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Sample records for density materials hedm

  1. Proceedings of the High Energy Density Matter (HEDM) Contractor’s Conference Held in Woods Hole, Massachusetts on 6-8 June 1993

    Science.gov (United States)

    1993-11-01

    remain localized. 112 We believe that this intense and well defined specumi with its long life time may be used to monitor production, annhiai, and...be a chemically bound excited state (CBES) of the sort that was investigated in some detail by others earlier in the life of the HEDM program. Since...The Johns Hopkins Uiversity Baltimore. MD 21218 Mfillard H. Alexander Department of Chemistry. University of Maryland College Park MD 20742 Introduction

  2. Synthesis, characterization, and properties of peroxo-based oxygen-rich compounds for potential use as greener high energy density materials

    Science.gov (United States)

    Gamage, Nipuni-Dhanesha Horadugoda

    One main aspect of high energy density material (HEDM) design is to obtain greener alternatives for HEDMs that produce toxic byproducts. Primary explosives lead azide, lead styphnate, and mercury fulminate contain heavy metals that cause heavy metal poisoning. Leaching of the widely used tertiary explosive NH4ClO4 into groundwater has resulted in human exposure to ClO4-- ions, which cause disruptions of thyroid related metabolic pathways and even thyroid cancer. Many research efforts to find replacements have gained little success. Thus, there is a need for greener HEDMs. Peroxo-based oxygen-rich compounds are proposed as a potential new class of greener HEDMs due to the evolution of CO2 and/or CO, H2O, and O 2 as the main decomposition products. Currently, triacetone triperoxide (TATP), diacetone diperoxide (DADP), hexamethylene triperoxide diamine (HMTD), and methyl ethyl ketone peroxide (MEKP) are the only well-studied highly energetic peroxides. However, due to their high impact and friction sensitivities, low thermal stabilities, and low detonation velocities they have not found any civil or military HEDM applications. In this dissertation research, we have synthesized and fully characterized four categories of peroxo-based compounds: tert-butyl peroxides, tert-butyl peroxy esters, hydroperoxides, and peroxy acids to perform a systematic study of their sensitivities and the energetic properties for potential use as greener HEDMs. tert-Butyl peroxides were not sensitive to impact, friction, or electrostatic spark. Hence, tert-butyl peroxides can be described as fairly safe peroxo-based compounds to handle. tert-Butyl peroxy esters were all surprisingly energetic (4896--6003 m/s), despite the low oxygen and nitrogen contents. Aromatic tert -butyl peroxy esters were much lower in impact and friction sensitivities with respect to the known peroxo-based explosives. These are among the first low sensitivity peroxo-based compounds that can be categorized as secondary

  3. Density functional theory and multiscale materials modeling

    Indian Academy of Sciences (India)

    One of the vital ingredients in the theoretical tools useful in materials modeling at all the length scales of interest is the concept of density. In the microscopic length scale, it is the electron density that has played a major role in providing a deeper understanding of chemical binding in atoms, molecules and solids.

  4. The quest for greater chemical energy storage in energetic materials: Grounding expectations

    Science.gov (United States)

    Lindsay, C. Michael; Fajardo, Mario E.

    2017-01-01

    It is well known that the performance of modern energetic materials based on organic chemistry has plateaued, with only ˜ 40% improvements realized over the past half century. This fact has stimulated research on alternative chemical energy storage schemes in various U.S. government funded "High Energy Density Materials" (HEDM) programs since the 1950's. These efforts have examined a wide range of phenomena such as free radical stabilization, metallic hydrogen, metastable helium, polynitrogens, extended molecular solids, nanothermites, and others. In spite of the substantial research investments, significant improvements in energetic material performance have not been forthcoming. This paper discusses the lessons learned in the various HEDM programs, the different degrees of freedom in which to store energy in materials, and the fundamental limitations and orders of magnitude of the energies involved. The discussion focuses almost exclusively on the topic of energy density and only mentions in passing other equally important properties of explosives and propellants such as gas generation and reaction rate.

  5. Density functional theory in materials science.

    Science.gov (United States)

    Neugebauer, Jörg; Hickel, Tilmann

    2013-09-01

    Materials science is a highly interdisciplinary field. It is devoted to the understanding of the relationship between (a) fundamental physical and chemical properties governing processes at the atomistic scale with (b) typically macroscopic properties required of materials in engineering applications. For many materials, this relationship is not only determined by chemical composition, but strongly governed by microstructure. The latter is a consequence of carefully selected process conditions (e.g., mechanical forming and annealing in metallurgy or epitaxial growth in semiconductor technology). A key task of computational materials science is to unravel the often hidden composition-structure-property relationships using computational techniques. The present paper does not aim to give a complete review of all aspects of materials science. Rather, we will present the key concepts underlying the computation of selected material properties and discuss the major classes of materials to which they are applied. Specifically, our focus will be on methods used to describe single or polycrystalline bulk materials of semiconductor, metal or ceramic form.

  6. Critical current densities in superconducting materials

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    in them cannot be raised beyond a point (about 1000 amps/cm2), and they are ... a superconducting material, the zero resistance property of the ..... force as a function of field (h = H/HC2 is in reduced units) for CeRu2 samples (Roy et al. 1998) ...

  7. All-Nitrogen Compounds as High Energy Density Materials

    National Research Council Canada - National Science Library

    Baum, Kurt; Willer, Rodney L; Bottaro, Jeffrey; Petrie, Mark; Penwell, Paul; Dodge, Allen; Malhotra, Ripu

    2005-01-01

    .... Enhanced dissolving power, density and compatibilities with a wide range of propellant ingredients make ionic liquids a very attractive class of materials for advanced state-of-the-art propulsion systems...

  8. MATERIAL COMPOSITIONS AND NUMBER DENSITIES FOR NEUTRONICS CALCULATIONS

    International Nuclear Information System (INIS)

    D. A. Thomas

    1996-01-01

    The purpose of this analysis is to calculate the number densities and isotopic weight percentages of the standard materials to be used in the neutronics (criticality and radiation shielding) evaluations by the Waste Package Development Department. The objective of this analysis is to provide material number density information which can be referenced by future neutronics design analyses, such as for those supporting the Conceptual Design Report

  9. Recommended reference materials for realization of physicochemical properties density

    CERN Document Server

    Herington, E F G

    1976-01-01

    This book first presents the nomenclature and units used in the determination of densities of liquids and solids, followed by a general description of the apparatus and the methods used in the measurement of density, with particular reference to the pycnometric, hydrostatic weighing, magnetic float, and temperature flotation methods. The use of water as a density reference material is then explained, focusing on the isotopic composition of Standard Mean Ocean Water (SMOW) and the absolute density of SMOW as a function of temperature. Problems due to the effect of pressure and dissolved gases o

  10. Proceedings of the High Energy Density Matter (HEDM) Conference Held in Rosslyn, Virginia on 12-13 May 1987,

    Science.gov (United States)

    1987-09-01

    compute quenc in ates arising rbo pin-orbit interactions. The ability to include the effect of spin-spin interactions is being incorporated in our program ...PROCUREMENT INSTRUMENT IDENTIFICATION NUMBER ORGANIZATION j(if applicable) Be. ADDRESS (City. State and ZIP Code) 10. SOURCE OF FUNDING NOS. PROGRAM ... overviev Maj Larry Davis (AF Office of Scientific Research), Lt Walt Lauderdale (AF Astronautics Laboratory) . . _Ieasurement of Charge Transfer

  11. High density data storage principle, technology, and materials

    CERN Document Server

    Zhu, Daoben

    2009-01-01

    The explosive increase in information and the miniaturization of electronic devices demand new recording technologies and materials that combine high density, fast response, long retention time and rewriting capability. As predicted, the current silicon-based computer circuits are reaching their physical limits. Further miniaturization of the electronic components and increase in data storage density are vital for the next generation of IT equipment such as ultra high-speed mobile computing, communication devices and sophisticated sensors. This original book presents a comprehensive introduction to the significant research achievements on high-density data storage from the aspects of recording mechanisms, materials and fabrication technologies, which are promising for overcoming the physical limits of current data storage systems. The book serves as an useful guide for the development of optimized materials, technologies and device structures for future information storage, and will lead readers to the fascin...

  12. Density determination of sintered ceramic nuclear fuel materials

    International Nuclear Information System (INIS)

    Landspersky, H.; Medek, J.

