer bulk samples and surfaces: a molecular dynamics study

International Nuclear Information System (INIS)

Vree, C; Mayr, S G

2010-01-01

The impact of free surfaces on the mobility and conformational fluctuations of model polymer chains is investigated with the help of classical molecular dynamics simulations over a broad temperature range. Below a critical temperature, T*, similar to the critical temperature of the mode coupling theory, the center-of-mass displacements and temporal fluctuations of the radius of gyration of individual chains-as a fingerprint of structural reconfigurations-reveal a strong enhancement close to surfaces, while this effect diminishes with increasing temperature and observation time. Interpreting conformational fluctuations as a random walk in conformational space, identical activation enthalpies for structural reconfigurations and diffusion are obtained within the error bars in the bulk and at the surfaces, thus indicating a coupling of diffusive and conformational dynamics.

Bulk and surface band structure of the new family of semiconductors BiTeX (X=I, Br, Cl)

International Nuclear Information System (INIS)

Moreschini, L.; Autès, G.; Crepaldi, A.; Moser, S.; Johannsen, J.C.; Kim, K.S.; Berger, H.; Bugnon, Ph.; Magrez, A.; Denlinger, J.; Rotenberg, E.; Bostwick, A.; Yazyev, O.V.

2015-01-01

Highlights: • We provide an ARPES comparison between the three tellurohalides BiTeX (X = I, Br, Cl). • They present a similar band structure with namely spin-split bulk and surface states. • They offer, except for BiTeCl, the possibility of ambipolar conduction. • They can be easily doped. • From the data appeared so far, BiTeBr may be the most appealing for applications. - Abstract: We present an overview of the new family of semiconductors BiTeX (X = I, Br, Cl) from the perspective of angle resolved photoemission spectroscopy. The strong band bending occurring at the surface potentially endows them with a large flexibility, as they are capable of hosting both hole and electron conduction, and can be modified by inclusion or adsorption of foreign atoms. In addition, their trigonal crystal structure lacks a center of symmetry and allows for both bulk and surface spin-split bands at the Fermi level. We elucidate analogies and differences among the three materials, also in the light of recent theoretical and experimental work

Quantum information aspects on bulk and nano interacting Fermi system: A spin-space density matrix approach

Energy Technology Data Exchange (ETDEWEB)

Afzali, R., E-mail: afzali@kntu.ac.ir [Department of Physics, K. N. Toosi University of Technology, Tehran, 15418 (Iran, Islamic Republic of); Ebrahimian, N., E-mail: n.ebrahimian@shahed.ac.ir [Department of Physics, Faculty of Basic Sciences, Shahed University, Tehran, 18155-159 (Iran, Islamic Republic of); Eghbalifar, B., E-mail: b.eghbali2011@yahoo.com [Department of Agricultural Management, Marvdasht Branch, Azad University, Marvdasht (Iran, Islamic Republic of)

2016-10-07

Highlights: • In contrast to a s-wave superconductor, the quantum correlation of the d-wave superconductor is sensitive to the change of the gap magnitude. • Quantum discord of the d-wave superconductor oscillates. • Quantum discord becomes zero at a characteristic length of the d-wave superconductor. • Quantum correlation strongly depends on the length of grain. Length of the superconductor lower, the quantum correlation length higher. • Quantum tripartite entanglement for a nano-scale d-wave superconductor is better than for a bulk d-wave superconductor. - Abstract: By approximating the energy gap, entering nano-size effect via gap fluctuation and calculating the Green's functions and the space-spin density matrix, the dependence of quantum correlation (entanglement, discord and tripartite entanglement) on the relative distance of two electron spins forming Cooper pairs, the energy gap and the length of bulk and nano interacting Fermi system (a nodal d-wave superconductor) is determined. In contrast to a s-wave superconductor, quantum correlation of the system is sensitive to the change of the gap magnitude and strongly depends on the length of the grain. Also, quantum discord oscillates. Furthermore, the entanglement length and the correlation length are investigated. Discord becomes zero at a characteristic length of the d-wave superconductor.

Density functional study of BiSbTeSe{sub 2} topological insulator thin films

Energy Technology Data Exchange (ETDEWEB)

Mohammadpourrad, Zahra; Abolhassani, Mohammadreza [Department of Physics, Science and Research Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of)

2017-08-15

In this work, using density functional theory calculations, we have investigated the band topology of bulk BiSbTeSe{sub 2} and its thin film electronic properties in several thicknesses. It is one member of the quaternary compounds Bi{sub 2-x}Sb{sub x}Te{sub 3-y}Se{sub y} (BSTS) with the best intrinsic bulk insulating behavior. Based on our calculations we have found that a band inversion at Γ-point is induced when spin-orbit coupling is turned on, with an energy gap of about 0.318 eV. The film thickness has an effect on the surface states such that a gap opens at Dirac point in 6 quintuple-layers film and with decrease in thickness, the magnitude of the gap increases. The atomic contributions have been mapped out for the first few layers of thin films to demonstrate the surface states. The relative charge density has been calculated layer-wise and the penetration depth of the surface states into the bulk region is found to be about 2.5-3.5 quintuple layers, depending on the termination species of thin films. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

Science.gov (United States)

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.

An interface energy density-based theory considering the coherent interface effect in nanomaterials

Science.gov (United States)

Yao, Yin; Chen, Shaohua; Fang, Daining

2017-02-01

To characterize the coherent interface effect conveniently and feasibly in nanomaterials, a continuum theory is proposed that is based on the concept of the interface free energy density, which is a dominant factor affecting the mechanical properties of the coherent interface in materials of all scales. The effect of the residual strain caused by self-relaxation and the lattice misfit of nanomaterials, as well as that due to the interface deformation induced by an external load on the interface free energy density is considered. In contrast to the existing theories, the stress discontinuity at the interface is characterized by the interface free energy density through an interface-induced traction. As a result, the interface elastic constant introduced in previous theories, which is not easy to determine precisely, is avoided in the present theory. Only the surface energy density of the bulk materials forming the interface, the relaxation parameter induced by surface relaxation, and the mismatch parameter for forming a coherent interface between the two surfaces are involved. All the related parameters are far easier to determine than the interface elastic constants. The effective bulk and shear moduli of a nanoparticle-reinforced nanocomposite are predicted using the proposed theory. Closed-form solutions are achieved, demonstrating the feasibility and convenience of the proposed model for predicting the interface effect in nanomaterials.

Magnetic levitation force between a superconducting bulk magnet and a permanent magnet

International Nuclear Information System (INIS)

Wang, J J; He, C Y; Meng, L F; Li, C; Han, R S; Gao, Z X

2003-01-01

The current density J(ρ, z) in a disc-shaped superconducting bulk magnet and the magnetic levitation force F SBM z exerted on the superconducting bulk magnet by a cylindrical permanent magnet are calculated from first principles. The effect of the superconducting parameters of the superconducting bulk is taken into account by assuming the voltage-current law E = E c (J/J c ) n and the material law B = μ 0 H. The magnetic levitation force F SBM z is dominated by the remnant current density J' 2 (ρ, z), which is induced by switching off the applied magnetizing field. High critical current density and flux creep exponent may increase the magnetic levitation force F SBM z . Large volume and high aspect ratio of the superconducting bulk can further enhance the magnetic levitation force F SBM z

Surface and bulk electronic structures of unintentionally and Mg-doped In0.7Ga0.3N epilayer by hard X-ray photoelectron spectroscopy

Science.gov (United States)

Imura, Masataka; Tsuda, Shunsuke; Takeda, Hiroyuki; Nagata, Takahiro; Banal, Ryan G.; Yoshikawa, Hideki; Yang, AnLi; Yamashita, Yoshiyuki; Kobayashi, Keisuke; Koide, Yasuo; Yamaguchi, Tomohiro; Kaneko, Masamitsu; Uematsu, Nao; Wang, Ke; Araki, Tsutomu; Nanishi, Yasushi

2018-03-01

The surface and bulk electronic structures of In0.7Ga0.3N epilayers are investigated by angle-resolved hard X-ray photoelectron spectroscopy (HX-PES) combined with soft X-PES. The unintentionally and Mg-doped In0.7Ga0.3N (u-In0.7Ga0.3N and In0.7Ga0.3N:Mg, respectively) epilayers are grown by radio-frequency plasma-assisted molecular beam epitaxy. Here three samples with different Mg concentrations ([Mg] = 0, 7 × 1019, and 4 × 1020 cm-3) are chosen for comparison. It is found that a large downward energy band bending exists in all samples due to the formation of a surface electron accumulation (SEA) layer. For u-In0.7Ga0.3N epilayer, band bending as large as 0.8 ± 0.05 eV occurs from bulk to surface. Judged from the valence band spectral edge and numerical analysis of energy band with a surface quantum well, the valence band maximum (VBM) with respect to Fermi energy (EF) level in the bulk is determined to be 1.22 ± 0.05 eV. In contrast, for In0.7Ga0.3N:Mg epilayers, the band bending increases and the VBM only in the bulk tends to shift toward the EF level owing to the Mg acceptor doping. Hence, the energy band is considered to exhibit a downward bending structure due to the coexistence of the n+ SEA layer and Mg-doped p layer formed in the bulk. When [Mg] changes from 7 × 1019 to 4 × 1020 cm-3, the peak split occurs in HX-PES spectra under the bulk sensitive condition. This result indicates that the energy band forms an anomalous downward bending structure with a singular point due to the generation of a thin depleted region at the n+ p interface. For In0.7Ga0.3N:Mg epilayers, the VBM in the bulk is assumed to be slightly lower than EF level within 0.1 eV.

First bulk and surface results for the ATLAS ITk stereo annulus sensors

CERN Document Server

Abidi, Syed Haider; The ATLAS collaboration; Bohm, Jan; Botte, James Michael; Ciungu, Bianca; Dette, Karola; Dolezal, Zdenek; Escobar, Carlos; Fadeyev, Vitaliy; Fernandez-Tejero, Xavi; Garcia-Argos, Carlos; Gillberg, Dag; Hara, Kazuhiko; Hunter, Robert Francis Holub

2018-01-01

A novel microstrip sensor geometry, the “stereo annulus”, has been developed for use in the end-cap of the ATLAS experiment’s strip tracker upgrade at the High-Luminosity Large Hadron Collider (HL- LHC). The radiation-hard, single-sided, ac-coupled, n + -in-p microstrip sensors are designed by the ITk Strip Sensor Collaboration and produced by Hamamatsu Photonics. The stereo annulus design has the potential to revolutionize the layout of end-cap microstrip trackers promising better tracking performance and more complete coverage than the contemporary configurations. These advantages are achieved by the union of equal length, radially oriented strips with a small stereo angle implemented directly into the sensor surface. The first-ever results for the stereo annulus geometry have been collected across several sites world- wide and are presented here. A number of full-size, unirradiated sensors were evaluated for their mechanical, bulk, and surface properties. The new device, the ATLAS12EC, is compared ag...

The wetting of planar solid surfaces by symmetric binary mixtures near bulk gas-liquid coexistence

International Nuclear Information System (INIS)

Woywod, Dirk; Schoen, Martin

2004-01-01

We investigate the wetting of planar, nonselective solid substrates by symmetric binary mixtures where the attraction strength between like molecules of components A and B is the same, that is ε AA ε BB AB vertical bar ≤ vertical bar ε AA vertical bar, that is by varying the attraction between a pair of unlike molecules. By means of mean-field lattice density functional calculations we observe a rich wetting behaviour as a result of the interplay between ε AB and the attraction of fluid molecules by the solid substrate ε W . In accord with previous studies we observe complete wetting only above the critical end point if the bulk mixture exhibits a moderate to weak tendency to liquid-liquid phase separation even for relatively strong fluid-substrate attraction. However, in this case layering transitions may arise below the temperature of the critical end point. For strongly phase separating mixtures complete wetting is observed for all temperatures T ≥0 along the line of discontinuous phase transitions in the bulk

Pentacene Multilayers On Ag(111) Surface

International Nuclear Information System (INIS)

Mete, E.

2010-01-01

The structural profiles and electronic properties of pentacene (C 2 2H 1 4) multilayers on Ag(111) surface has been studied within the density functional theory (DFT) framework. We have performed first-principle total energy calculations based on the projector augmented wave (PAW) method to investigate the initial growth patterns of pentacene (Pn) on Ag(111) surface. In its bulk phase, pentacene crystallizes with a triclinic symmetry while a thin film phase having an orthorhombic unit cell is energetically less favorable by 0.12 eV/cell. Pentacene prefers to stay planar on Ag(111) surface and aligns perfectly along lattice vector (1,-1,0) without any molecular deformation at a height of 3.9 angstroms. At one monolayer (ML) coverage the separation between the molecular layer and the surface plane extends to 4.1 angstroms due to intermolecular interactions weakening surface-pentacene attraction. While the first ML remains flat, the molecules on a second full pentacene layer deposited on the surface rearrange so that they become skewed with respect to each other. This adsorption mode is energetically more preferable than the one for which the molecules form a flat pentacene layer by an energy difference similar to that obtained for bulk and thin film phases. Moreover, as new layers added, pentacenes assemble to maintain this skewness for 3 and 4 ML similar to its bulk phase while the first ML always remains flat. Therefore, our calculations indicate bulk-like initial stages for the growth pattern.

Combined Bulk and Surface Radiation Damage Effects at Very High Fluences in Silicon Detectors: Measurements and TCAD Simulations

CERN Document Server

Moscatelli, F; Morozzi, A; Mendicino, R; Dalla Betta, G F; Bilei, G M

2016-01-01

In this work we propose a new combined TCAD radiation damage modelling scheme, featuring both bulk and surface radiation damage effects, for the analysis of silicon detectors aimed at the High Luminosity LHC. In particular, a surface damage model has been developed by introducing the relevant parameters (NOX, NIT) extracted from experimental measurements carried out on p-type substrate test structures after gamma irradiations at doses in the range 10-500 Mrad(Si). An extended bulk model, by considering impact ionization and deep-level cross-sections variation, was included as well. The model has been validated through the comparison of the simulation findings with experimental measurements carried out at very high fluences (2×1016 1 MeV equivalent n/cm2) thus fostering the application of this TCAD approach for the design and optimization of the new generation of silicon detectors to be used in future HEP experiments.

Determination of surface recombination velocity and bulk lifetime in detector grade silicon and germanium crystals

International Nuclear Information System (INIS)

Derhacobian, N.; Fine, P.; Walton, J.T.; Wong, Y.K.; Rossington, C.S.; Luke, P.N.

1993-10-01

Utility of a noncontact photoconductive decay (PCD) technique is demonstrated in measuring bulk lifetime, τ B , and surface recombination velocity, S, in detector grade silicon and germanium crystals. We show that the simple analytical equations which relate the observed effective lifetimes in PCD transients to τ B and S have a limited range of applicability. The noncontact PCD technique is used to determine the effect of several surface treatments on the observed effective lifetimes in Si and Ge. A degradation of the effective lifetime in Si is reported as result of the growth of a thin layer of native oxide at room temperature under atmospheric conditions

Bond-diluted interface between semi-infinite Potts bulks: criticality

International Nuclear Information System (INIS)

Cavalcanti, S.B.; Tsallis, C.

1986-01-01

Within a real space renormalisation group framework, we discuss the criticality of a system constituted by two (not necessarily equal) semi-infinite ferromagnetic q-state Potts bulks separated by an interface. This interface is a bond-diluted Potts ferromagnet with a coupling constant which is in general different from those of both bulks. The phase diagram presents four physically different phases, namely the paramagnetic one, and the surface, single bulk and double bulk ferromagnetic ones. These various phases determine a multicritical surface which contains a higher order multicritical line. The critical concentration P c that is the concentration of the interface bonds which surface magnetic ordering is possible even if the bulks are disordered. An interesting feature comes out which is that P c varies continuously with J 1 /J s and J 2 /J s . The standard two-dimensional percolation concentration is recovered for J 1 =J 2 =0. (author) [pt

Melt-growth bulk superconductors and application to an axial-gap-type rotating machine

International Nuclear Information System (INIS)

Zhang, Yufeng; Zhou, Difan; Ida, Tetsuya; Miki, Motohiro; Izumi, Mitsuru

2016-01-01

The present manuscript addresses key issues in the course of our study of materials processing of bulk high-temperature superconductors, trapped flux and its application to a prototype axial-gap-type rotating machine. The TUMSAT group has conducted a series of studies since 2003 on the growth of GdBa 2 Cu 3 O 7−δ bulk material and its application in a compact low-speed high-torque rotating machine. In the stage of material growth, gaining the advantage of a large motive torque density requires large integrated flux in the motor/generators. A large grain surface might be required with sophisticated techniques for the melt-growth texture in the bulk with optimal flux pinning. In the second stage, the in situ magnetization procedure for bulk superconductors in the applied machine is a crucial part of the technology. Pulsed current excitation by using an armature copper winding has magnetized field pole bulks on the rotor. The axial-gap flux synchronous machine studied in the past decade is a condensed technology and indicates that further scientific development is required for a future compact machine to be superior to conventional ones in accordance with the cryogenic periphery and flux stabilization. (paper)

Mapping surface charge density of lipid bilayers by quantitative surface conductivity microscopy

DEFF Research Database (Denmark)

Klausen, Lasse Hyldgaard; Fuhs, Thomas; Dong, Mingdong

2016-01-01

Local surface charge density of lipid membranes influences membrane-protein interactions leading to distinct functions in all living cells, and it is a vital parameter in understanding membrane-binding mechanisms, liposome design and drug delivery. Despite the significance, no method has so far...

Stratified turbulent Bunsen flames : flame surface analysis and flame surface density modelling

NARCIS (Netherlands)

Ramaekers, W.J.S.; Oijen, van J.A.; Goey, de L.P.H.

2012-01-01

In this paper it is investigated whether the Flame Surface Density (FSD) model, developed for turbulent premixed combustion, is also applicable to stratified flames. Direct Numerical Simulations (DNS) of turbulent stratified Bunsen flames have been carried out, using the Flamelet Generated Manifold

Characterization of surface charge and mechanical properties of chitosan/alginate based biomaterials

International Nuclear Information System (INIS)

Verma, Devendra; Desai, Malav S.; Kulkarni, Namrata; Langrana, Noshir

2011-01-01

This study aims to examine mechanical properties and surface charge characteristics of chitosan/alginate-based films for biomedical applications. By varying the concentrations of chitosan and alginate, we have developed films with varying surface charge densities and mechanical characteristics. The surface charge densities of these films were determined by applying an analytical model on force curves derived from an atomic force microscope (AFM). The average surface charge densities of films containing 60% chitosan and 80% chitosan were found to be - 0.46 mC/m 2 and - 0.32 mC/m 2 , respectively. The surface charge density of 90% chitosan containing films was found to be neutral. The elastic moduli and the water content were found to be decreasing with increasing chitosan concentration. The films with 60%, 80% and 90% chitosan gained 93.5 ± 6.6%, 217.1 ± 22.1% and 396.8 ± 67.5% of their initial weight, respectively. Their elastic moduli were found to be 2.6 ± 0.14 MPa, 1.9 ± 0.27 MPa and 0.93 ± 0.12 MPa, respectively. The trend observed in the mechanical response of these films has been attributed to the combined effect of the concentration of polyelectrolyte complexes (PEC) and the amount of water absorbed. The Fourier transform infrared spectroscopy experiments indicate the presence of higher alginate on the surface of the films compared to the bulk in all films. The presence of higher alginate on surface is consistent with negative surface charge densities of these films, determined from AFM experiments. Highlights: → Chitosan/alginate based fibrous polyelectrolyte complex films were developed. → The average surface charge density of the films was determined using AFM. → Elastic modulus of the films increased with increase in PEC content. → FTIR analysis indicated higher alginate content on surface compared to bulk.

Dispersion and energy conservation relations of surface waves in semi-infinite plasma

International Nuclear Information System (INIS)

Atanassov, V.

1981-01-01

The hydrodynamic theory of surface wave propagation in semi-infinite homogeneous isotropic plasma is considered. Explicit linear surface wave solutions are given for the electric and magnetic fields, charge and current densities. These solutions are used to obtain the well-known dispersion relations and, together with the general energy conservation equation, to find appropriate definitions for the energy and the energy flow densities of surface waves. These densities are associated with the dispersion relation and the group velocity by formulae similar to those for bulk waves in infinite plasmas. Both cases of high-frequency (HF) and low-frequency (LF) surface waves are considered. (author)

Bulk coolant cavitation in LMFBR containment loading following a whole-core explosion

International Nuclear Information System (INIS)

Jones, A.V.

1977-01-01

An LMFBR core undergoing an explosion transmits energy to the containment in a series of pressure waves and the containment loading is determined by their cumulative effect. These pressure waves are modified by their interaction with the coolant through which they propagate. It is necessary to model both the induction of bulk cavitation by tension waves and the interaction of pressure waves with cavitated liquid in realistic containment loading calculations. This paper sets out the progress which has been achieved in such modelling and first indications for the effect of bulk coolant cavitation in LMFBR containment loading. Conclusions may be briefly summarised: 1) Bulk cavitation must be included in realistic containment loading calculations. 2) Phenomenological models of cavitated liquid without memory are inappropriate. The best approach is to model bubble dynamics directly, including at least momentum conservation and surface tension. 3) The containment loading resulting from a given explosion is sensitive to the state of preparation of the coolant. The number density of nucleation sites should therfore accompany the results of model tests. (Auth.)

Magnetic levitation force between a superconducting bulk magnet and a permanent magnet

Energy Technology Data Exchange (ETDEWEB)

Wang, J J; He, C Y; Meng, L F; Li, C; Han, R S; Gao, Z X [Department of Physics, Key Laboratory for Artificial Microstructure and Mesoscopic Physics, Peking University, Beijing 100871 (China)

2003-04-01

The current density J({rho}, z) in a disc-shaped superconducting bulk magnet and the magnetic levitation force F{sup SBM}{sub z} exerted on the superconducting bulk magnet by a cylindrical permanent magnet are calculated from first principles. The effect of the superconducting parameters of the superconducting bulk is taken into account by assuming the voltage-current law E = E{sub c}(J/J{sub c}){sup n} and the material law B = {mu}{sub 0}H. The magnetic levitation force F{sup SBM}{sub z} is dominated by the remnant current density J'{sub 2}({rho}, z), which is induced by switching off the applied magnetizing field. High critical current density and flux creep exponent may increase the magnetic levitation force F{sup SBM}{sub z}. Large volume and high aspect ratio of the superconducting bulk can further enhance the magnetic levitation force F{sup SBM}{sub z}.

Quantized layer growth at liquid-crystal surfaces

DEFF Research Database (Denmark)

Ocko, B. M.; Braslau, A.; Pershan, P. S.

1986-01-01

of the specular reflectivity is consistent with a sinusoidal density modulation, starting at the surface and terminating abruptly, after an integral number of bilayers. As the transition is approached the number of layers increases in quantized steps from zero to five before the bulk undergoes a first...

Superior critical current density obtained in MgB_2 bulks via employing carbon-coated boron and minor Cu addition

International Nuclear Information System (INIS)

Peng, Junming; Liu, Yongchang; Ma, Zongqing; Shahriar Al Hossain, M.; Xin, Ying; Jin, Jianxun

2016-01-01

Highlights: • Usage of carbon-coated boron leads to high level of homogeneous carbon doping. • Cu addition improves MgB_2 grain connectivity, leading to higher J_c at low fields. • Cu addition reduces MgO impurity, also contributing to the improvement of J_c. - Abstract: High performance Cu doped MgB_2 bulks were prepared by an in-situ method with carbon-coated amorphous boron as precursor. It was found that the usage of carbon-coated boron in present work leads to the formation of uniformly refined MgB_2 grains, as well as a high level of homogeneous carbon doping in the MgB_2 samples, which significantly enhance the J_c in both Cu doped and undoped bulks compared to MgB_2 bulks with normal amorphous boron precursor. Moreover, minor Cu can service as activator, and thus facilitates the growth of MgB_2 grains and improves crystallinity and grain connectivity, which can bring about the excellent critical current density (J_c) at self fields and low fields (the best values are 7 × 10"5 A/cm"2 at self fields, and 1 × 10"5 A/cm"2 at 2 T, 20 K, respectively). Simultaneously, minor Cu addition can reduce the amount of MgO impurity significantly, also contributing to the improvement of J_c at low fields. Our work suggests that Cu-activated sintering combined with employment of carbon-coated amorphous boron as precursor could be a promising technique to produce practical MgB_2 bulks or wires with excellent J_c on an industrial scale.