    1980-01-01

    The feasibility was tested of using solids for pycnometric determination of the density of uranium dioxide-based sintered ceramic fuel materials manufactured by the sol-gel method in the shape of spherical particles of 0.7 to 1.0 mm in size and of particles smaller than 200 μm. For fine particles, this is the only usable method of determining their density which is a very important parameter of the fine fraction when it is employed for the manufacture of fuel elements by vibration compacting. The method consists in compacting a mixture of pycnometric material and dispersed particles of uranium dioxide, determining the size and weight of the compact, and in calculating the density of the material measured from the weight of the oxide sample in the mixture. (author)

  13. Crystal density predictions for nitramines based on quantum chemistry

    International Nuclear Information System (INIS)

    Qiu Ling; Xiao Heming; Gong Xuedong; Ju Xuehai; Zhu Weihua

    2007-01-01

    An efficient and convenient method for predicting the crystalline densities of energetic materials was established based on the quantum chemical computations. Density functional theory (DFT) with four different basis sets (6-31G**, 6-311G**, 6-31+G**, and 6-311++G**) and various semiempirical molecular orbital (MO) methods have been employed to predict the molecular volumes and densities of a series of energetic nitramines including acyclic, monocyclic, and polycyclic/cage molecules. The relationships between the calculated values and experimental data were discussed in detail, and linear correlations were suggested and compared at different levels. The calculation shows that if the selected basis set is larger, it will expend more CPU (central processing unit) time, larger molecular volume and smaller density will be obtained. And the densities predicted by the semiempirical MO methods are all systematically larger than the experimental data. In comparison with other methods, B3LYP/6-31G** is most accurate and economical to predict the solid-state densities of energetic nitramines. This may be instructive to the molecular designing and screening novel HEDMs

  14. Novel nanostructured materials for high energy density supercapacitors

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, C.Z.; Zhang, X.G. [Nanjing Univ. of Aeronautics and Astronautics (China). College of Material Science and Engineering

    2010-07-01

    Researchers are currently examining methods of improving energy density while not sacrificing the high power density of supercapacitors. In this study, nanostructured materials assembled from nanometer-sized building blocks with mesoporosity were synthesized in order investigate diffusion time, kinetics, and capacitances. Petal-like cobalt hydroxide Co(OH){sub 2} mesocrystals, urchin-like Co(OH){sub 2} and dicobalt tetroxide (Co{sub 2}O{sub 4}) ordered arrays as well as N{sub i}O microspheres were assembled from 0-D nanoparticles, 1-D mesoporous nanowires and nanobelts, and 2-D mesoporous nanopetals. The study showed that all the synthesized nanostructured materials delivered larger energy densities while showing electrochemical stability at high rates.

  15. Density Functional Theory and Materials Modeling at Atomistic Length Scales

    Directory of Open Access Journals (Sweden)

    Swapan K. Ghosh

    2002-04-01

    Full Text Available Abstract: We discuss the basic concepts of density functional theory (DFT as applied to materials modeling in the microscopic, mesoscopic and macroscopic length scales. The picture that emerges is that of a single unified framework for the study of both quantum and classical systems. While for quantum DFT, the central equation is a one-particle Schrodinger-like Kohn-Sham equation, the classical DFT consists of Boltzmann type distributions, both corresponding to a system of noninteracting particles in the field of a density-dependent effective potential, the exact functional form of which is unknown. One therefore approximates the exchange-correlation potential for quantum systems and the excess free energy density functional or the direct correlation functions for classical systems. Illustrative applications of quantum DFT to microscopic modeling of molecular interaction and that of classical DFT to a mesoscopic modeling of soft condensed matter systems are highlighted.

  16. Density functional theory for hydrogen storage materials: successes and opportunities

    International Nuclear Information System (INIS)

    Hector, L G Jr; Herbst, J F

    2008-01-01

    Solid state systems for hydrogen storage continue to be the focus of considerable international research, driven to a large extent by technological demands, especially for mobile applications. Density functional theory (DFT) has become a valuable tool in this effort. It has greatly expanded our understanding of the properties of known hydrides, including electronic structure, hydrogen bonding character, enthalpy of formation, elastic behavior, and vibrational energetics. Moreover, DFT holds substantial promise for guiding the discovery of new materials. In this paper we discuss, within the context of results from our own work, some successes and a few shortcomings of state-of-the-art DFT as applied to hydrogen storage materials

  17. Effective atomic numbers and electron density of dosimetric material

    Directory of Open Access Journals (Sweden)

    Kaginelli S

    2009-01-01

    Full Text Available A novel method for determination of mass attenuation coefficient of x-rays employing NaI (Tl detector system and radioactive sources is described.in this paper. A rigid geometry arrangement and gating of the spectrometer at FWHM position and selection of absorber foils are all done following detailed investigation, to minimize the effect of small angle scattering and multiple scattering on the mass attenuation coefficient, m/r, value. Firstly, for standardization purposes the mass attenuation coefficients of elemental foils such as Aluminum, Copper, Molybdenum, Tantalum and Lead are measured and then, this method is utilized for dosimetric interested material (sulfates. The experimental mass attenuation coefficient values are compared with the theoretical values to find good agreement between the theory and experiment within one to two per cent. The effective atomic numbers of the biological substitute material are calculated by sum rule and from the graph. The electron density of dosimetric material is calculated using the effective atomic number. The study has discussed in detail the attenuation coefficient, effective atomic number and electron density of dosimetric material/biological substitutes.

  18. From Real Materials to Model Hamiltonians With Density Matrix Downfolding

    Directory of Open Access Journals (Sweden)

    Huihuo Zheng

    2018-05-01

    Full Text Available Due to advances in computer hardware and new algorithms, it is now possible to perform highly accurate many-body simulations of realistic materials with all their intrinsic complications. The success of these simulations leaves us with a conundrum: how do we extract useful physical models and insight from these simulations? In this article, we present a formal theory of downfolding–extracting an effective Hamiltonian from first-principles calculations. The theory maps the downfolding problem into fitting information derived from wave functions sampled from a low-energy subspace of the full Hilbert space. Since this fitting process most commonly uses reduced density matrices, we term it density matrix downfolding (DMD.

  19. Replacing critical rare earth materials in high energy density magnets

    Science.gov (United States)

    McCallum, R. William

    2012-02-01

    High energy density permanent magnets are crucial to the design of internal permanent magnet motors (IPM) for hybride and electric vehicles and direct drive wind generators. Current motor designs use rare earth permanent magnets which easily meet the performance goals, however, the rising concerns over cost and foreign control of the current supply of rare earth resources has motivated a search for non-rare earth based permanent magnets alloys with performance metrics which allow the design of permanent magnet motors and generators without rare earth magnets. This talk will discuss the state of non-rare-earth permanent magnets and efforts to both improve the current materials and find new materials. These efforts combine first principles calculations and meso-scale magnetic modeling with advance characterization and synthesis techniques in order to advance the state of the art in non rare earth permanent magnets. The use of genetic algorithms in first principle structural calculations, combinatorial synthesis in the experimental search for materials, atom probe microscopy to characterize grain boundaries on the atomic level, and other state of the art techniques will be discussed. In addition the possibility of replacing critical rare earth elements with the most abundant rare earth Ce will be discussed.

  20. Surface regulated arsenenes as Dirac materials: From density functional calculations

    International Nuclear Information System (INIS)

    Yuan, Junhui; Xie, Qingxing; Yu, Niannian; Wang, Jiafu

    2017-01-01

    Highlights: • The presence of Dirac cones in chemically decorated buckled arsenene AsX (X = CN, NC, NCO, NCS, and NCSe) has been revealed. • First-principles calculations show that all these chemically decorated arsenenes are kinetically stable in defending thermal fluctuations in room temperature. - Abstract: Using first principle calculations based on density functional theory (DFT), we have systematically investigated the structure stability and electronic properties of chemically decorated arsenenes, AsX (X = CN, NC, NCO, NCS and NCSe). Phonon dispersion and formation energy analysis reveal that all the five chemically decorated buckled arsenenes are energetically favorable and could be synthesized. Our study shows that wide-bandgap arsenene would turn into Dirac materials when functionalized by -X (X = CN, NC, NCO, NCS and NCSe) groups, rendering new promises in next generation high-performance electronic devices.

  1. Optical properties of two-dimensional charge density wave materials

    Science.gov (United States)

    Sayers, Charles; Karbassi, Sara; Friedemann, Sven; da Como, Enrico

    Titanium diselenide (TiSe2) is a member of the layered transition metal dichalcogenide (TMD) materials. It exhibits unusual chiral charge ordering below 190 K after undergoing an initial phase transition to a commensurate (2 x 2 x 2) charge density wave (CDW) at 200 K which is enhanced further in the monolayer. Recently, the first evidence of chirality in a CDW system was discovered in this material by scanning tunneling microscopy and time-resolved reflectivity experiments, where separate left and right handed charge-ordered domains were found to exist within a single sample. We have prepared single crystals of 1T-TiSe2 using iodine vapour transport, and confirmed their quality by x-ray analysis and charge transport measurements. Using a combination of polarised optical spectroscopy techniques in the mid to far infrared (4 to 700 meV photon energy), we have measured an anisotropy relating to the CDW gap. We discuss the results on the basis of chiral domains with different handedness and the nature of the CDW transition.

  2. Superconductivity, intergrain, and intragrain critical current densities of materials

    International Nuclear Information System (INIS)

    Thompson, J.R.; Brynestad, J.; Kroeger, D.M.; Kim, Y.C.; Sekula, S.T.; Christen, D.K.; Specht, E.D.