An analytical solution to calculate bulk mole fractions for any number of components in aerosol droplets after considering partitioning to a surface layer

Directory of Open Access Journals (Sweden)

D. Topping

2010-11-01

Full Text Available Calculating the equilibrium composition of atmospheric aerosol particles, using all variations of Köhler theory, has largely assumed that the total solute concentrations define both the water activity and surface tension. Recently however, bulk to surface phase partitioning has been postulated as a process which significantly alters the predicted point of activation. In this paper, an analytical solution to calculate the removal of material from a bulk to a surface layer in aerosol particles has been derived using a well established and validated surface tension framework. The applicability to an unlimited number of components is possible via reliance on data from each binary system. Whilst assumptions regarding behaviour at the surface layer have been made to facilitate derivation, it is proposed that the framework presented can capture the overall impact of bulk-surface partitioning. Demonstrations of the equations for two and five component mixtures are given while comparisons are made with more detailed frameworks capable at modelling ternary systems at higher levels of complexity. Predictions made by the model across a range of surface active properties should be tested against measurements. Indeed, reccomendations are given for experimental validation and to assess sensitivities to accuracy and required level of complexity within large scale frameworks. Importantly, the computational efficiency of using the solution presented in this paper is roughly a factor of 20 less than a similar iterative approach, a comparison with highly coupled approaches not available beyond a 3 component system.

Simultaneous bulk density and soil moisture determination by attenuation of 137 Cs and 241 Am

International Nuclear Information System (INIS)

Barros Ferraz, E.S. de.

1974-01-01

The method of simultaneous bulk density and soil moisture determination by attenuation of 241 Am and 137 Cs gamma-radiation is introduced and studied with detail. Theoretical considerations are made about the attenuation process in the absorbers, the form of solving the problem of two unknowns, the sensitivity of the method the influences of the resolution time of the electronic counting equipment, and of the Compton scattering in the sample. From the methodological point of view studies are made about the influence of the geometry, adjustment of counting system, choice of radiation sources, attenuation coefficient and the manner of obtaining reliable measurements. Data obtained are analysed, discussed and compared with those found in the literature. Finally the author presents some applications of the method, its use in soil-water movement studies, in soil profile compaction studies, and specially in swelling soils. (author)

Measurement of the magnetic field inside the holes of a drilled bulk high-Tc superconductor

Science.gov (United States)

Lousberg, Gregory P.; Fagnard, Jean-François; Noudem, Jacques G.; Ausloos, Marcel; Vanderheyden, Benoit; Vanderbemden, Philippe

2009-04-01

We use macroscopic holes drilled in a bulk YBCO superconductor to probe its magnetic properties in the volume of the sample. The sample is subjected to an AC magnetic flux with a density ranging from 30 to 130 mT and the flux in the superconductor is probed by miniature coils inserted in the holes. In a given hole, three different penetration regimes can be observed: (i) the shielded regime, where no magnetic flux threads the hole; (ii) the gradual penetration regime, where the waveform of the magnetic field has a clipped sine shape whose fundamental component scales with the applied field; and (iii) the flux concentration regime, where the waveform of the magnetic field is nearly a sine wave, with an amplitude exceeding that of the applied field by up to a factor of two. The distribution of the penetration regimes in the holes is compared with that of the magnetic flux density at the top and bottom surfaces of the sample, and is interpreted with the help of optical polarized light micrographs of these surfaces. We show that the measurement of the magnetic field inside the holes can be used as a local characterization of the bulk magnetic properties of the sample.

Exact analytical density profiles and surface tension

Indian Academy of Sciences (India)

journal of. May 2005 physics pp. 785–801. Classical charged fluids at equilibrium near ... is provided by the excess surface tension for an air–water interface, which is determined ... the potential drop created by the electric layer which appears as soon as the fluid has ...... radii, by symmetry, the charge density profile is flat,.

Nitride surface passivation of GaAs nanowires: impact on surface state density.

Science.gov (United States)

Alekseev, Prokhor A; Dunaevskiy, Mikhail S; Ulin, Vladimir P; Lvova, Tatiana V; Filatov, Dmitriy O; Nezhdanov, Alexey V; Mashin, Aleksander I; Berkovits, Vladimir L

2015-01-14

Surface nitridation by hydrazine-sulfide solution, which is known to produce surface passivation of GaAs crystals, was applied to GaAs nanowires (NWs). We studied the effect of nitridation on conductivity and microphotoluminescence (μ-PL) of individual GaAs NWs using conductive atomic force microscopy (CAFM) and confocal luminescent microscopy (CLM), respectively. Nitridation is found to produce an essential increase in the NW conductivity and the μ-PL intensity as well evidence of surface passivation. Estimations show that the nitride passivation reduces the surface state density by a factor of 6, which is of the same order as that found for GaAs/AlGaAs nanowires. The effects of the nitride passivation are also stable under atmospheric ambient conditions for six months.

Quantitative surface studies of protein adsorption by infrared spectroscopy. II. Quantification of adsorbed and bulk proteins

International Nuclear Information System (INIS)

Fink, D.J.; Hutson, T.B.; Chittur, K.K.; Gendreau, R.M.

1987-01-01

Attenuated total reflectance Fourier transform infrared spectra of surface-adsorbed proteins are correlated with concentration measurements determined by 125 I-labeled proteins. This paper demonstrates that linear correlations between the intensity of the major bands of proteins and the quantity of proteins can be obtained for human albumin and immunoglobulin G up to surface concentrations of approximately 0.25 microgram/cm2. A poorer correlation was observed for human fibrinogen. A linear correlation was also observed between the concentration in the bulk solution and the major bands of albumin up to a concentration of 60 mg/ml

Surface pH controls purple-to-blue transition of bacteriorhodopsin. A theoretical model of purple membrane surface

OpenAIRE

Szundi, I.; Stoeckenius, W.

1989-01-01

We have developed a surface model of purple membrane and applied it in an analysis of the purple-to-blue color change of bacteriorhodopsin which is induced by acidification or deionization. The model is based on dissociation and double layer theory and the known membrane structure. We calculated surface pH, ion concentrations, charge density, and potential as a function of bulk pH and concentration of mono- and divalent cations. At low salt concentrations, the surface pH is significantly lowe...

Bulk Soil Organic Matter d2H as a Precipitation Proxy

Science.gov (United States)

Williams, E. K.; Terwilliger, V. J.; Nakamoto, B. J.; Berhe, A. A.; Fogel, M. L.

2016-12-01

The stable hydrogen isotopic composition (d2H) of leaf waxes have traditionally been used to infer modern and paleoclimate precipitation sources. However, the extent to which evapotranspiration of leaf waters affects the d2H of plant leaf waxes remains hotly contested with offsets varying between species. Because of the relative importance of root organic matter contribution to bulk soil pools compared to litter/leaves and the minimal fractionation between soil water and root material, it is plausible that bulk soil organic matter d2H may be an option for modern and paleoclimate precipitation reconstructions. In this study, we analyzed the non-exchangeable d2H composition of roots, litter, leaves, and bulk soils along an elevation gradient in the southern Sierra Nevada range (USA). Our results show a consistent offset of 30 ± 3‰ in bulk soil organic matter in surface soils from the measured precipitation. This consistent relationship with precipitation was not found in any of the other organic materials that we measured and implies that d2H bulk soil organic matter can record precipitation signals regardless of above-ground species composition. Additionally, we utilized physical density fractionation to determine which fractions (which vary in level of mineral association and in turnover time) of the soil control this relationship. These findings and how this relationship holds with depth will be presented in conjunction with data from a soil profile on the Ethiopian plateau spanning 6000 years.

Improving the Accuracy of Satellite Sea Surface Temperature Measurements by Explicitly Accounting for the Bulk-Skin Temperature Difference

Science.gov (United States)

Castro, Sandra L.; Emery, William J.

2002-01-01

The focus of this research was to determine whether the accuracy of satellite measurements of sea surface temperature (SST) could be improved by explicitly accounting for the complex temperature gradients at the surface of the ocean associated with the cool skin and diurnal warm layers. To achieve this goal, work centered on the development and deployment of low-cost infrared radiometers to enable the direct validation of satellite measurements of skin temperature. During this one year grant, design and construction of an improved infrared radiometer was completed and testing was initiated. In addition, development of an improved parametric model for the bulk-skin temperature difference was completed using data from the previous version of the radiometer. This model will comprise a key component of an improved procedure for estimating the bulk SST from satellites. The results comprised a significant portion of the Ph.D. thesis completed by one graduate student and they are currently being converted into a journal publication.

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

Science.gov (United States)

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

2018-06-01

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

Dynamics of cyanophenyl alkylbenzoate molecules in the bulk and in a surface layer adsorbed onto aerosil. Variation of the lengths of the alkyl chain

Energy Technology Data Exchange (ETDEWEB)

Frunza, Stefan [National Institute of Materials Physics, R-077125 Magurele (Romania); Schoenhals, Andreas [BAM Federal Institute of Materials Research and Testing, D-12205 Berlin (Germany); Frunza, Ligia, E-mail: lfrunza@infim.ro [National Institute of Materials Physics, R-077125 Magurele (Romania); Beica, Traian; Zgura, Irina; Ganea, Paul [National Institute of Materials Physics, R-077125 Magurele (Romania); Stoenescu, Daniel [Telecom-Bretagne, Departement d' Optique, Technopole Brest-Iroise 29238 Cedex (France)

2010-06-16

Graphical abstract: The temperature dependence of the molecular mobility in composites shows an Arrhenius-type regime at low temperature and a glassy-type one at higher temperature separated by a crossover phenomenon. - Abstract: The molecular mobility of 4-butyl- and 4-pentyl-4'-cyanophenyl benzoate (CP4B, CP5B) and their composites prepared from aerosil A380 was investigated by broadband dielectric spectroscopy in a large temperature range. Thermogravimetric and infrared investigations were additionally performed. High silica density (larger than 7 g aerosil/1 g of liquid crystal) was selected to observe a thin layer adsorbed on the surface of the silica particles. The data were compared with those of the member of the series with six carbon atoms in the alkyl tail. Bulk CP4B and CP5B show the dielectric behaviour expected for liquid crystals. For the composites one relaxation process is observed at frequencies much lower than those for the corresponding bulk, which was assigned to the dynamics of the molecules in a surface layer. The temperature dependence of the relaxation rates (and of the dielectric strength) shows a crossover behaviour with two distinguished regimes. At higher temperatures the data obey the Vogel-Fulcher-Tammann law, whereas an Arrhenius law is observed at lower temperature, in a close similarity to the behaviour of a constrained dynamic glass transition. The estimated Vogel and crossover temperature is independent on the tail length, while the activation energy for the low temperature branch increases weakly with increasing the alkyl tail.

Effect of physisorbed molecules and an external external fields on the metallic Shockley surface state of Cu(111): A density functional theory study

Science.gov (United States)

Berland, Kristian; Einstein, T. L.; Hyldgaard, Per

2012-02-01

To manipulate the Cu(111) partially-filled Shockley surface state, we study its response to an external fieldootnotetextKB, TLE, PH; arXiv 1109:6706 E and physisorbed PAHs and quinone molecules. We use density-functional theory calculations with periodic-boundary conditions. The van der Waals density functional version vdW-DF2 accounts for the molecular adsorption. The issue that the Kohn-Sham wave functions couple to both sides of the Cu slab is handled with a decoupling scheme based on a rotation in Hilbert space. A convergence study reveals that to obtain a proper Shockley surface state, 6 Cu layers is sufficient, while 15 is optimal. We use 6 layers for the response to the molecules and 15 to external field. We find that the surface state displays isotropic dispersion (up to order k^6), free-electron like until the Fermi wave vector but with a significant quartic component beyond. The shift in band minimum and effective mass depend linearly on E, with a smaller fractional change in the latter. Charge transfer occurs beyond the outermost copper atoms, and most of the screening is due to bulk electrons. We find that the molecular physisorption increases the band minimum, with the effect the of a quinone being much stronger than the corresponding PAH.

Power Spectral Density Evaluation of Laser Milled Surfaces

Directory of Open Access Journals (Sweden)

Raoul-Amadeus Lorbeer

2017-12-01

Full Text Available Ablating surfaces with a pulsed laser system in milling processes often leads to surface changes depending on the milling depth. Especially if a constant surface roughness and evenness is essential to the process, structural degradation may advance until the process fails. The process investigated is the generation of precise thrust by laser ablation. Here, it is essential to predict or rather control the evolution of the surfaces roughness. Laser ablative milling with a short pulse laser system in vacuum (≈1 Pa were performed over depths of several 10 µm documenting the evolution of surface roughness and unevenness with a white light interference microscope. Power spectral density analysis of the generated surface data reveals a strong influence of the crystalline structure of the solid. Furthermore, it was possible to demonstrate that this effect could be suppressed for gold.