    1989-01-01

    Bulk sintered and powdered samples of the high-temperature superconductive compounds Tl 2 Ca 2 Ba 2 Cu 3 O/sub 1+//sub δ/ (Tl-2:2:2:3) and Tl 2 Ca 2 Ba 2 Cu 2 O/sub 8+//sub δ/ (Tl-2:1:2:2) have been synthesized with phase purity of approximately 90%. The materials were characterized by x-ray-diffraction, metallographic, and electron microprobe analyses. The electronic and superconductive properties were investigated through measurement of the electrical resistivity and the critical current density J/sub c/ using transport methods and by extensive magnetization measurements. Primary results and conclusions are that (1) the intragrain J/sub c/ values were large, much larger than the transport values; (2) both sintered and powdered materials exhibited large flux creep; (3) and the J/sub c/ decreased exponentially with temperature. These features are qualitatively very similar to those found in the corresponding YBa 2 Cu 3 O/sub z/ (with z≅7) series of compounds

  3. Density as a factor limiting the workability of P/M materials

    International Nuclear Information System (INIS)

    Libura, W.; Zasadzinski, J.

    1993-01-01

    In this study a general scheme expressing the factors which affect a workability of powder materials is presented. It was found from laboratory experiments that workability of powder metal materials is limited by their density. Aluminium based materials with additions of Cu, Ni and Sn were used in the experiments. Workability determined in compression tests depends strongly on a sintered density, independently of the chemical composition of material. A linear dependence between workability and sintered density was found. The results are related to relatively high density values, taken from the range of 0.85-0.96 of theoretical density. (orig.)

  4. The role of adequate reference materials in density measurements in hemodialysis

    Science.gov (United States)

    Furtado, A.; Moutinho, J.; Moura, S.; Oliveira, F.; Filipe, E.

    2015-02-01

    In hemodialysis, oscillation-type density meters are used to measure the density of the acid component of the dialysate solutions used in the treatment of kidney patients. An incorrect density determination of this solution used in hemodialysis treatments can cause several and adverse events to patients. Therefore, despite the Fresenius Medical Care (FME) tight control of the density meters calibration results, this study shows the benefits of mimic the matrix usually measured to produce suitable reference materials for the density meter calibrations.

  5. The role of adequate reference materials in density measurements in hemodialysis

    International Nuclear Information System (INIS)

    Furtado, A; Moura, S; Filipe, E; Moutinho, J; Oliveira, F

    2015-01-01

    In hemodialysis, oscillation-type density meters are used to measure the density of the acid component of the dialysate solutions used in the treatment of kidney patients. An incorrect density determination of this solution used in hemodialysis treatments can cause several and adverse events to patients. Therefore, despite the Fresenius Medical Care (FME) tight control of the density meters calibration results, this study shows the benefits of mimic the matrix usually measured to produce suitable reference materials for the density meter calibrations

  6. A review of low density porous materials used in laser plasma experiments

    Science.gov (United States)

    Nagai, Keiji; Musgrave, Christopher S. A.; Nazarov, Wigen

    2018-03-01

    This review describes and categorizes the synthesis and properties of low density porous materials, which are commonly referred to as foams and are utilized for laser plasma experiments. By focusing a high-power laser on a small target composed of these materials, high energy and density states can be produced. In the past decade or so, various new target fabrication techniques have been developed by many laboratories that use high energy lasers and consequently, many publications and reviews followed these developments. However, the emphasis so far has been on targets that did not utilize low density porous materials. This review therefore, attempts to redress this balance and endeavors to review low density materials used in laser plasma experiments in recent years. The emphasis of this review will be on aspects of low density materials that are of relevance to high energy laser plasma experiments. Aspects of low density materials such as densities, elemental compositions, macroscopic structures, nanostructures, and characterization of these materials will be covered. Also, there will be a brief mention of how these aspects affect the results in laser plasma experiments and the constrictions that these requirements put on the fabrication of low density materials relevant to this field. This review is written from the chemists' point of view to aid physicists and the new comers to this field.

  7. Material density measurements from dynamic flash x-ray radiographs using axisymmetric tomography

    International Nuclear Information System (INIS)

    Fugelso, E.

    1981-03-01

    The axisymmetric version of the tomographic x-ray reconstruction procedures has been utilized to determine the material density for the impact of a cylinder on a steel plate. Derivations of the reconstruction algorithms relating x-ray radiographic intensities to the material densities are presented. Effects of noise, point spread functions, and motion blur are minimized

  8. Relative Density of Backfilled Soil Material around Monopiles for Offshore Wind Turbines

    DEFF Research Database (Denmark)

    Sørensen, Søren Peder Hyldal; Ibsen, Lars Bo; Frigaard, Peter

    2012-01-01

    The relative density of backfilled soil material around offshore monopiles is assessed through experimental testing in the Large Wave Channel (GWK) of the Coastal Research Centre (FZK) in Hannover. The relative density of the backfill material was found to vary between 65 and 80 %. The dependency...... of the relative density of backfill on the maximum pile bending moment is assessed through three-dimensional numerical modeling of a monopile foundation located at the offshore wind farm at Horns Reef, Denmark....

  9. Calculation of crack stress density of cement base materials

    Directory of Open Access Journals (Sweden)

    Chun-e Sui

    2018-01-01

    Full Text Available In this paper, the fracture load of cement paste with different water cement ratio, different mineral admixtures, including fly ash, silica fume and slag, is obtained through experiments. the three-dimensional fracture surface is reconstructed and the three-dimensional effective area of the fracture surface is calculated. the effective fracture stress density of different cement paste is obtained. The results show that the polynomial function can accurately describe the relationship between the three-dimensional total area and the tensile strength

  10. Cathode Materials for High Energy Density Lithium Batteries

    Directory of Open Access Journals (Sweden)

    Lefèvre G.

    2017-01-01

    Li2MnSiO4 has a large theoretical specific capacity (333 mAh/g through exchange of 2 lithium ions per formula unit. The thermal stability due to strong Si-O bonds makes LiMnSiO a very promising material for future energy storage in space applications. Preparation in inert atmosphere showed beneficial improvements of LMSO’s electrochemical properties. Nano-sizing and carbon coating have been effective ways to improve electronic conductivity and therefore electrochemical performance. Up to 1.66 Li per formula unit can be re-inserted in the 1st cycle. XRD analysis showed complete amorphization of Li2MnSiO4 after the 1st charge at 4.8 V with complete modification of the charge/discharge curves in the next cycles. Increasing the carbon coating ratio limits capacity loss during cycling but did not avoid amorphization. Finally influence of voltage window on structure stability was investigated. Careful choice of upper limit voltage has been showed to stabilize Li2MnSiO4 structure but for now is still limited to low Li+ insertion/extraction from the host material.

  11. Density-Driven Currents and Deposition of Fine Materials

    DEFF Research Database (Denmark)

    Saremi, Sina

    Dredging is a key element in river, ports, coastal and offshore development. In general dredging is conducted for excavation at the river,lake or seabed, relocation of the material, maintenance of the navigation channels, mining underwater deposits, land reclamation or cleaning up the environment...... and the local conditions determine the level of environmental interference and the impacts caused by the dredging projects. Sediment spillage from hopper overflow constitutes a source for sediment plumes and can also impact the turbidity of aquatic environments. The overflowing mixture is often different from...... the mixture pumped into the hopper (the inflow), because the mixture undergoes compositional transformation as a result of different timescales in the segregation of the various sediment fractions. A proper description of the compositional transformation during filling and subsequent overflow stages can...

  12. Evaluation of van der Waals density functionals for layered materials

    Science.gov (United States)

    Tawfik, Sherif Abdulkader; Gould, Tim; Stampfl, Catherine; Ford, Michael J.

    2018-03-01

    In 2012, Björkman et al. posed the question "Are we van der Waals ready?" [T. Björkman et al., J. Phys.: Condens. Matter 24, 424218 (2012), 10.1088/0953-8984/24/42/424218] about the ability of ab initio modeling to reproduce van der Waals (vdW) dispersion forces in layered materials. The answer at that time was no, however. Here we report on a new generation of vdW dispersion models and show that one, i.e., the fractionally ionic atom theory with many-body dispersions, offers close to quantitative predictions for layered structures. Furthermore, it does so from a qualitatively correct picture of dispersion forces. Other methods, such as D3 and optB88vdW, also work well, albeit with some exceptions. We thus argue that we are nearly vdW ready and that some modern dispersion methods are accurate enough to be used for nanomaterial prediction, albeit with some caution required.

  13. Advanced Cathode Material For High Energy Density Lithium-Batteries, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Advanced cathode materials having high red-ox potential and high specific capacity offer great promise to the development of high energy density lithium-based...