Bulk solitary waves in elastic solids

Science.gov (United States)

Samsonov, A. M.; Dreiden, G. V.; Semenova, I. V.; Shvartz, A. G.

2015-10-01

A short and object oriented conspectus of bulk solitary wave theory, numerical simulations and real experiments in condensed matter is given. Upon a brief description of the soliton history and development we focus on bulk solitary waves of strain, also known as waves of density and, sometimes, as elastic and/or acoustic solitons. We consider the problem of nonlinear bulk wave generation and detection in basic structural elements, rods, plates and shells, that are exhaustively studied and widely used in physics and engineering. However, it is mostly valid for linear elasticity, whereas dynamic nonlinear theory of these elements is still far from being completed. In order to show how the nonlinear waves can be used in various applications, we studied the solitary elastic wave propagation along lengthy wave guides, and remarkably small attenuation of elastic solitons was proven in physical experiments. Both theory and generation for strain soliton in a shell, however, remained unsolved problems until recently, and we consider in more details the nonlinear bulk wave propagation in a shell. We studied an axially symmetric deformation of an infinite nonlinearly elastic cylindrical shell without torsion. The problem for bulk longitudinal waves is shown to be reducible to the one equation, if a relation between transversal displacement and the longitudinal strain is found. It is found that both the 1+1D and even the 1+2D problems for long travelling waves in nonlinear solids can be reduced to the Weierstrass equation for elliptic functions, which provide the solitary wave solutions as appropriate limits. We show that the accuracy in the boundary conditions on free lateral surfaces is of crucial importance for solution, derive the only equation for longitudinal nonlinear strain wave and show, that the equation has, amongst others, a bidirectional solitary wave solution, which lead us to successful physical experiments. We observed first the compression solitary wave in the

Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach

DEFF Research Database (Denmark)

Gavnholt, Jeppe; Rubio, Angel; Olsen, Thomas

2009-01-01

Using time-evolution time-dependent density functional theory (TDDFT) within the adiabatic local-density approximation, we study the interactions between single electrons and molecular resonances at surfaces. Our system is a nitrogen molecule adsorbed on a ruthenium surface. The surface is modele...... resonance and the lowering of the resonance energy due to an image charge effect. Finally we apply the TDDFT procedure to only consider the decay of molecular excitations and find that it agrees quite well with the width of the projected density of Kohn-Sham states....

Density-functional calculations of the surface tension of liquid Al and Na

Science.gov (United States)

Stroud, D.; Grimson, M. J.

1984-01-01

Calculations of the surface tensions of liquid Al and Na are described using the full ionic density functional formalism of Wood and Stroud (1983). Surface tensions are in good agreement with experiment in both cases, with results substantially better for Al than those found previously in the gradient approximation. Preliminary minimization with respect to surface profile leads to an oscillatory profile superimposed on a nearly steplike ionic density disribution; the oscillations have a wavellength of about a hardsphere diameter.

The breathing mode and the nuclear surface

International Nuclear Information System (INIS)

Blaizot, J.P.; Grammaticos, B.

1981-01-01

The role of nuclear surface in the breathing mode of nuclei is analyzed. We discuss a simple model in which the density varies according to a scaling of the coordinates. We show that this model reproduces accurately the results of microscopic calculations in heavy nuclei, and we use it to estimate the contribution of the surface to the effective compression modulus of semi-infinite nuclear matter. The calculation is performed in the framework of an extended Thomas-Fermi approximation and using several effective interactions. It is shown that the surface energy is maximum with respect to variations of the density around saturation density. The reduction of the effective compression modulus due to the surface turns to be proportional to the bulk compression modulus. The magnitude of the effect is compared with results of RPA calculations. Other contributions to the effective compressions modulus of finite nuclei are also discussed. (orig.)

Thermally actuated magnetization flux pump in single-grain YBCO bulk

Energy Technology Data Exchange (ETDEWEB)

Yan Yu; Li Quan; Coombs, T A, E-mail: yy300@cam.ac.u, E-mail: ql229@cam.ac.u, E-mail: tac1000@cam.ac.u [EPEC Superconductivity Group, Electrical Engineering Department, Cambridge University, 9 J J Thomson Avenue, Cambridge CB3 0FA (United Kingdom)

2009-10-15

Recent progress in material processing has proved that high temperature superconductors (HTS) have a great potential to trap large magnetic fields at cryogenic temperatures. For example, HTS are widely used in MRI scanners and in magnetic bearings. However, using traditional ways to magnetize, the YBCO will always need the applied field to be as high as the expected field on the superconductor or much higher than it, leading to a much higher cost than that of using permanent magnets. In this paper, we find a method of YBCO magnetization in liquid nitrogen that only requires the applied field to be at the level of a permanent magnet. Moreover, rather than applying a pulsed high current field on the YBCO, we use a thermally actuated material (gadolinium) as an intermedia and create a travelling magnetic field through it by changing the partial temperature so that the partial permeability is changed to build up the magnetization of the YBCO gradually after multiple pumps. The gadolinium bulk is located between the YBCO and the permanent magnet and is heated and cooled repeatedly from the outer surface to generate a travelling thermal wave inwards. In the subsequent experiment, an obvious accumulation of the flux density is detected on the surface of the YBCO bulk.

Thermally actuated magnetization flux pump in single-grain YBCO bulk

International Nuclear Information System (INIS)

Yan Yu; Li Quan; Coombs, T A

2009-01-01

Recent progress in material processing has proved that high temperature superconductors (HTS) have a great potential to trap large magnetic fields at cryogenic temperatures. For example, HTS are widely used in MRI scanners and in magnetic bearings. However, using traditional ways to magnetize, the YBCO will always need the applied field to be as high as the expected field on the superconductor or much higher than it, leading to a much higher cost than that of using permanent magnets. In this paper, we find a method of YBCO magnetization in liquid nitrogen that only requires the applied field to be at the level of a permanent magnet. Moreover, rather than applying a pulsed high current field on the YBCO, we use a thermally actuated material (gadolinium) as an intermedia and create a travelling magnetic field through it by changing the partial temperature so that the partial permeability is changed to build up the magnetization of the YBCO gradually after multiple pumps. The gadolinium bulk is located between the YBCO and the permanent magnet and is heated and cooled repeatedly from the outer surface to generate a travelling thermal wave inwards. In the subsequent experiment, an obvious accumulation of the flux density is detected on the surface of the YBCO bulk.

Silicon surface barrier detectors used for liquid hydrogen density measurement

Science.gov (United States)

James, D. T.; Milam, J. K.; Winslett, H. B.

1968-01-01

Multichannel system employing a radioisotope radiation source, strontium-90, radiation detector, and a silicon surface barrier detector, measures the local density of liquid hydrogen at various levels in a storage tank. The instrument contains electronic equipment for collecting the density information, and a data handling system for processing this information.

Influence of grain boundary connectivity on the trapped magnetic flux of multi-seeded bulk superconductors

Energy Technology Data Exchange (ETDEWEB)

Deng, Z., E-mail: zgdeng@gmail.com [Laboratory of Applied Physics, Department of Marine Electronics and Mechanical Engineering, Tokyo University of Marine Science and Technology, Tokyo 135-8533 (Japan); Miki, M.; Felder, B.; Tsuzuki, K.; Shinohara, N.; Hara, S.; Uetake, T.; Izumi, M. [Laboratory of Applied Physics, Department of Marine Electronics and Mechanical Engineering, Tokyo University of Marine Science and Technology, Tokyo 135-8533 (Japan)

2011-09-15

Four different performance multi-seeded YBCO bulks as representatives. A coupling ratio to reflect the coupling quality of GBs inside multi-seeded bulks. An averaged trapped magnetic flux density parameter was introduced. The top-seeded melt-growth process with multi-seeding technique provides a promising way to fabricate large-sized bulk superconductors in an economical way. To understand the essential characteristics of the multi-seeded bulks, the paper reports the influence of the grain boundary (GB) coupling or connectivity on the total trapped magnetic flux. The coupling ratio, the lowest trapped flux density in the GB area to the averaged top value of the two neighboring peak trapped fields, is introduced to reflect the coupling quality of GBs inside a multi-seeded bulk. By the trapped flux density measurement of four different performance multi-seeded YBCO bulk samples as representatives, it was found that the GB coupling plays an important role for the improvement of the total trapped magnetic flux; moreover, somewhat more significant than the widely used parameter of the peak trapped fields to evaluate the physical performance of bulk samples. This characteristic is different with the case of the well-grown single-grain bulks.

Bulk conductivity of soft surface layers : experimental measurement and electrokinetic implications

NARCIS (Netherlands)

Yezek, L.P.

2005-01-01

Conductivity measurements were carried out on a family of polyacrylamide-co-sodium acrylate gels cross-linked with N,N¿ -methylenebisacrylamide in a homemade electrokinetic cell. The conductivity data allowed the equilibrium Donnan potential difference between the bulk gel and the bulk electrolyte

Improved density functional calculations for atoms, molecules and surfaces

International Nuclear Information System (INIS)

Fricke, B.; Anton, J.; Fritzsche, S.; Sarpe-Tudoran, C.

2005-01-01

The non-collinear and collinear descriptions within relativistic density functional theory is described. We present results of both non-collinear and collinear calculations for atoms, diatomic molecules, and some surface simulations. We find that the accuracy of our density functional calculations for the smaller systems is comparable to good quantum chemical calculations, and thus this method provides a sound basis for larger systems where no such comparison is possible. (author)

GAS SURFACE DENSITY, STAR FORMATION RATE SURFACE DENSITY, AND THE MAXIMUM MASS OF YOUNG STAR CLUSTERS IN A DISK GALAXY. II. THE GRAND-DESIGN GALAXY M51

International Nuclear Information System (INIS)

González-Lópezlira, Rosa A.; Pflamm-Altenburg, Jan; Kroupa, Pavel

2013-01-01

We analyze the relationship between maximum cluster mass and surface densities of total gas (Σ gas ), molecular gas (Σ H 2 ), neutral gas (Σ H I ), and star formation rate (Σ SFR ) in the grand-design galaxy M51, using published gas data and a catalog of masses, ages, and reddenings of more than 1800 star clusters in its disk, of which 223 are above the cluster mass distribution function completeness limit. By comparing the two-dimensional distribution of cluster masses and gas surface densities, we find for clusters older than 25 Myr that M 3rd ∝Σ H I 0.4±0.2 , whereM 3rd is the median of the five most massive clusters. There is no correlation withΣ gas ,Σ H2 , orΣ SFR . For clusters younger than 10 Myr, M 3rd ∝Σ H I 0.6±0.1 and M 3rd ∝Σ gas 0.5±0.2 ; there is no correlation with either Σ H 2 orΣ SFR . The results could hardly be more different from those found for clusters younger than 25 Myr in M33. For the flocculent galaxy M33, there is no correlation between maximum cluster mass and neutral gas, but we have determined M 3rd ∝Σ gas 3.8±0.3 , M 3rd ∝Σ H 2 1.2±0.1 , and M 3rd ∝Σ SFR 0.9±0.1 . For the older sample in M51, the lack of tight correlations is probably due to the combination of strong azimuthal variations in the surface densities of gas and star formation rate, and the cluster ages. These two facts mean that neither the azimuthal average of the surface densities at a given radius nor the surface densities at the present-day location of a stellar cluster represent the true surface densities at the place and time of cluster formation. In the case of the younger sample, even if the clusters have not yet traveled too far from their birth sites, the poor resolution of the radio data compared to the physical sizes of the clusters results in measuredΣ that are likely quite diluted compared to the actual densities relevant for the formation of the clusters.