  14. Density functional theory and beyond-opportunities for quantum methods in materials modeling semiconductor technology

    International Nuclear Information System (INIS)

    Shankar, Sadasivan; Simka, Harsono; Haverty, Michael

    2008-01-01

    In the semiconductor industry, the use of new materials has been increasing with the advent of nanotechnology. As critical dimensions decrease, and the number of materials increases, the interactions between heterogeneous materials themselves and processing increase in complexity. Traditionally, applications of ab initio techniques are confined to electronic structure and band gap calculations of bulk materials, which are then used in coarse-grained models such as mesoscopic and continuum models. Density functional theory is the most widely used ab initio technique that was successfully extended to several applications. This paper illustrates applications of density functional theory to semiconductor processes and proposes further opportunities for use of such techniques in process development

  15. Mechanical Properties of Medium Density Fibreboard Composites Material Using Recycled Rubber and Coconut Coir

    OpenAIRE

    S. Mahzan; A.M. Ahmad Zaidi; M.I. Ghazali; N. Arsat; M.N. M. Hatta

    2010-01-01

    Natural fibre reinforced composite has emerged as highly potential replacement for synthetic fibres. Various natural waste fibres have been adopted for various engineering applications. This paper investigates the mechanical properties of medium density fibreboard composites material fabricated using recycled rubber and coconut coir. The suitability of using recycled rubber and coconut coir as a raw material and polyurethane as a resin in the manufacturer of medium density fibreboard was also...

  16. Effect of density on forward and upward smoldering combustion of cellulosic material

    Science.gov (United States)

    Veronica, Sherly; Putri, R. H.; Fitriani, F.; Ramadhan, M. L.; Riki, M.; Reynaldo, S.; Imran, F. A.; Nugroho, Yulianto S.

    2017-03-01

    Smoldering is a slow, flameless and the most persistent type of combustion. Wildland fire or ground fire is an example of smoldering combustion which has become one of the most important issue in Indonesia and no effective solution has been found to solve this phenomenon yet. The organic materials contained in peatland can potentially become a flammable fuel with the presence of a trigger for wildland fire. In this experimental work tobacco material was used to study smoldering phenomenon. The relation between material density with temperature distribution and mass loss rate are conducted in the experiment. The transmissivity of the smoke produced by the smoldering combustion will also be analyzed. Experiments are carried out for the material density ranging from 0.12 - 0.2 g/cm3. The result showed that smoldering combustion are affected by density, due to the allowance of airflow and heat propagation. The result showed that material bed with the lowest density of 0.12 g/cm3 has the slowest smoldering velocity and mass loss rate while the material bed with the highest density of 0.2 g/cm3 has the fastest smoldering velocity and mass loss rate. The smoke took a longer period time to reach the bed surface at higher bed density.

  17. Minnealloy: a new magnetic material with high saturation flux density and low magnetic anisotropy

    Science.gov (United States)

    Mehedi, Md; Jiang, Yanfeng; Suri, Pranav Kumar; Flannigan, David J.; Wang, Jian-Ping

    2017-09-01

    We are reporting a new soft magnetic material with high saturation magnetic flux density, and low magnetic anisotropy. The new material is a compound of iron, nitrogen and carbon, α‧-Fe8(NC), which has saturation flux density of 2.8  ±  0.15 T and magnetic anisotropy of 46 kJ m-3. The saturation flux density is 27% higher than pure iron, a widely used soft magnetic material. Soft magnetic materials are very important building blocks of motors, generators, inductors, transformers, sensors and write heads of hard disk. The new material will help in the miniaturization and efficiency increment of the next generation of electronic devices.

  18. Encapsulation of low density plastic foam materials for the fast ignition realization experiment (FIREX). Control of microstructure and density

    International Nuclear Information System (INIS)

    Nagai, Keiji; Yang, H.; Iwamoto, A.

    2008-10-01

    Development of foam capsule fabrication for cryogenically cooled fuel targets is overviewed in the present paper. The fabrication development was initiated as a part of the Fast Ignition Realization Experiment (FIREX) Project at the ILE, Osaka University in the way of bilateral collaboration between Osaka University and National Institute for Fusion Science (NIFS). A foam cryogenic target was designed where low-density foam shells with a conical light guide will be cooled down to the cryogenic temperature and will be fueled through a narrow pipe. The required diameter and thickness of the capsule are 500 μm and 20 μm, respectively. The material should be low-density plastics foam. We have prepared such capsules using 1) mixtureing a new material of (phloroglucinolcarboxylic acid)/formalin (PF) linear polymer to control kinematic viscosity of the precursor, 2) phase-transfer-catalyzed gelation process to keep density matching of three phases of the emulsion. 3) non-volatile silicone oil as outer oil of emulsion in order to prevent hazard halogenated hydrocarbon and flammable mineral oil. The obtained foam capsule had fine structure of 180 nm (outer surface) to 220 nm (inner surface) and uniform thickness reaching to resolution limit of optical analysis (∼0.5 μm). A small hole was made before the solvent exchange and the drying process to prevent distortion due to volume changes. The density of dried foam was 0.29 g/cm 3 . After attaching the petawatt laser guiding cone and fueling glass tube, poly([2,2]paracyclophane) was coated on the foam surface and supplied for a fueling test of cryogenic hydrogen. Generally, lower density is from larger pore, then precise control of thickness and its encapsulation becomes more difficult. We have clarified the relation between pore size and preparation conditions using several precursor materials, and revealed how to control pore size of low density foams, where the solvent affinity for the polymer chain plays fundamental

  19. Density comparison of 3D printing materials and the human body

    Energy Technology Data Exchange (ETDEWEB)

    Savi, M.; Silveira, L.C.; Cechinel, C.M.; Soares, F.A.P., E-mail: Matheus.savi@ifsc.edu.br [Instituo Federal de Santa Catarina (IFSC), Florianópolis (Brazil). Departamento Acadêmico de Saúde e Serviços; Potiens, M.P.A. [Instituto de Pesquisas Energéticas Nucleares (IPEN/CNEN-SP), São Paulo, SP (Brazil). Lab. de Calibração de Instrumentos

    2017-07-01

    Introduction: Phantoms are commonly used for teaching and radiation dosimetry as a simulator of the human body in order that no individual be exposed to radiation during training and research. Some are the properties that can be used as a measurement parameter in a phantom: density, energy compatibility, attenuation and scattering of the radiation, anthropomorphism, among others. 3D printing has revolutionized many areas of knowledge, including those that make use of radiations. In this context, this study aims to evaluate the density of various materials applied in 3D printing and compare found values with human body density in ICRP 110. Methods: Cubes with 2cm edges were printed on 12 materials of different compositions with internal filling of 60 %, 80% and 100%, weighed on a precision balance and measured with a caliper. Results: The densities found ranged from 0,575 g/cm³ to 2,624 g/cm³ for 60% infill, 0,686 g/cm³ to 3,091 g/cm³ for 80% and 0,794 g/cm³ to 3,572 g/cm³ for 100%. Densities related to teeth, bones, muscles, fat, among others, could be created from specific infill variations. Conclusion: All analyzed materials have the capacity to mimic the structures described in ICRP 110 when the percentage of filling are varied. However, even achieving human tissue density the materials may be not adequate for attenuation and require further experiments. (author)

  20. Density comparison of 3D printing materials and the human body

    International Nuclear Information System (INIS)

    Savi, M.; Silveira, L.C.; Cechinel, C.M.; Soares, F.A.P.; Potiens, M.P.A.

    2017-01-01

    Introduction: Phantoms are commonly used for teaching and radiation dosimetry as a simulator of the human body in order that no individual be exposed to radiation during training and research. Some are the properties that can be used as a measurement parameter in a phantom: density, energy compatibility, attenuation and scattering of the radiation, anthropomorphism, among others. 3D printing has revolutionized many areas of knowledge, including those that make use of radiations. In this context, this study aims to evaluate the density of various materials applied in 3D printing and compare found values with human body density in ICRP 110. Methods: Cubes with 2cm edges were printed on 12 materials of different compositions with internal filling of 60 %, 80% and 100%, weighed on a precision balance and measured with a caliper. Results: The densities found ranged from 0,575 g/cm³ to 2,624 g/cm³ for 60% infill, 0,686 g/cm³ to 3,091 g/cm³ for 80% and 0,794 g/cm³ to 3,572 g/cm³ for 100%. Densities related to teeth, bones, muscles, fat, among others, could be created from specific infill variations. Conclusion: All analyzed materials have the capacity to mimic the structures described in ICRP 110 when the percentage of filling are varied. However, even achieving human tissue density the materials may be not adequate for attenuation and require further experiments. (author)

  1. Aqueous supercapacitors of high energy density based on MoO3 nanoplates as anode material.

    Science.gov (United States)

    Tang, Wei; Liu, Lili; Tian, Shu; Li, Lei; Yue, Yunbo; Wu, Yuping; Zhu, Kai

    2011-09-28

    MoO(3) nanoplates were prepared as anode material for aqueous supercapacitors. They can deliver a high energy density of 45 W h kg(-1) at 450 W kg(-1) and even maintain 29 W h kg(-1) at 2 kW kg(-1) in 0.5 M Li(2)SO(4) aqueous electrolyte. These results present a new direction to explore non-carbon anode materials.

  2. A new equation of state for porous materials with ultra-low densities

    CERN Document Server

    Geng Hua Yun; Wu Qiang

    2002-01-01

    A thermodynamic equation of state is derived which is appropriate for investigating the thermodynamic variations along isobaric paths to predict compression behaviours of porous materials. This equation-of-state model is tested on porous iron, copper, lead and tungsten with different initial densities. The calculated Hugoniots are in good agreement with the corresponding experimental data published previously. This shows that this model can satisfactorily predict the Hugoniots of porous materials with wide porosity and pressure ranges.