An efficient and economical way to enhance the performance of present HTS Maglev systems by utilizing the anisotropy property of bulk superconductors

International Nuclear Information System (INIS)

Deng Zigang; Wang Jiasu; Zheng Jun; Zhang Ya; Wang Suyu

2013-01-01

We report a simple, efficient and economical way to enhance the levitation or guidance performance of present high-temperature superconducting (HTS) Maglev systems by exploring the anisotropic properties of the critical current density in the a–b plane and along the c-axis of bulk superconductors. In the method, the bulk laying mode with different c-axis directions is designed to match with the magnetic field configuration of the applied permanent magnet guideway (PMG). Experimental results indicate that more than a factor of two improvement in the levitation force or guidance force is achieved when changing the laying mode of bulk superconductors from the traditional fashion of keeping the c-axis vertical to the PMG surface to the studied one of keeping the c-axis parallel to the PMG surface, at the maximum horizontal and vertical magnetic field positions of the PMG, respectively. These phenomena resulted from the physical nature of the generated levitation force and guidance force (electromagnetic forces) and the fact that there are different critical current densities in the a–b plane and along the c axis. Based on the experimental results, new HTS Maglev systems can be designed to meet the requirements of practical heavy-load or curved-route applications. (paper)

An efficient and economical way to enhance the performance of present HTS Maglev systems by utilizing the anisotropy property of bulk superconductors

Science.gov (United States)

Deng, Zigang; Wang, Jiasu; Zheng, Jun; Zhang, Ya; Wang, Suyu

2013-02-01

We report a simple, efficient and economical way to enhance the levitation or guidance performance of present high-temperature superconducting (HTS) Maglev systems by exploring the anisotropic properties of the critical current density in the a-b plane and along the c-axis of bulk superconductors. In the method, the bulk laying mode with different c-axis directions is designed to match with the magnetic field configuration of the applied permanent magnet guideway (PMG). Experimental results indicate that more than a factor of two improvement in the levitation force or guidance force is achieved when changing the laying mode of bulk superconductors from the traditional fashion of keeping the c-axis vertical to the PMG surface to the studied one of keeping the c-axis parallel to the PMG surface, at the maximum horizontal and vertical magnetic field positions of the PMG, respectively. These phenomena resulted from the physical nature of the generated levitation force and guidance force (electromagnetic forces) and the fact that there are different critical current densities in the a-b plane and along the c axis. Based on the experimental results, new HTS Maglev systems can be designed to meet the requirements of practical heavy-load or curved-route applications.

Momentum density and Fermi surface of Nd2-xCexCuO4-δ

International Nuclear Information System (INIS)

Shukla, A.; Barbiellini, B.; Hoffmann, L.; Manuel, A.A.; Sadowski, W.; Walker, E.; Peter, M.

1996-01-01

High-temperature positron two-dimensional angular correlation of annihilation radiation (2D-ACAR) measurements have recently been succesfully applied to map parts of the Fermi surface of YBa 2 Cu 3 O 7-δ . Using the same principle, we have been able to observe with a bulk sensitive method, the Fermi surface of Nd 2-x Ce x CuO 4-δ . Although positron trapping by defects and correlation effects are strong, positron 2D-ACAR measurements provide a signal from the Fermi surface which agrees with band-structure calculations, confirming earlier surface sensitive photoemission experiments. copyright 1996 The American Physical Society

Comparison between bulk and thin foil ion irradiation of ultra high purity Fe

Energy Technology Data Exchange (ETDEWEB)

Prokhodtseva, A., E-mail: anna.prokhodtseva@psi.ch [Ecole Polytechnique Fédérale de Lausanne (EPFL), Centre de Recherches en Physique des Plasmas, Association Euratom-Confédération Suisse, 5232 Villigen PSI (Switzerland); Décamps, B. [Centre de Spectrométrie Nucléaire et de Spectrométrie de Masse (CSNSM), CNRS-IN2P3-Univ. Paris-Sud 11, UMR 8609, Bât. 108, 91405 Orsay (France); Schäublin, R. [Ecole Polytechnique Fédérale de Lausanne (EPFL), Centre de Recherches en Physique des Plasmas, Association Euratom-Confédération Suisse, 5232 Villigen PSI (Switzerland)

2013-11-15

Accumulation of radiation damage in ultra high purity iron under self ion irradiation without and with simultaneous He implantation was investigated in bulk and thin foil form to assess, on the one hand, the effect of free surfaces and, on the other hand, the influence of He. Specimens were irradiated at room temperature to a dose of 0.8 dpa and ∼900 appm He content. We found in thin foils after irradiation with single beam a majority of a{sub 0} 〈1 0 0〉 type loops, while in the presence of He it is the ½ a{sub 0} 〈1 1 1〉 type loops that prevail. In single beam irradiated bulk samples most of the loops are of ½ a{sub 0} 〈1 1 1〉 type. In both bulk and thin foils density of defects visible in transmission electron microscope is considerably higher when He is implanted with prevailing ½ a{sub 0} 〈1 1 1〉 dislocation loops, indicating that He stabilizes them.

129Xe NMR spectroscopy in microporous solids: The effect of bulk properties

International Nuclear Information System (INIS)

Ripmeester, John A.; Ratcliffe, Christopher I.

1993-01-01

In this contribution we point out a number of factors related to the bulk properties of microporous solids which must be taken into account in order first of all to obtain meaningful 129 Xe NMR spectral data, and secondly to interpret the data properly. This sensitivity to bulk properties is especially important for microporous solids where there is little or no barrier to xenon passage from inside the particle to the interparticle space. We examine the effect of particle size, powder bulk density and particle anisotropy, and also the effect of low thermal conductivity of low density powders

Optical and terahertz measurement techniques for flat-faced pharmaceutical tablets: a case study of gloss, surface roughness and bulk properties of starch acetate tablets

International Nuclear Information System (INIS)

Juuti, M; Tuononen, H; Kontturi, V; Peiponen, K-E; Prykäri, T; Alarousu, E; Myllylä, R; Kuosmanen, M; Ketolainen, J

2009-01-01

Surface and bulk properties of flat-faced starch acetate tablets were studied. For surface quality inspection optical coherence tomography and recently developed diffractive glossmeter were utilized. Both these optical devices together provide local information on surface roughness and gloss of a tablet over a measured area. The concepts of mean topography and mean gloss profile for surface quality of a tablet are introduced. It was observed that the surface quality of the tablet varies, and compression at high pressure may not guarantee a good surface quality of the tablet. Using novel statistical parameters for gloss and relevant surface roughness parameter, it is possible to get more comprehensive quantitative data on the surface condition of a tablet. THz spectrometer was utilized for detection of THz pulse delay in transmission measurement mode from the tablets. The delay time and thickness ratio of the tablet are consistent with the porosity of the tablet as a function of compression pressure. We suggest that the multimeasurement scheme using three different devices helps tablet makers to better assess bulk and surface quality of their products

Electronic properties and surface reactivity of SrO-terminated SrTiO3 and SrO-terminated iron-doped SrTiO3.

Science.gov (United States)

Staykov, Aleksandar; Tellez, Helena; Druce, John; Wu, Ji; Ishihara, Tatsumi; Kilner, John

2018-01-01

Surface reactivity and near-surface electronic properties of SrO-terminated SrTiO 3 and iron doped SrTiO 3 were studied with first principle methods. We have investigated the density of states (DOS) of bulk SrTiO 3 and compared it to DOS of iron-doped SrTiO 3 with different oxidation states of iron corresponding to varying oxygen vacancy content within the bulk material. The obtained bulk DOS was compared to near-surface DOS, i.e. surface states, for both SrO-terminated surface of SrTiO 3 and iron-doped SrTiO 3 . Electron density plots and electron density distribution through the entire slab models were investigated in order to understand the origin of surface electrons that can participate in oxygen reduction reaction. Furthermore, we have compared oxygen reduction reactions at elevated temperatures for SrO surfaces with and without oxygen vacancies. Our calculations demonstrate that the conduction band, which is formed mainly by the d-states of Ti, and Fe-induced states within the band gap of SrTiO 3 , are accessible only on TiO 2 terminated SrTiO 3 surface while the SrO-terminated surface introduces a tunneling barrier for the electrons populating the conductance band. First principle molecular dynamics demonstrated that at elevated temperatures the surface oxygen vacancies are essential for the oxygen reduction reaction.

The effect of inter-granular constraints on the response of polycrystalline piezoelectric ceramics at the surface and in the bulk

DEFF Research Database (Denmark)

Hossain, Mohammad J.; Wang, Zhiyang; Khansur, Neamul H.

2016-01-01

V) synchrotron X-ray diffraction with in situ electric fields. The results show that for tetragonal PZT at a maximum electric field of 2.8 kV/mm, the electric-field-induced lattice strain (ε111) is 20% higher at the surface than in the bulk, and non-180° ferroelectric domain texture (as indicated......The electro-mechanical coupling mechanisms in polycrystalline ferroelectric materials, including a soft PbZrxTi1−xO3 (PZT) and lead-free 0.9375(Bi1/2Na1/2)TiO3-0.0625BaTiO3 (BNT-6.25BT), have been studied using a surface sensitive low-energy (12.4 keV) and bulk sensitive high-energy (73 ke...... by the intensity ratio I002/I200) is 16% higher at the surface. In the case of BNT-6.25BT, which is pseudo-cubic up to fields of 2 kV/mm, lattice strains, ε111 and ε200, are 15% and 20% higher at the surface, while in the mixed tetragonal and rhombohedral phases at 5 kV/mm, the domain texture indicated...

Surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy

Science.gov (United States)

Yang, Yan; Feng, Zhong-Ying; Zhang, Jian-Min

2018-05-01

The spin-polarized first-principles are used to study the surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy, and the bulk Zr2CoSn Heusler alloy are also discussed to make comparison. The conduction band minimum (CBM) of half-metallic (HM) bulk Zr2CoSn alloy is contributed by ZrA, ZrB and Co atoms, while the valence band maximum (VBM) is contributed by ZrB and Co atoms. The SnSn termination is the most stable surface with the highest spin polarizations P = 77.1% among the CoCo, ZrCo, ZrZr, ZrSn and SnSn terminations of the Zr2CoSn (001) surface. In the SnSn termination of the Zr2CoSn (001) surface, the atomic partial density of states (APDOS) of atoms in the surface, subsurface and third layers are much influenced by the surface effect and the total magnetic moment (TMM) is mainly contributed by the atomic magnetic moments of atoms in fourth to ninth layers.

Bulk synthesis of nanocrystalline urania powders by citrate gel-combustion method

Science.gov (United States)

Sanjay Kumar, D.; Ananthasivan, K.; Venkata Krishnan, R.; Amirthapandian, S.; Dasgupta, Arup

2016-01-01

Bulk quantities (60 g) of nanocrystalline (nc) free flowing urania powders with crystallite size ranging from 38 to 252 nm have been synthesized for the first time by the citrate gel combustion method. A systematic study of the influence of the fuel (citric acid) to oxidant (nitrate) ratio (R) on the characteristics of the urania powders has been carried out for the first time. Mixture with an "R" value of 0.25 exhibited a vigorous auto-ignition reaction. This reaction was investigated with Differential Scanning Calorimetry (DSC) and in-situ thermogravimetry coupled with differential thermal analysis and mass spectrometry (TG-DTA-MS). The bulk density, specific surface area, X-ray crystallite size, residual carbon and size distribution of particles of this powder were unique. Microscopic and microstructural investigation of selected samples revealed the presence of nanocrystals with irregular exfoliated morphology; their Electron Energy Loss Spectra testified the covalency of the U-O bond.

Development of DPD coarse-grained models: From bulk to interfacial properties

Energy Technology Data Exchange (ETDEWEB)

Solano Canchaya, José G.; Dequidt, Alain, E-mail: alain.dequidt@univ-bpclermont.fr; Goujon, Florent; Malfreyt, Patrice [Institut de Chimie de Clermont-Ferrand, Université Blaise Pascal, Université Clermont Auvergne, BP 10448, F-63000 Clermont-Ferrand (France); CNRS, UMR 6296, ICCF, F-63178 Aubiere (France)

2016-08-07

A new Bayesian method was recently introduced for developing coarse-grain (CG) force fields for molecular dynamics. The CG models designed for dissipative particle dynamics (DPD) are optimized based on trajectory matching. Here we extend this method to improve transferability across thermodynamic conditions. We demonstrate the capability of the method by developing a CG model of n-pentane from constant-NPT atomistic simulations of bulk liquid phases and we apply the CG-DPD model to the calculation of the surface tension of the liquid-vapor interface over a large range of temperatures. The coexisting densities, vapor pressures, and surface tensions calculated with different CG and atomistic models are compared to experiments. Depending on the database used for the development of the potentials, it is possible to build a CG model which performs very well in the reproduction of the surface tension on the orthobaric curve.