  3. Reliability assessment of a bi-material notch: Strain energy density factor approach

    Czech Academy of Sciences Publication Activity Database

    Klusák, Jan; Knésl, Zdeněk

    2010-01-01

    Roč. 53, č. 2 (2010), s. 89-93 ISSN 0167-8442 R&D Projects: GA ČR GAP108/10/2049; GA ČR GA101/08/0994 Institutional research plan: CEZ:AV0Z20410507 Keywords : crack initiation * bi-material notch * strain energy density factor Subject RIV: JL - Materials Fatigue, Friction Mechanics Impact factor: 1.073, year: 2010

  4. Radiometric determinations of linear mass, resin levels and density of composite materials

    International Nuclear Information System (INIS)

    Boutaine, J.L.; Pintena, J.; Tanguy, J.C.

    1978-01-01

    A description is given of the principle, characteristics and performances of a gamma back-scattering gauge developed in cooperation between the CEA and SNPE. This instrument allows for on-line inspection of the linear mass and resin level of strips of composite materials whilst being produced. The industrial application involved boron, carbon and 'Kevlar' fibres. The performance of beta and gamma transmission gauges are also given for inspecting the density of panels and dense composite materials [fr

  5. Practical high-density shielding materials for medical linear accelerator rooms

    International Nuclear Information System (INIS)

    Barish, R.J.

    1990-01-01

    High-energy linear accelerators are replacing lower energy units in radiation therapy centers. Radiation protection requirements necessitate expensive reconstruction of existing treatment rooms to accommodate these new machines. We describe two shielding materials: one made by embedding small pieces of scrap steel in cement, and the other made with cast iron in cement. Both materials produce high-density barriers at low cost using standard construction methods

  6. A zero density change phase change memory material: GeTe-O structural characteristics upon crystallisation.

    Science.gov (United States)

    Zhou, Xilin; Dong, Weiling; Zhang, Hao; Simpson, Robert E

    2015-06-11

    Oxygen-doped germanium telluride phase change materials are proposed for high temperature applications. Up to 8 at.% oxygen is readily incorporated into GeTe, causing an increased crystallisation temperature and activation energy. The rhombohedral structure of the GeTe crystal is preserved in the oxygen doped films. For higher oxygen concentrations the material is found to phase separate into GeO2 and TeO2, which inhibits the technologically useful abrupt change in properties. Increasing the oxygen content in GeTe-O reduces the difference in film thickness and mass density between the amorphous and crystalline states. For oxygen concentrations between 5 and 6 at.%, the amorphous material and the crystalline material have the same density. Above 6 at.% O doping, crystallisation exhibits an anomalous density change, where the volume of the crystalline state is larger than that of the amorphous. The high thermal stability and zero-density change characteristic of Oxygen-incorporated GeTe, is recommended for efficient and low stress phase change memory devices that may operate at elevated temperatures.

  7. Measuring the Density of Different Materials by Using the Collimated Fast Neutron Beam

    Energy Technology Data Exchange (ETDEWEB)

    Sudac, D.; Nad, K.; Orlic, Z.; Obhodas, J. [Rudjer Boskovic Institute, Bijenicka c. 54, 10000 Zagreb (Croatia); Valkovic, V. [Rudjer Boskovic Institute, Zagreb (Croatia); Kvinticka 62, Zagreb (Croatia)

    2015-07-01

    It was demonstrated in the previous work that various threat materials could be detected inside the sea going cargo container by measuring the three variables, carbon and oxygen concentration and density of investigated material. Density was determined by measuring transmitted neutrons, which is not always practical in terms of setting up the instrument geometry. In order to enable more geometry flexibility, we have investigated the possibility of using the scattered neutrons in cargo material identification. For that purpose, the densities of different materials were measured depending on the position of neutron detectors and neutron generator with respect to the target position. One neutron detector was put above the target, one behind and one in front of the target, above the neutron generator. It was shown that all three positions of neutron detectors can be successfully used to measure the target density, but only if the detected neutrons are successfully discriminated from the gamma rays. Although the associated alpha particle technique/associate particle imaging (API) was used to discriminate the neutrons from the gamma rays, it is believed that the same results would be obtained by using the pulse shape discrimination method. In that way API technique can be avoided and the neutron generator which produces much higher beam intensity than 10{sup 8} n/s can be used. (authors)

  8. 'Anomalous electron transport' with 'Giant Current Density' at room temperature observed with nanogranular materials

    International Nuclear Information System (INIS)

    Koops, Hans W.P.

    2013-01-01

    Focused electron beam induced deposition is a novel bottom up nano-structurization technology. An electron beam of high power density is used to generate nano- structures with dimensions > 20 nm, but being composed from amorphous or nanogranular materials with crystals of 2 to 5 nm diameter embedded in a Fullerene matrix. Those compounds are generated in general by secondary or low energy electrons in layers of inorganic, organic, organometallic compounds absorbed to the sample. Those are converted into nanogranular materials by the electron beam following chemical and physical laws, as given by 'Mother Nature'. Metals and amorphous mixtures of chemical compounds from metals are normal resistors, which can carry a current density J 2 . Nanogranular composites like Au/C or Pt/C with metal nanocrystals embedded in a Fullerene matrix have hopping conduction with 0-dimensional Eigen-value characteristics and show 'anomalous electron transport' and can carry 'Giant Current Densities' with values from > 1 MA/cm 2 to 0.1 GA/cm 2 without destruction of the materials. However the area connecting the nanogranular material with a metal with a 3-dimensional electron gas needs to be designed, that the flowing current is reduced to the current density values which the 3-D metal can support without segregation. The basis for a theoretical explanation of the phenomenon can be geometry quantization for Coulomb blockade, of electron surface orbitals around the nanocrystals, hopping conduction, and the limitation of the density of states for phonons in geometry confined non percolated granular materials with strong difference in mass and orientation. Several applications in electronics, signal generators, light sources, detectors, and solar energy harvesting are suggested. (author)

  9. Distributed material density and anisotropy for optimized eigenfrequency of 2D continua

    DEFF Research Database (Denmark)

    Pedersen, Pauli; Pedersen, Niels Leergaard

    2015-01-01

    A practical approach to optimize a continuum/structural eigenfrequency is presented, including design of the distribution of material anisotropy. This is often termed free material optimization (FMO). An important aspect is the separation of the overall material distribution from the local design...... with respect to material density and from this values of the element OC. Each factor of this expression has a physical interpretation. Stated alternatively, the optimization problem of material distribution is converted into a problem of determining a design of uniform OC values. The constitutive matrices...... are described by non-dimensional matrices with unity norms of trace and Frobenius, and thus this part of the optimized design has no influence on the mass distribution. Gradients of eigenfrequency with respect to the components of these non-dimensional constitutive matrices are therefore simplified...

  10. Theoretical foundations for reconstruction of the materials density by means of two-energy radiography

    International Nuclear Information System (INIS)

    Naydenov, S.V.; Ryzhikov, V.

    2003-01-01

    In non-destructive testing of building constructions, concrete structures, granular and powder materials, mixtures, alloys, etc. it is often very important to determine their mass and/or surface density. Density decreases or increases with respect to the standard values can substantially lower the quality of functional materials, as well strength of joints and constructions. In this paper, we have shown theoretically that the most complete solution of the inverse problem of quantitative reconstruction of the density profile can be given by means of two-energy radiography. A general expressions has been obtained for the surface density of an arbitrary material. Theoretically, the accuracy of the method is within several percent. An important point is that the approach proposed does not require any preliminary knowledge about physical or chemical composition of the tested object. This allows the use of the developed algorithm for universal testing of various construction objects in building and industry, including situations of prolonged service, when the chemical structure can get substantially changed. Among possible applications of the new method there are control testing in building and building industry, railway and vehicle transport, diagnostics of oil and gas pipes, hydrotechnical constructions (dams), etc

  11. Density scaling of phantom materials for a 3D dose verification system.

    Science.gov (United States)

    Tani, Kensuke; Fujita, Yukio; Wakita, Akihisa; Miyasaka, Ryohei; Uehara, Ryuzo; Kodama, Takumi; Suzuki, Yuya; Aikawa, Ako; Mizuno, Norifumi; Kawamori, Jiro; Saitoh, Hidetoshi

    2018-05-21

    In this study, the optimum density scaling factors of phantom materials for a commercially available three-dimensional (3D) dose verification system (Delta4) were investigated in order to improve the accuracy of the calculated dose distributions in the phantom materials. At field sizes of 10 × 10 and 5 × 5 cm 2 with the same geometry, tissue-phantom ratios (TPRs) in water, polymethyl methacrylate (PMMA), and Plastic Water Diagnostic Therapy (PWDT) were measured, and TPRs in various density scaling factors of water were calculated by Monte Carlo simulation, Adaptive Convolve (AdC, Pinnacle 3 ), Collapsed Cone Convolution (CCC, RayStation), and AcurosXB (AXB, Eclipse). Effective linear attenuation coefficients (μ eff ) were obtained from the TPRs. The ratios of μ eff in phantom and water ((μ eff ) pl,water ) were compared between the measurements and calculations. For each phantom material, the density scaling factor proposed in this study (DSF) was set to be the value providing a match between the calculated and measured (μ eff ) pl,water . The optimum density scaling factor was verified through the comparison of the dose distributions measured by Delta4 and calculated with three different density scaling factors: the nominal physical density (PD), nominal relative electron density (ED), and DSF. Three plans were used for the verifications: a static field of 10 × 10 cm 2 and two intensity modulated radiation therapy (IMRT) treatment plans. DSF were determined to be 1.13 for PMMA and 0.98 for PWDT. DSF for PMMA showed good agreement for AdC and CCC with 6 MV x ray, and AdC for 10 MV x ray. DSF for PWDT showed good agreement regardless of the dose calculation algorithms and x-ray energy. DSF can be considered one of the references for the density scaling factor of Delta4 phantom materials and may help improve the accuracy of the IMRT dose verification using Delta4. © 2018 The Authors. Journal of Applied Clinical Medical Physics published by Wiley

  12. Pulse Power Capability Of High Energy Density Capacitors Based on a New Dielectric Material

    Science.gov (United States)

    Winsor, Paul; Scholz, Tim; Hudis, Martin; Slenes, Kirk M.

    1999-01-01

    A new dielectric composite consisting of a polymer coated onto a high-density metallized Kraft has been developed for application in high energy density pulse power capacitors. The polymer coating is custom formulated for high dielectric constant and strength with minimum dielectric losses. The composite can be wound and processed using conventional wound film capacitor manufacturing equipment. This new system has the potential to achieve 2 to 3 J/cu cm whole capacitor energy density at voltage levels above 3.0 kV, and can maintain its mechanical properties to temperatures above 150 C. The technical and manufacturing development of the composite material and fabrication into capacitors are summarized in this paper. Energy discharge testing, including capacitance and charge-discharge efficiency at normal and elevated temperatures, as well as DC life testing were performed on capacitors manufactured using this material. TPL (Albuquerque, NM) has developed the material and Aerovox (New Bedford, MA) has used the material to build and test actual capacitors. The results of the testing will focus on pulse power applications specifically those found in electro-magnetic armor and guns, high power microwave sources and defibrillators.

  13. Interaction of a high-power laser pulse with supercritical-density porous materials

    International Nuclear Information System (INIS)

    Gus'kov, Sergei Yu; Rozanov, Vladislav B; Caruso, A; Strangio, C

    2000-01-01

    The properties of a nonequilibrium plasma produced by high-power laser pulses with intensities I L ∼ 10 14 -10 15 W cm -2 irradiating plane targets made of a porous material are investigated. The mean density of matter in targets was substantially higher than the critical plasma density corresponding to a plasma resonance. The density of porous material was ρ a ∼ 1 - 20 mg cm -3 , whereas the critical density at the wavelength of incident radiation was ρ cr ∼ 3 mg cm -3 . An anomalously high absorption (no less than 80%) of laser radiation inside a target was observed. Within the first 3 - 4 ns of interaction, the plasma flow through the irradiated target surface in the direction opposite of the direction of the laser beam was noticeably suppressed. Only about 5% of absorbed laser energy was transformed into the energy of particles in this flow during the laser pulse. Absorbed energy was stored as the internal plasma energy at this stage (the greenhouse effect). Then, this energy was transformed, similar to a strong explosion, into the energy of a powerful hydrodynamic flow of matter surrounding the absorption region. The specific features of the formation and evolution of a nonequilibrium laser-produced plasma in porous media are theoretically analysed. This study allows the results of experiments to be explained. In particular, we investigated absorption of laser radiation in the bulk of a target, volume evaporation of porous material, the expansion of a laser-produced plasma inside the pores, stochastic collisions of plasma flows, and hydrothermal energy dissipation. These processes give rise to long-lived oscillations of plasma density and lead to the formation of an internal region where laser radiation is absorbed. (invited paper)

  14. Fullerene-based low-density superhard materials with tunable bandgaps

    Science.gov (United States)

    Cao, Ai-Hua; Zhao, Wen-Juan; Gan, Li-Hua

    2018-06-01

    Four carbon allotropes built from tetrahedral symmetrical fullerenes C28 and C40 are predicted to be superhard materials with mass density around that of water, and all of them are porous semiconductors. Both the bandgaps and hardness decrease with increasing ratio of sp2 hybridized carbon atoms. The mechanical and thermodynamic stabilities of C28- and C40-based allotropes at zero pressure are confirmed by a variety of state-of-the-art theoretical calculations. The evolution trend of bandgap found here suggests that one can obtain low-density hard materials with tunable bandgaps by substituting the carbon atom in diamond with different Td-symmetrical non-IPR fullerene Cn.

  15. Dimensional Crossover in a Charge Density Wave Material Probed by Angle-Resolved Photoemission Spectroscopy

    Science.gov (United States)

    Nicholson, C. W.; Berthod, C.; Puppin, M.; Berger, H.; Wolf, M.; Hoesch, M.; Monney, C.

    2017-05-01

    High-resolution angle-resolved photoemission spectroscopy data reveal evidence of a crossover from one-dimensional (1D) to three-dimensional (3D) behavior in the prototypical charge density wave (CDW) material NbSe3 . In the low-temperature 3D regime, gaps in the electronic structure are observed due to two incommensurate CDWs, in agreement with x-ray diffraction and electronic-structure calculations. At higher temperatures we observe a spectral weight depletion that approaches the power-law behavior expected in one dimension. From the warping of the quasi-1D Fermi surface at low temperatures, we extract the energy scale of the dimensional crossover. This is corroborated by a detailed analysis of the density of states, which reveals a change in dimensional behavior dependent on binding energy. Our results offer an important insight into the dimensionality of excitations in quasi-1D materials.

  16. Recent Advances in Two-Dimensional Materials with Charge Density Waves: Synthesis, Characterization and Applications

    Directory of Open Access Journals (Sweden)

    Mongur Hossain

    2017-10-01

    Full Text Available Recently, two-dimensional (2D charge density wave (CDW materials have attracted extensive interest due to potential applications as high performance functional nanomaterials. As other 2D materials, 2D CDW materials are layered materials with strong in-plane bonding and weak out-of-plane interactions enabling exfoliation into layers of single unit cell thickness. Although bulk CDW materials have been studied for decades, recent developments in nanoscale characterization and device fabrication have opened up new opportunities allowing applications such as oscillators, electrodes in supercapacitors, energy storage and conversion, sensors and spinelectronic devices. In this review, we first outline the synthesis techniques of 2D CDW materials including mechanical exfoliation, liquid exfoliation, chemical vapor transport (CVT, chemical vapor deposition (CVD, molecular beam epitaxy (MBE and electrochemical exfoliation. Then, the characterization procedure of the 2D CDW materials such as temperature-dependent Raman spectroscopy, temperature-dependent resistivity, magnetic susceptibility and scanning tunneling microscopy (STM are reviewed. Finally, applications of 2D CDW materials are reviewed.

  17. Material matters: Analysis of density uncertainty in 3D printing and its consequences for radiation oncology.

    Science.gov (United States)

    Craft, Daniel F; Kry, Stephen F; Balter, Peter; Salehpour, Mohammad; Woodward, Wendy; Howell, Rebecca M

    2018-04-01

    Using 3D printing to fabricate patient-specific devices such as tissue compensators, boluses, and phantoms is inexpensive and relatively simple. However, most 3D printing materials have not been well characterized, including their radiologic tissue equivalence. The purposes of this study were to (a) determine the variance in Hounsfield Units (HU) for printed objects, (b) determine if HU varies over time, and (c) calculate the clinical dose uncertainty caused by these material variations. For a sample of 10 printed blocks each of PLA, NinjaFlex, ABS, and Cheetah, the average HU and physical density were tracked at initial printing and over the course of 5 weeks, a typical timeframe for a standard course of radiotherapy. After initial printing, half the blocks were stored in open boxes, the other half in sealed bags with desiccant. Variances in HU and density over time were evaluated for the four materials. Various clinical photon and electron beams were used to evaluate potential errors in clinical depth dose as a function of assumptions made during treatment planning. The clinical depth error was defined as the distance between the correctly calculated 90% isodose line and the 90% isodose line calculated using clinically reasonable, but simplified, assumptions. The average HU measurements of individual blocks of PLA, ABS, NinjaFlex, and Cheetah varied by as much as 121, 30, 178, and 30 HU, respectively. The HU variation over 5 weeks was much smaller for all materials. The magnitude of clinical depth errors depended strongly on the material, energy, and assumptions, but some were as large as 9.0 mm. If proper quality assurance steps are taken, 3D printed objects can be used accurately and effectively in radiation therapy. It is critically important, however, that the properties of any material being used in patient care be well understood and accounted for. © 2018 American Association of Physicists in Medicine.