Carbon nanotubes grown on bulk materials and methods for fabrication

Science.gov (United States)

Menchhofer, Paul A [Clinton, TN; Montgomery, Frederick C [Oak Ridge, TN; Baker, Frederick S [Oak Ridge, TN

2011-11-08

Disclosed are structures formed as bulk support media having carbon nanotubes formed therewith. The bulk support media may comprise fibers or particles and the fibers or particles may be formed from such materials as quartz, carbon, or activated carbon. Metal catalyst species are formed adjacent the surfaces of the bulk support material, and carbon nanotubes are grown adjacent the surfaces of the metal catalyst species. Methods employ metal salt solutions that may comprise iron salts such as iron chloride, aluminum salts such as aluminum chloride, or nickel salts such as nickel chloride. Carbon nanotubes may be separated from the carbon-based bulk support media and the metal catalyst species by using concentrated acids to oxidize the carbon-based bulk support media and the metal catalyst species.

Influence of surface conditions in nucleate boiling--the concept of bubble flux density

International Nuclear Information System (INIS)

Shoukri, M.; Judd, R.L.

1978-01-01

A study of the influence of surface conditions in nucleate pool boiling is presented. The surface conditions are represented by the number and distribution of the active nucleation sites as well as the size and size distribution of the cavities that constitute the nucleation sites. The heat transfer rate during nucleate boiling is shown to be influenced by the surface condition through its effect on the number and distribution of the active nucleation sites as well as the frequency of bubble departure from each of these different size cavities. The concept of bubble flux density, which is a function of both the active site density and frequency of bubble departure, is introduced. A method of evaluating the bubble flux density is proposed and a uniform correlation between the boiling heat flux and the bubble flux density is found to exist for a particular solid-liquid combination irrespective of the surface finish within the region of isolated bubbles

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

Science.gov (United States)

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.

Critical current characteristics and history dependence in superconducting SmFeAsOF bulk

International Nuclear Information System (INIS)

Ni, B; Ge, J; Kiuchi, M; Otabe, E S; Gao, Z; Wang, L; Qi, Y; Zhang, X; Ma, Y

2010-01-01

The superconducting SmFeAsO 1-x F x (x=0.2) polycrystalline bulks were prepared by the powder-in-tube (PIT) method. The magnetic field and temperature dependences of critical current densities in the samples were investigated by resistive and ac inductive (Campbell's) methods. It was found that a fairly large shielding current density over 10 9 A/m 2 , which is considered to correspond to the local critical current density, flows locally with the perimeter size similar to the average grain size of the bulk samples, while an extremely low transport current density of about 10 5 A/m 2 corresponding to the global critical current density flows through the whole sample. Furthermore, a unique history dependence of global critical current density was observed, i.e., it shows a smaller value in the increasing-field process than that in the decreasing-field process. The history dependence of global critical current characteristic in our case can be ascribed to the existence of the weak-link property between the grains in SmFeAsO 1-x F x bulk.

Simulation of global oceanic upper layers forced at the surface by an optimal bulk formulation derived from multi-campaign measurements.

Science.gov (United States)

Garric, G.; Pirani, A.; Belamari, S.; Caniaux, G.

2006-12-01

order to improve the air/sea interface for the future MERCATOR global ocean operational system, we have implemented the new bulk formulation developed by METEO-FRANCE (French Meteo office) in the MERCATOR 2 degree global ocean-ice coupled model (ORCA2/LIM). A single bulk formulation for the drag, temperature and moisture exchange coefficients is derived from an extended consistent database gathering 10 years of measurements issued from five experiments dedicated to air-sea fluxes estimates (SEMAPHORE, CATCH, FETCH, EQUALANT99 and POMME) in various oceanic basins (from Northern to equatorial Atlantic). The available database (ALBATROS) cover the widest range of atmospheric and oceanic conditions, from very light (0.3 m/s) to very strong (up to 29 m/s) wind speeds, and from unstable to extremely stable atmospheric boundary layer stratification. We have defined a work strategy to test this new formulation in a global oceanic context, by using this multi- campaign bulk formulation to derive air-sea fluxes from base meteorological variables produces by the ECMWF (European Centre for Medium Range and Weather Forecast) atmospheric forecast model, in order to get surface boundary conditions for ORCA2/LIM. The simulated oceanic upper layers forced at the surface by the previous air/sea interface are compared to those forced by the optimal bulk formulation. Consecutively with generally weaker transfer coefficient, the latter formulation reduces the cold bias in the equatorial Pacific and increases the too weak summer sea ice extent in Antarctica. Compared to a recent mixed layer depth (MLD) climatology, the optimal bulk formulation reduces also the too deep simulated MLDs. Comparison with in situ temperature and salinity profiles in different areas allowed us to evaluate the impact of changing the air/sea interface in the vertical structure.

Superionic Conductivity of Sm3+, Pr3+, and Nd3+ Triple-Doped Ceria through Bulk and Surface Two-Step Doping Approach.

Science.gov (United States)

Liu, Yanyan; Fan, Liangdong; Cai, Yixiao; Zhang, Wei; Wang, Baoyuan; Zhu, Bin

2017-07-19

Sufficiently high oxygen ion conductivity of electrolyte is critical for good performance of low-temperature solid oxide fuel cells (LT-SOFCs). Notably, material conductivity, reliability, and manufacturing cost are the major barriers hindering LT-SOFC commercialization. Generally, surface properties control the physical and chemical functionalities of materials. Hereby, we report a Sm 3+ , Pr 3+ , and Nd 3+ triple-doped ceria, exhibiting the highest ionic conductivity among reported doped-ceria oxides, 0.125 S cm -1 at 600 °C. It was designed using a two-step wet-chemical coprecipitation method to realize a desired doping for Sm 3+ at the bulk and Pr 3+ /Nd 3+ at surface domains (abbreviated as PNSDC). The redox couple Pr 3+ /Pr 4+ contributes to the extraordinary ionic conductivity. Moreover, the mechanism for ionic conductivity enhancement is demonstrated. The above findings reveal that a joint bulk and surface doping methodology for ceria is a feasible approach to develop new oxide-ion conductors with high impacts on advanced LT-SOFCs.

46 CFR 151.03-21 - Filling density.

Science.gov (United States)

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...

The role of intramolecular crosslinking in the radiolysis of bulk crystallized high density polyethylene

International Nuclear Information System (INIS)

Lyons, B.J.

1986-01-01

Intramolecular crosslinks have been suggested to occur in bulk crystallized, irradiated, high density polyethylene (HDPE) and to account for the low rates of gel formation, especially those of previously annealed samples when compared with that manifested by the same resin when previously quenched from the melt. Such crosslinks do not contribute to the development of gel and contribute to only a limited extent to the elastic properties above the crystalline melting point when compared with intermolecular crosslinks, but, if the mesh size of the intra- and inter-molecular networks are comparable, are fully reflected in the rupture elongation. The rupture elongations of a wide range of HDPE resins, for a given sol fraction or elastic modulus, are found to be at least as high as and often higher than those of low (LDPE) or linear low (LLDPE) polyethylene resins, indicating that intramolecular crosslinking of this type does not occur to a significantly greater extent in these higher crystallinity resins. Other factors more likely to account for the reduced rates of inter alia gel formation in some HDPE resins are discussed. (author)

A Density Functional Tight Binding Study of Acetic Acid Adsorption on Crystalline and Amorphous Surfaces of Titania

Directory of Open Access Journals (Sweden)

Sergei Manzhos

2015-02-01

Full Text Available We present a comparative density functional tight binding study of an organic molecule attachment to TiO2 via a carboxylic group, with the example of acetic acid. For the first time, binding to low-energy surfaces of crystalline anatase (101, rutile (110 and (B-TiO2 (001, as well as to the surface of amorphous (a- TiO2 is compared with the same computational setup. On all surfaces, bidentate configurations are identified as providing the strongest adsorption energy, Eads = −1.93, −2.49 and −1.09 eV for anatase, rutile and (B-TiO2, respectively. For monodentate configurations, the strongest Eads = −1.06, −1.11 and −0.86 eV for anatase, rutile and (B-TiO2, respectively. Multiple monodentate and bidentate configurations are identified on a-TiO2 with a distribution of adsorption energies and with the lowest energy configuration having stronger bonding than that of the crystalline counterparts, with Eads up to −4.92 eV for bidentate and −1.83 eV for monodentate adsorption. Amorphous TiO2 can therefore be used to achieve strong anchoring of organic molecules, such as dyes, that bind via a -COOH group. While the presence of the surface leads to a contraction of the band gap vs. the bulk, molecular adsorption caused no appreciable effect on the band structure around the gap in any of the systems.

Anisotropic cosmological models with bulk viscosity and particle ...

Indian Academy of Sciences (India)

4.1.3 Ideal gas. In the case of an ideal gas. = 0 and pc = 0. Then eq. (2) becomes. ˙η + 3ηH = 0. (69). Equation (69), on integration gives η = η1t. −3/n,. (70) where η1 is an integrating constant. Equation (69) is the expression for particle creation density. This model has only bulk viscosity and bulk viscous stress is obtained as.

Nanopatterned Bulk Metallic Glass Biosensors.

Science.gov (United States)

Kinser, Emily R; Padmanabhan, Jagannath; Yu, Roy; Corona, Sydney L; Li, Jinyang; Vaddiraju, Sagar; Legassey, Allen; Loye, Ayomiposi; Balestrini, Jenna; Solly, Dawson A; Schroers, Jan; Taylor, André D; Papadimitrakopoulos, Fotios; Herzog, Raimund I; Kyriakides, Themis R

2017-12-22

Nanopatterning as a surface area enhancement method has the potential to increase signal and sensitivity of biosensors. Platinum-based bulk metallic glass (Pt-BMG) is a biocompatible material with electrical properties conducive for biosensor electrode applications, which can be processed in air at comparably low temperatures to produce nonrandom topography at the nanoscale. Work presented here employs nanopatterned Pt-BMG electrodes functionalized with glucose oxidase enzyme to explore the impact of nonrandom and highly reproducible nanoscale surface area enhancement on glucose biosensor performance. Electrochemical measurements including cyclic voltammetry (CV) and amperometric voltammetry (AV) were completed to compare the performance of 200 nm Pt-BMG electrodes vs Flat Pt-BMG control electrodes. Glucose dosing response was studied in a range of 2 mM to 10 mM. Effective current density dynamic range for the 200 nm Pt-BMG was 10-12 times greater than that of the Flat BMG control. Nanopatterned electrode sensitivity was measured to be 3.28 μA/cm 2 /mM, which was also an order of magnitude greater than the flat electrode. These results suggest that nonrandom nanotopography is a scalable and customizable engineering tool which can be integrated with Pt-BMGs to produce biocompatible biosensors with enhanced signal and sensitivity.

Disentangling surface, bulk, and space-charge-layer conductivity in Si(111)-(7x7)

DEFF Research Database (Denmark)

Wells, J.W.; Kallehauge, J.F.; Hansen, Torben Mikael

2006-01-01

A novel approach for extracting genuine surface conductivities is presented and illustrated using the unresolved example of Si(111)-(7x7). Its temperature-dependent conductivity was measured with a microscopic four point probe between room temperature and 100 K. At room temperature the measured...... conductance corresponds to that expected from the bulk doping level. However, as the temperatures is lowered below approximate to 200 K, the conductance decreases by several orders of magnitude in a small temperature range and it saturates at a low temperature value of approximate to 4x10(-8) Omega(-1...

Magnetic properties and critical current density of bulk MgB2 polycrystalline with Bi-2212 addition

International Nuclear Information System (INIS)

Shen, T M; Li, G; Zhu, X T; Cheng, C H; Zhao, Y

2005-01-01

Bulk samples of MgB 2 were prepared with 0, 3, 5, and 10 wt% Bi 2 Sr 2 CaCu 2 O 8 (Bi-2212) particles, added using a simple solid-state reaction route in order to investigate the effect of inclusions of a material with higher T c than the superconducting matrix. The density, diamagnetic signal, and critical current density, J c , of the samples change significantly with the doping level. It is found that J c is significantly enhanced by the Bi-2212 addition. Microstructural analysis indicates that a small amount of Bi-2212 is decomposed into Cu 2 O and other impurity phases while a significant amount of unreacted Bi-2212 particles remains in MgB 2 matrix, and these act as effective pinning centres for vortices. The enhanced pinning force is mainly attributable to these highly dispersed inclusions inserted in the MgB 2 grains. Despite the effectiveness of the high-T c inclusions in increasing superconducting critical currents in our experiment, our results seem to demonstrate the superiority of attractive centres over repulsive ones. A pinning mechanism is proposed to account for the contribution of this type of pinning centre in MgB 2 superconductors. (rapid communication)

Self-consistent density functional calculation of the image potential at a metal surface

International Nuclear Information System (INIS)

Jung, J; Alvarellos, J E; Chacon, E; GarcIa-Gonzalez, P

2007-01-01

It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z 0 ), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z 0 , and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description

Self-consistent density functional calculation of the image potential at a metal surface

Energy Technology Data Exchange (ETDEWEB)

Jung, J [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Alvarellos, J E [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Chacon, E [Instituto de Ciencias de Materiales de Madrid, Consejo Superior de Investigaciones CientIficas, E-28049 Madrid (Spain); GarcIa-Gonzalez, P [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain)

2007-07-04

It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z{sub 0}), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z{sub 0}, and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description.