  18. Influence of mesh density, cortical thickness and material properties on human rib fracture prediction.

    Science.gov (United States)

    Li, Zuoping; Kindig, Matthew W; Subit, Damien; Kent, Richard W

    2010-11-01

    The purpose of this paper was to investigate the sensitivity of the structural responses and bone fractures of the ribs to mesh density, cortical thickness, and material properties so as to provide guidelines for the development of finite element (FE) thorax models used in impact biomechanics. Subject-specific FE models of the second, fourth, sixth and tenth ribs were developed to reproduce dynamic failure experiments. Sensitivity studies were then conducted to quantify the effects of variations in mesh density, cortical thickness, and material parameters on the model-predicted reaction force-displacement relationship, cortical strains, and bone fracture locations for all four ribs. Overall, it was demonstrated that rib FE models consisting of 2000-3000 trabecular hexahedral elements (weighted element length 2-3mm) and associated quadrilateral cortical shell elements with variable thickness more closely predicted the rib structural responses and bone fracture force-failure displacement relationships observed in the experiments (except the fracture locations), compared to models with constant cortical thickness. Further increases in mesh density increased computational cost but did not markedly improve model predictions. A ±30% change in the major material parameters of cortical bone lead to a -16.7 to 33.3% change in fracture displacement and -22.5 to +19.1% change in the fracture force. The results in this study suggest that human rib structural responses can be modeled in an accurate and computationally efficient way using (a) a coarse mesh of 2000-3000 solid elements, (b) cortical shells elements with variable thickness distribution and (c) a rate-dependent elastic-plastic material model. Copyright © 2010 IPEM. Published by Elsevier Ltd. All rights reserved.

  19. Positron probing of electron momentum density in GaAs-AlAs superlattices and related materials

    International Nuclear Information System (INIS)

    Arutyunov, N.Y.; Sekkal, N.

    2008-08-01

    The band structure calculations based on the method proposed by Jaros et al. (Phys. Rev. B 31, 1205 (1985)) have been performed for the defect-free GaAs-AlAs superlattice and related AlAs and GaAs single crystals; the electron-positron momentum density distributions have been computed and analyzed. The results of calculations are in good agreement with the experimental data obtained ad hoc for GaAs and AlAs bulk materials by measuring the angular correlation of the annihilation radiation (ACAR). Small (but marked) features of the electron-positron momentum density of the valence band have been revealed both for constituent materials and GaAs-AlAs superlattice. The delocalization of positron in 'perfect' defect-'free' AlAs and GaAs single crystals to be observed experimentally is borne out by the results of pseudo-potential band calculations performed on the basis of method proposed by Sekkal et al. (Superlattices and Microstructures, 33, 63 (2003)). The prediction of the possibility of a certain confinement of positron in the interstitial area of GaAs- AlAs superlattice is confirmed by the agreement between the results of calculations and relevant experimental data obtained for GaAs and AlAs single crystals. No considerable effect of the enhancement of the annihilation rate (due to electron-positron interaction) upon the electron-positron momentum density distribution both in the superlattice and its constituent bulk materials has been found. The results of ACAR measurements and calculations performed suggest that a tangible improvement of the sensitivity of existing positron annihilation techniques is necessary for studying details of the electron-positron momentum density distributions in defect-'free' superlattices to be created on the basis of the diamond-like semiconductors possessing close values of the electron momentum densities. On the contrary, the positron-sensitive vacancy-type defects of various types in the superlattice may become a source of the

  20. Ab initio density-functional calculations in materials science: from quasicrystals over microporous catalysts to spintronics.

    Science.gov (United States)

    Hafner, Jürgen

    2010-09-29

    During the last 20 years computer simulations based on a quantum-mechanical description of the interactions between electrons and atomic nuclei have developed an increasingly important impact on materials science, not only in promoting a deeper understanding of the fundamental physical phenomena, but also enabling the computer-assisted design of materials for future technologies. The backbone of atomic-scale computational materials science is density-functional theory (DFT) which allows us to cast the intractable complexity of electron-electron interactions into the form of an effective single-particle equation determined by the exchange-correlation functional. Progress in DFT-based calculations of the properties of materials and of simulations of processes in materials depends on: (1) the development of improved exchange-correlation functionals and advanced post-DFT methods and their implementation in highly efficient computer codes, (2) the development of methods allowing us to bridge the gaps in the temperature, pressure, time and length scales between the ab initio calculations and real-world experiments and (3) the extension of the functionality of these codes, permitting us to treat additional properties and new processes. In this paper we discuss the current status of techniques for performing quantum-based simulations on materials and present some illustrative examples of applications to complex quasiperiodic alloys, cluster-support interactions in microporous acid catalysts and magnetic nanostructures.

  1. Scalable Sub-micron Patterning of Organic Materials Toward High Density Soft Electronics.

    Science.gov (United States)

    Kim, Jaekyun; Kim, Myung-Gil; Kim, Jaehyun; Jo, Sangho; Kang, Jingu; Jo, Jeong-Wan; Lee, Woobin; Hwang, Chahwan; Moon, Juhyuk; Yang, Lin; Kim, Yun-Hi; Noh, Yong-Young; Jaung, Jae Yun; Kim, Yong-Hoon; Park, Sung Kyu

    2015-09-28

    The success of silicon based high density integrated circuits ignited explosive expansion of microelectronics. Although the inorganic semiconductors have shown superior carrier mobilities for conventional high speed switching devices, the emergence of unconventional applications, such as flexible electronics, highly sensitive photosensors, large area sensor array, and tailored optoelectronics, brought intensive research on next generation electronic materials. The rationally designed multifunctional soft electronic materials, organic and carbon-based semiconductors, are demonstrated with low-cost solution process, exceptional mechanical stability, and on-demand optoelectronic properties. Unfortunately, the industrial implementation of the soft electronic materials has been hindered due to lack of scalable fine-patterning methods. In this report, we demonstrated facile general route for high throughput sub-micron patterning of soft materials, using spatially selective deep-ultraviolet irradiation. For organic and carbon-based materials, the highly energetic photons (e.g. deep-ultraviolet rays) enable direct photo-conversion from conducting/semiconducting to insulating state through molecular dissociation and disordering with spatial resolution down to a sub-μm-scale. The successful demonstration of organic semiconductor circuitry promise our result proliferate industrial adoption of soft materials for next generation electronics.

  2. Joint density of states of wide-band-gap materials by electron energy loss spectroscopy

    International Nuclear Information System (INIS)

    Fan, X.D.; Peng, J.L.; Bursill, L.A.

    1998-01-01

    Kramers-Kronig analysis for parallel electron energy loss spectroscopy (PEELS) data is developed as a software package. When used with a JEOL 4000EX high-resolution transmission electron microscope (HRTEM) operating at 100 keV this allows us to obtain the dielectric function of relatively wide band gap materials with an energy resolution of approx 1.4 eV. The imaginary part of the dielectric function allows the magnitude of the band gap to be determined as well as the joint-density-of-states function. Routines for obtaining three variations of the joint-density of states function, which may be used to predict the optical and dielectric response for angle-resolved or angle-integration scattering geometries are also described. Applications are presented for diamond, aluminum nitride (AlN), quartz (SiO 2 ) and sapphire (Al 2 O 3 ). The results are compared with values of the band gap and density of states results for these materials obtained with other techniques. (authors)

  3. Electrical and mechanical properties of highly elongated high density polyethylene as cryogenic insulation materials

    International Nuclear Information System (INIS)

    Yoshino, Katsumi; Park, Dae-Hee; Miyata, Kiyomi; Yamaoka, Hitoshi; Itoh, Minoru; Ichihara, Syouji.

    1989-01-01

    Electrical and mechanical properties of highly elongated high density polyethylene were investigated in the temperature range between 4.2 K and 400 K from a viewpoint of electrical insulation at low temperature and the following properties have been clarified. (1) The electrical conductivity of samples decreases with increasing draw ratio, and also decreases at cryogenic temperature. (2) Breakdown strength of highly elongated sample is similar to that of non-elongated sample. It is nearby temperature independent below 300 K but at higher temperature it falls steeply. (3) Mechanical breakdown stress and elastic modulus of high density polyethylene increase with increasing draw ratio. Their values at liquid nitrogen temperature are much higher than that at room temperature. On the other hand, strains decreases at liquid nitrogen temperature. (4) Break of the sample develops in the direction of 45deg from the direction of stress both at room temperature and at cryogenic temperature. (5) The characteristic of mechanical breakdown at liquid nitrogen temperature can be explained by a brittleness fracture process. (6) Toughness of high density polyethylene increases with increasing draw ratio until draw ratio of 5, and it decreased, and increase at higher draw ratio. However at extremely high draw ratio of 10 it again increases. These findings clearly indicate that highly elongated high density polyethylene has good electrical and mechanical properties at cryogenic temperature and can be used as the insulating materials at cryogenic temperature. (author)

  4. Calculation of the collision stopping power of simple and composed materials for fast electrons considering the density effect with the aid of effective material parameters

    International Nuclear Information System (INIS)

    Geske, G.