Surface, interface and bulk materials characterization using Indus synchrotron sources

International Nuclear Information System (INIS)

Phase, Deodatta M.

2014-01-01

Synchrotron radiation sources, providing intense, polarized and stable beams of ultra violet, soft and hard x-ray photons, are having great impact on physics, chemistry, biology, materials science and other areas research. In particular synchrotron radiation has revolutionized materials characterization techniques by enhancing its capabilities for investigating the structural, electronic and magnetic properties of solids. The availability of synchrotron sources and necessary instrumentation has led to considerable improvements in spectral resolution and intensities. As a result, application scope of different materials characterization techniques has tremendously increased particularly in the analysis of solid surfaces, interfaces and bulk materials. The Indian synchrotron storage ring, Indus-1 and Indus-2 are in operation at RRCAT, Indore. The UGC-DAE CSR with the help of university scientist had designed and developed an angle integrated photoelectron spectroscopy (AlPES) beam line on Indus-1 storage ring of 450 MeV and polarized light beam line for soft x-ray absorption spectroscopy (SXAS) on Indus-2 storage ring of 2.5 GeV. (author)

Density Functional Theory Calculations Revealing Metal-like Band Structures for Ultrathin Ge {111} and {211} Surface Layers.

Science.gov (United States)

Tan, Chih-Shan; Huang, Michael Hsuan-Yi

2018-05-21

To find out if germanium should also possess facet-dependent electrical conductivity properties, surface state density functional theory (DFT) calculations were performed on 1-6 layers of Ge (100), (110), (111), and (211) planes. Tunable Ge (100) and (110) planes always present the same semiconducting band structure with a band gap of 0.67 eV expected of bulk germanium. In contrast, 1, 2, 4, and 5 layers of Ge (111) and (211) plane models show metal-like band structures with continuous density of states (DOS) throughout the entire band. For 3 and 6 layers of Ge (111) and (211) plane models, the normal semiconducting band structure was obtained. The plane layers with metal-like band structures also show Ge-Ge bond length deviations and bond distortions, as well as significantly different 4s and 4p frontier orbital electron count and their relative percentages integrated over the valence and conduction bands from those of the semiconducting state. These differences should contribute to strikingly dissimilar band structures. The calculation results suggest observation of facet-dependent electrical conductivity properties of germanium materials, and transistors made of germanium may also need to consider the facet effects with shrinking dimensions approaching 3 nm. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Polarization Dependent Bulk-sensitive Valence Band Photoemission Spectroscopy and Density Functional Theory Calculations: Part I. 3d Transition Metals

Science.gov (United States)

Ueda, Shigenori; Hamada, Ikutaro

2017-12-01

The X-ray polarization dependent valence band HAXPES spectra of 3d transition metals (TMs) of Ti-Zn were measured to investigate the orbital resolved electronic structures by utilizing that the fact the photoionization cross-section of the atomic orbitals strongly depends on the experimental geometry. We have calculated the HAXPES spectra, which correspond to the cross-section weighted densities of states (CSW-DOSs), where the DOSs were obtained by the density functional theory calculations, and we have determined the relative photoionization cross-sections of the 4s and 4p orbitals to the 3d orbital in the 3d TMs. The experimentally obtained bulk-sensitive 3d and 4s DOSs were good agreement with the calculated DOSs in Ti, V, Cr, and Cu. In contrast, the deviations between the experimental and calculated 3d DOSs for Mn, Fe, Co, Ni were found, suggesting that the electron correlation plays an important role in the electronic structures for these materials.

High-Density Infrared Surface Treatments of Refractories

Energy Technology Data Exchange (ETDEWEB)

Tiegs, T.N.

2005-03-31

Refractory materials play a crucial role in all energy-intensive industries and are truly a crosscutting technology for the Industries of the Future (IOF). One of the major mechanisms for the degradation of refractories and a general decrease in their performance has been the penetration and corrosion by molten metals or glass. Methods and materials that would reduce the penetration, wetting, and corrosive chemistry would significantly improve refractory performance and also maintain the quality of the processed liquid, be it metal or glass. This report presents the results of an R&D project aimed at investigating the use of high-density infrared (HDI) heating to surface treat refractories to improve their performance. The project was a joint effort between Oak Ridge National Laboratory (ORNL) and the University of Missouri-Rolla (UMR). HDI is capable of heating the near-surface region of materials to very high temperatures where sintering, diffusion, and melting can occur. The intended benefits of HDI processing of refractories were to (1) reduce surface porosity (by essentially sealing the surface to prevent liquid penetration), (2) allow surface chemistry changes to be performed by bonding an adherent coating onto the underlying refractory (in order to inhibit wetting and/or improve corrosion resistance), and (3) produce noncontact refractories with high-emissivity surface coatings.

Critical current density improvements in MgB2 superconducting bulk samples by K2CO3 additions  

DEFF Research Database (Denmark)

Grivel, J.-C.

2018-01-01

MgB2 bulk samples with potassium carbonate doping were made by means of reaction of elemental Mg and B powders mixed with various amounts of K2CO3. The Tc of the superconducting phase as well as its a-axis parameter were decreased as a result of carbon doping. Potassium escaped the samples during...... reaction. The critical current density of MgB2 was improved both in self field and under applied magnetic field for T ≤ 30 K, with optimum results for 1 mol% K2CO3 addition. The normalized flux pinning force (f(b)) shows that the flux pinning mechanism at low field is similar for all samples, following...

Novel approach for a PTX/VEGF dual drug delivery system in cardiovascular applications-an innovative bulk and surface drug immobilization.

Science.gov (United States)

Wulf, Katharina; Teske, Michael; Matschegewski, Claudia; Arbeiter, Daniela; Bajer, Dalibor; Eickner, Thomas; Schmitz, Klaus-Peter; Grabow, Niels

2018-06-01

The successive incorporation of several drugs into the polymeric bulk of implants mostly results in loss of considerable quantity of one drug, and/or the loss in quality of the coating and also in changes of drug release time points. A dual drug delivery system (DDDS) based on poly-L-lactide (PLLA) copolymers combining the effective inhibition of smooth muscle cell proliferation while simultaneously promoting re-endothelialization was successfully developed. To overcome possible antagonistic drug interactions and the limitation of the polymeric bulk material as release system for dual drugs, a novel concept which combines the bulk and surface drug immobilization for a DDDS was investigated. The advantage of this DDDS is that the bulk incorporation of fluorescein diacetate (FDAc) (model drug for paclitaxel (PTX)) via spray coating enhanced the subsequent cleavable surface coupling of vascular endothelial growth factor (VEGF) via the crosslinker bissulfosuccinimidyl suberate (BS 3 ). In the presence of the embedded FDAc, the VEGF loading and release are about twice times higher than in absence. Furthermore, the DDDS combines the diffusion drug delivery (FDAc or PTX) and the chemical controlled drug release, VEGF via hydrolysable ester bonds, without loss in quantity and quality of the drug release curves. Additionally, the performed in vitro biocompatibility study showed the bimodal influences of PTX and VEGF on human endothelial EA.hy926 cells. In conclusion, it was possible to show the feasibility to develop a novel DDDS which has a high potential for the medical application due to the possible easy and short modification of a polymer-based PTX delivery system.

Surface pH controls purple-to-blue transition of bacteriorhodopsin. A theoretical model of purple membrane surface.

Science.gov (United States)

Szundi, I; Stoeckenius, W

1989-08-01

We have developed a surface model of purple membrane and applied it in an analysis of the purple-to-blue color change of bacteriorhodopsin which is induced by acidification or deionization. The model is based on dissociation and double layer theory and the known membrane structure. We calculated surface pH, ion concentrations, charge density, and potential as a function of bulk pH and concentration of mono- and divalent cations. At low salt concentrations, the surface pH is significantly lower than the bulk pH and it becomes independent of bulk pH in the deionized membrane suspension. Using an experimental acid titration curve for neutral, lipid-depleted membrane, we converted surface pH into absorption values. The calculated bacteriohodopsin color changes for acidification of purple, and titrations of deionized blue membrane with cations or base agree well with experimental results. No chemical binding is required to reproduce the experimental curves. Surface charge and potential changes in acid, base and cation titrations are calculated and their relation to the color change is discussed. Consistent with structural data, 10 primary phosphate and two basic surface groups per bacteriorhodopsin are sufficient to obtain good agreement between all calculated and experimental curves. The results provide a theoretical basis for our earlier conclusion that the purple-to-blue transition must be attributed to surface phenomena and not to cation binding at specific sites in the protein.

Ab initio study of point defects in PbSe and PbTe: Bulk and nanowire

Energy Technology Data Exchange (ETDEWEB)

Wrasse, E. O. [Instituto de Física, Universidade Federal de Uberlândia, 38408-100, Uberlândia, MG, Brazil and Departamento de Física, Universidade Federal de Santa Maria, 97105-900, Santa Maria, RS (Brazil); Venezuela, P. [Instituto de Física, Universidade Federal Fluminense, 24210-346, Niteroi, RJ (Brazil); Baierle, R. J., E-mail: rbaierle@smail.ufsm.br [Departamento de Física, Universidade Federal de Santa Maria, 97105-900, Santa Maria, RS (Brazil)

2014-11-14

First principles investigations, within the spin-polarized density functional theory, are performed to study energetic stability and electronic properties of point defects (vacancies and antisites) in PbSe and PbTe: bulk and nanowire (NW). Our results show that the energetic stability of these defects is ruled by relaxation process. These defects have lower formation energies in the nanowire structures as compared to the bulk, being more stable in the surface of the NWs. We also show that in the bulk system only one charge state is stable, otherwise, due to the larger band gaps, more than one charge state may be stable in the NWs. In addition, we have investigated how the presence of intrinsic defects affects the electronic properties of bulk and NW systems. Vacancies give rise to new electronic states near to the edges of the valence and conduction bands while the energetic position of the electronic states from antisites depends on the charge state, being localized inside the band gap or near the edges of the valence or conduction bands. We discuss how these changes in the electronic properties due to intrinsic defects may affect the thermoelectric properties of PbSe and PbTe NWs.

Ab-initio calculations of the hydrogen-uranium system: Surface phenomena, absorption, transport and trapping

International Nuclear Information System (INIS)

Taylor, Christopher D.; Scott Lillard, R.

2009-01-01

Density functional theory was applied to the initial steps of uranium hydriding: surface phenomena, absorption, bulk transport and trapping. H adsorbs exothermically to the (0 0 1) surface, yet H absorption into the bulk is endothermic, with off-center octahedral absorption having the lowest absorption energy of 0.39 eV, relative to molecular H 2 . H absorption in interstitial sites causes a local softening of the bulk modulus. Diffusion of H in unstrained α-U has a barrier of 0.6 eV. The energy of H absorption adjacent to the chemical impurities C, S, Si was lowered by an amount proportional to the size of the impurity atom, and the resulting lattice strain Si > S > C. Thus, impurities may promote hydriding by providing surfaces or prestrained zones for H uptake.

Simulating measures of wood density through the surface by Compton scattering

International Nuclear Information System (INIS)

Penna, Rodrigo; Oliveira, Arno H.; Braga, Mario R.M.S.S.; Vasconcelos, Danilo C.; Carneiro, Clemente J.G.; Penna, Ariane G.C.

2009-01-01

Monte Carlo code (MCNP-4C) was used to simulate a nuclear densimeter for measuring wood densities nondestructively. An Americium source (E = 60 keV) and a NaI (Tl) detector were placed on a wood block surface. Results from MCNP shown that scattered photon fluxes may be used to determining wood densities. Linear regressions between scattered photons fluxes and wood density were calculated and shown correlation coefficients near unity. (author)

Photoinduced Bulk Polarization and Its Effects on Photovoltaic Actions in Perovskite Solar Cells.

Science.gov (United States)

Wu, Ting; Collins, Liam; Zhang, Jia; Lin, Pei-Ying; Ahmadi, Mahshid; Jesse, Stephen; Hu, Bin

2017-11-28

This article reports an experimental demonstration of photoinduced bulk polarization in hysteresis-free methylammonium (MA) lead-halide perovskite solar cells [ITO/PEDOT:PSS/perovskite/PCBM/PEI/Ag]. An anomalous capacitance-voltage (CV) signal is observed as a broad "shoulder" in the depletion region from -0.5 to +0.5 V under photoexcitation based on CV measurements where a dc bias is gradually scanned to continuously drift mobile ions in order to detect local polarization under a low alternating bias (50 mV, 5 kHz). Essentially, gradually scanning the dc bias and applying a low alternating bias can separately generate continuously drifting ions and a bulk CV signal from local polarization under photoexcitation. Particularly, when the device efficiency is improved from 12.41% to 18.19% upon chlorine incorporation, this anomalous CV signal can be enhanced by a factor of 3. This anomalous CV signal can be assigned as the signature of photoinduced bulk polarization by distinguishing from surface polarization associated with interfacial charge accumulation. Meanwhile, replacing easy-rotational MA + with difficult-rotational formamidinium (FA + ) cations largely minimizes such anomalous CV signal, suggesting that photoinduced bulk polarization relies on the orientational freedom of dipolar organic cations. Furthermore, a Kelvin probe force microscopy study shows that chlorine incorporation can suppress the density of charged defects and thus enhances photoinduced bulk polarization due to the reduced screening effect from charged defects. A bias-dependent photoluminescence study indicates that increasing bulk polarization can suppress carrier recombination by decreasing charge capture probability through the Coulombic screening effect. Clearly, our studies provide an insightful understanding of photoinduced bulk polarization and its effects on photovoltaic actions in perovskite solar cells.

Renormalization group approach to causal bulk viscous cosmological models

International Nuclear Information System (INIS)

Belinchon, J A; Harko, T; Mak, M K

2002-01-01

The renormalization group method is applied to the study of homogeneous and flat Friedmann-Robertson-Walker type universes, filled with a causal bulk viscous cosmological fluid. The starting point of the study is the consideration of the scaling properties of the gravitational field equations, the causal evolution equation of the bulk viscous pressure and the equations of state. The requirement of scale invariance imposes strong constraints on the temporal evolution of the bulk viscosity coefficient, temperature and relaxation time, thus leading to the possibility of obtaining the bulk viscosity coefficient-energy density dependence. For a cosmological model with bulk viscosity coefficient proportional to the Hubble parameter, we perform the analysis of the renormalization group flow around the scale-invariant fixed point, thereby obtaining the long-time behaviour of the scale factor

Big bang nucleosynthesis constraints on bulk neutrinos

International Nuclear Information System (INIS)

Goh, H.S.; Mohapatra, R.N.

2002-01-01

We examine the constraints imposed by the requirement of successful nucleosynthesis on models with one large extra hidden space dimension and a single bulk neutrino residing in this dimension. We solve the Boltzmann kinetic equation for the thermal distribution of the Kaluza-Klein modes and evaluate their contribution to the energy density at the big bang nucleosynthesis epoch to constrain the size of the extra dimension R -1 ≡μ and the parameter sin 2 2θ which characterizes the mixing between the active and bulk neutrinos

Superior critical current density obtained in MgB{sub 2} bulks via employing carbon-coated boron and minor Cu addition

Energy Technology Data Exchange (ETDEWEB)

Peng, Junming; Liu, Yongchang [State Key Laboratory of Hydraulic Engineering Simulation and Safety, School of Materials Science & Engineering, Tianjin University, Tianjin 300072 (China); Ma, Zongqing, E-mail: mzq0320@163.com [State Key Laboratory of Hydraulic Engineering Simulation and Safety, School of Materials Science & Engineering, Tianjin University, Tianjin 300072 (China); Institute for Superconducting and Electronic Materials, AIIM, University of Wollongong, Squires Way, North Wollongong, NSW 2500 (Australia); Shahriar Al Hossain, M. [Institute for Superconducting and Electronic Materials, AIIM, University of Wollongong, Squires Way, North Wollongong, NSW 2500 (Australia); Xin, Ying; Jin, Jianxun [Tianjin University – Futong Group Research Center of Applied Superconductivity, Tianjin University, Tianjin 300072 (China)

2016-09-15

Highlights: • Usage of carbon-coated boron leads to high level of homogeneous carbon doping. • Cu addition improves MgB{sub 2} grain connectivity, leading to higher J{sub c} at low fields. • Cu addition reduces MgO impurity, also contributing to the improvement of J{sub c}. - Abstract: High performance Cu doped MgB{sub 2} bulks were prepared by an in-situ method with carbon-coated amorphous boron as precursor. It was found that the usage of carbon-coated boron in present work leads to the formation of uniformly refined MgB{sub 2} grains, as well as a high level of homogeneous carbon doping in the MgB{sub 2} samples, which significantly enhance the J{sub c} in both Cu doped and undoped bulks compared to MgB{sub 2} bulks with normal amorphous boron precursor. Moreover, minor Cu can service as activator, and thus facilitates the growth of MgB{sub 2} grains and improves crystallinity and grain connectivity, which can bring about the excellent critical current density (J{sub c}) at self fields and low fields (the best values are 7 × 10{sup 5} A/cm{sup 2} at self fields, and 1 × 10{sup 5} A/cm{sup 2} at 2 T, 20 K, respectively). Simultaneously, minor Cu addition can reduce the amount of MgO impurity significantly, also contributing to the improvement of J{sub c} at low fields. Our work suggests that Cu-activated sintering combined with employment of carbon-coated amorphous boron as precursor could be a promising technique to produce practical MgB{sub 2} bulks or wires with excellent J{sub c} on an industrial scale.

Numerical Calculation of Distribution of Induced Carge Density on Planar Confined Surfaces

International Nuclear Information System (INIS)

Bolotov, V.; Druzhchenko, R.; Karazin, V.; Lominadze, J.; Kharadze, F.

2007-01-01

The calculation method of distribution of induced charge density on planar surfaces, including fractal structures of Sierpinski carpet type, is propesed. The calculation scheme is based on the fact that simply connected conducting surface of arbitrary geometry is an equipotential surface. (author)

Simultaneous solution of the geoid and the surface density anomalies

Science.gov (United States)

Ardalan, A. A.; Safari, A.; Karimi, R.; AllahTavakoli, Y.

2012-04-01

The main application of the land gravity data in geodesy is "local geoid" or "local gravity field" modeling, whereas the same data could play a vital role for the anomalous mass-density modeling in geophysical explorations. In the realm of local geoid computations based on Geodetic Boundary Value Problems (GBVP), it is needed that the effect of the topographic (or residual terrain) masses be removed via application of the Newton integral in order to perform the downward continuation in a harmonic space. However, harmonization of the downward continuation domain may not be perfectly possible unless accurate information about the mass-density of the topographic masses be available. On the other hand, from the exploration point of view the unwanted topographical masses within the aforementioned procedure could be regarded as the signal. In order to overcome the effect of the remaining masses within the remove step of the GBVP, which cause uncertainties in mathematical modeling of the problem, here we are proposing a methodology for simultaneous solution of the geoid and residual surface density modeling In other words, a new mathematical model will be offered which both provides the needed harmonic space for downward continuation and at the same time accounts for the non-harmonic terms of gravitational field and makes use of it for residual mass density modeling within the topographic region. The presented new model enjoys from uniqueness of the solution, opposite to the inverse application of the Newton integral for mass density modeling which is non-unique, and only needs regularization to remove its instability problem. In this way, the solution of the model provides both the incremental harmonic gravitational potential on surface of the reference ellipsoid as the gravity field model and the lateral surface mass-density variations via the second derivatives of the non harmonic terms of gravitational field. As the case study and accuracy verification, the proposed

Density functional theory in surface science and heterogeneous catalysis

DEFF Research Database (Denmark)

Nørskov, Jens Kehlet; Scheffler, M.; Toulhoat, H.

2006-01-01

Solid surfaces are used extensively as catalysts throughout the chemical industry, in the energy sector, and in environmental protection. Recently, density functional theory has started providing new insight into the atomic-scale mechanisms of heterogeneous catalysis, helping to interpret the large...

Cast bulk metallic glass alloys: prospects as wear materials

Energy Technology Data Exchange (ETDEWEB)

Hawk, Jeffrey A.; Dogan, Omer N.; Shiflet, Gary J. (Dept. of Materials Science and Engineering, University of Virginia, Charlottesville, VA)

2005-01-01

Bulk metallic glasses are single phase materials with unusual physical and mechanical properties. One intriguing area of possible use is as a wear material. Usually, pure metals and single phase dilute alloys do not perform well in tribological conditions. When the metal or alloy is lightweight, it is usually soft leading to galling in sliding situations. For the harder metals and alloys, their density is usually high, so there is an energy penalty when using these materials in wear situations. However, bulk metallic glasses at the same density are usually harder than corresponding metals and dilute single phase alloys, and so could offer better wear resistance. This work will discuss preliminary wear results for metallic glasses with densities in the range of 4.5 to 7.9 g/cc. The wear behavior of these materials will be compared to similar metals and alloys.

Tunneling spectroscopy on semiconductors with a low surface state density

OpenAIRE

Sommerhalter, Christof; Matthes, Thomas W.; Boneberg, Johannes; Leiderer, Paul; Lux-Steiner, Martha Christina

1997-01-01

A detailed study of tunneling spectroscopy concerning semiconductors with a low surface state density is presented. For this purpose, I V curves under dark conditions and under illumination were measured on the (0001) van der Waals surface of a p-type WS2 single crystal, which is known to be free of intrinsic surface states. The measurements are interpreted by an analytical one-dimensional metal-insulator-semiconductor model, which shows that the presence of the finite tunneling current has ...

Surface density mapping of natural tissue by a scanning haptic microscope (SHM).

Science.gov (United States)

Moriwaki, Takeshi; Oie, Tomonori; Takamizawa, Keiichi; Murayama, Yoshinobu; Fukuda, Toru; Omata, Sadao; Nakayama, Yasuhide

2013-02-01

To expand the performance capacity of the scanning haptic microscope (SHM) beyond surface mapping microscopy of elastic modulus or topography, surface density mapping of a natural tissue was performed by applying a measurement theory of SHM, in which a frequency change occurs upon contact of the sample surface with the SHM sensor - a microtactile sensor (MTS) that vibrates at a pre-determined constant oscillation frequency. This change was mainly stiffness-dependent at a low oscillation frequency and density-dependent at a high oscillation frequency. Two paragon examples with extremely different densities but similar macroscopic elastic moduli in the range of natural soft tissues were selected: one was agar hydrogels and the other silicon organogels with extremely low (less than 25 mg/cm(3)) and high densities (ca. 1300 mg/cm(3)), respectively. Measurements were performed in saline solution near the second-order resonance frequency, which led to the elastic modulus, and near the third-order resonance frequency. There was little difference in the frequency changes between the two resonance frequencies in agar gels. In contrast, in silicone gels, a large frequency change by MTS contact was observed near the third-order resonance frequency, indicating that the frequency change near the third-order resonance frequency reflected changes in both density and elastic modulus. Therefore, a density image of the canine aortic wall was subsequently obtained by subtracting the image observed near the second-order resonance frequency from that near the third-order resonance frequency. The elastin-rich region had a higher density than the collagen-rich region.

Nucleonic density gauging -- an application in a chemical industry

International Nuclear Information System (INIS)

Rao, S.S.; Kirti; Jain, S.K.

1979-01-01

Hardly any conventional technique is available for on-line bulk density measurement. A typical problem of measurement of bulk density of detergent powder during production has been tackled. The nucleonic bulk density gauge developed by the Bhabha Atomic Research Centre, Bombay, is briefly explained. Problems of source selection, collimation of radiation, detection system, etc are described. Adequate compensation for environmental temperature changes was achieved. Tests on stability, etc were carried out in the laboratory and the plant. The experience in actual use is mentioned. With some modifications the system developed can be extended for density measurement and control of liquids, slurries, etc. Improvement in output linearity is also possible. (auth.)