    1979-01-01

    With the aid of two effective material parameters a simple expression is presented for the Bethe-Bloch-formula for the calculation of the collision stopping power of materials for fast electrons. The formula has been modified in order to include the density effect. The derivation was accomplished in connection with a formalism given by Kim. It was shown that the material dependence on the collision stopping power is entirely comprehended by the density and two effective material parameters. Thus a simple criterion is given for the comparison of materials as to their collision stopping power

  5. Novel technique of making thin target foil of high density material via rolling method

    Science.gov (United States)

    Gupta, C. K.; Rohilla, Aman; Singh, R. P.; Singh, Gurjot; Chamoli, S. K.

    2018-05-01

    The conventional rolling method fails to yield good quality thin foils of thicknesses less than 2 mg/cm2 for high density materials with Z ≥ 70 (e.g. gold, lead). A special and improved technique has been developed to obtain such low thickness good quality gold foils by rolling method. Using this technique thin gold foils of thickness in the range of 0.850-2.5 mg/cm2 were obtained in the present work. By making use of alcohol during rolling, foils of thickness 1 mg/cm2 can be obtained in shorter time with less effort.

  6. Novel iron oxyhydroxide lepidocrocite nanosheet as ultrahigh power density anode material for asymmetric supercapacitors.

    Science.gov (United States)

    Chen, Ying-Chu; Lin, Yan-Gu; Hsu, Yu-Kuei; Yen, Shi-Chern; Chen, Kuei-Hsien; Chen, Li-Chyong

    2014-09-24

    A simple one-step electroplating route is proposed for the synthesis of novel iron oxyhydroxide lepidocrocite (γ-FeOOH) nanosheet anodes with distinct layered channels, and the microstructural influence on the pseudocapacitive performance of the obtained γ-FeOOH nanosheets is investigated via in situ X-ray absorption spectroscopy (XAS) and electrochemical measurement. The in situ XAS results regarding charge storage mechanisms of electrodeposited γ-FeOOH nanosheets show that a Li(+) can reversibly insert/desert into/from the 2D channels between the [FeO6 ] octahedral subunits depending on the applied potential. This process charge compensates the Fe(2+) /Fe(3+) redox transition upon charging-discharging and thus contributes to an ideal pseudocapacitive behavior of the γ-FeOOH electrode. Electrochemical results indicate that the γ-FeOOH nanosheet shows the outstanding pseudocapacitive performance, which achieves the extraordinary power density of 9000 W kg(-1) with good rate performance. Most importantly, the asymmetric supercapacitors with excellent electrochemical performance are further realized by using 2D MnO2 and γ-FeOOH nanosheets as cathode and anode materials, respectively. The obtained device can be cycled reversibly at a maximum cell voltage of 1.85 V in a mild aqueous electrolyte, further delivering a maximum power density of 16 000 W kg(-1) at an energy density of 37.4 Wh kg(-1). © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Three-dimensional Mesoscale Simulations of Detonation Initiation in Energetic Materials with Density-based Kinetics

    Science.gov (United States)

    Jackson, Thomas; Jost, A. M.; Zhang, Ju; Sridharan, P.; Amadio, G.

    2017-06-01

    In this work we present three-dimensional mesoscale simulations of detonation initiation in energetic materials. We solve the reactive Euler equations, with the energy equation augmented by a power deposition term. The reaction rate at the mesoscale is modelled using a density-based kinetics scheme, adapted from standard Ignition and Growth models. The deposition term is based on previous results of simulations of pore collapse at the microscale, modelled at the mesoscale as hot-spots. We carry out three-dimensional mesoscale simulations of random packs of HMX crystals in a binder, and show that the transition between no-detonation and detonation depends on the number density of the hot-spots, the initial radius of the hot-spot, the post-shock pressure of an imposed shock, and the amplitude of the power deposition term. The trends of transition at lower pressure of the imposed shock for larger number density of pore observed in experiments is reproduced. Initial attempts to improve the agreement between the simulation and experiments through calibration of various parameters will also be made.

  8. A Noncontact Measurement Technique for the Density and Thermal Expansion Coefficient of Solid and Liquid Materials

    Science.gov (United States)

    Chung, Sang K.; Thiessen, David B.; Rhim, Won-Kyu

    1996-01-01

    A noncontact measurement technique for the density and the thermal expansion refractory materials in their molten as well as solid phases is presented. This technique is based on the video image processing of a levitated sample. Experiments were performed using the high-temperature electrostatic levitator (HTESL) at the Jet Propulsion Laboratory in which 2-3 mm diameter samples can be levitated, melted, and radiatively cooled in a vacuum. Due to the axisymmetric nature of the molten samples when levitated in the HTESL, a rather simple digital image analysis can be employed to accurately measure the volumetric change as a function of temperature. Density and the thermal expansion coefficient measurements were made on a pure nickel sample to test the accuracy of the technique in the temperature range of 1045-1565 C. The result for the liquid phase density can be expressed by p = 8.848 + (6.730 x 10(exp -4)) x T (degC) g/cu cm within 0.8% accuracy, and the corresponding thermal expansion coefficient can be expressed by Beta=(9.419 x 10(exp -5)) - (7.165 x 10(exp -9) x T (degC)/K within 0.2% accuracy.

  9. Using Sandia's Z Machine and Density Functional Theory Simulations to Understand Planetary Materials

    Science.gov (United States)

    Root, Seth

    2017-06-01

    The use of Z, NIF, and Omega have produced many breakthrough results in high pressure physics. One area that has greatly benefited from these facilities is the planetary sciences. The high pressure behavior of planetary materials has implications for numerous geophysical and planetary processes. The continuing discovery of exosolar super-Earths demonstrates the need for accurate equation of state data to better inform our models of their interior structures. Planetary collision processes, such as the moon-forming giant impact, require understanding planetary materials over a wide-range of pressures and temperatures. Using Z, we examined the shock compression response of some common planetary materials: MgO, Mg2SiO4, and Fe2O3 (hematite). We compare the experimental shock compression measurements with density functional theory (DFT) based quantum molecular dynamics (QMD) simulations. The combination of experiment and theory provides clearer understanding of planetary materials properties at extreme conditions. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  10. Strength and Density of Geopolymer Mortar Cured at Ambient Temperature for Use as Repair Material

    Science.gov (United States)

    Warid Wazien, A. Z.; Bakri Abdullah, Mohd Mustafa Al; Abd. Razak, Rafiza; Mohd Remy Rozainy, M. A. Z.; Faheem Mohd Tahir, Muhammad

    2016-06-01

    Geopolymers produced by synthesizing aluminosilicate source materials with an alkaline activator solution promised an excellent properties akin to the existing construction material. This study focused on the effect of various binder to sand ratio on geopolymer mortar properties. Mix design of geopolymer mortar was produced using NaOH concentration of 12 molars, ratio of fly ash/alkaline activator and ratio Na2SiO3/NaOH of 2.0 and 2.5 respectively. Samples subsequently ware cured at ambient temperature. The properties of geopolymer mortar were analysed in term of compressive strength and density at different period which are on the 3rd and 7th day of curing. Experimental results revealed that the addition of sand slightly increase the compressive strength of geopolymer. The optimum compressive strength obtained was up to 31.39 MPa on the 7th day. The density of geopolymer mortar was in the range between 2.0 g/cm3 to 2.23 g/cm3. Based on this findings, the special properties promoted by geopolymer mortar display high potential to be implemented in the field of concrete patch repair.

  11. Fundamental incorporation of the density change during melting of a confined phase change material

    Science.gov (United States)

    Hernández, Ernesto M.; Otero, José A.

    2018-02-01

    The modeling of thermal diffusion processes taking place in a phase change material presents a challenge when the dynamics of the phase transition is coupled to the mechanical properties of the container. Thermo-mechanical models have been developed by several authors, however, it will be shown that these models only explain the phase transition dynamics at low pressures when the density of each phase experiences negligible changes. In our proposal, a new energy-mass balance equation at the interface is derived and found to be a consequence of mass conservation. The density change experienced in each phase is predicted by the proposed formulation of the problem. Numerical and semi-analytical solutions to the proposed model are presented for an example on a high temperature phase change material. The solutions to the models presented by other authors are observed to be well-behaved close to the isobaric limit. However, compared to the results obtained from our model, the change in the fusion temperature, latent heat, and absolute pressure is found to be greatly overestimated by other proposals when the phase transition is studied close to the isochoric regime.

  12. Changes in electrical transport and density of states of phase change materials upon resistance drift

    International Nuclear Information System (INIS)

    Krebs, Daniel; Bachmann, Tobias; Jonnalagadda, Prasad; Dellmann, Laurent; Raoux, Simone

    2014-01-01

    Phase-change memory technology has become more mature in recent years. But some fundamental problems linked to the electrical transport properties in the amorphous phase of phase-change materials still need to be solved. The increase of resistance over time, called resistance drift, for example, poses a major challenge for the implementation of multilevel storage, which will eventually be necessary to remain competitive in terms of high storage densities. To link structural properties with electrical transport, a broader knowledge of (i) changes in the density of states (DoS) upon structural relaxation and (ii) the influence of defects on electrical transport is required. In this paper, we present temperature-dependent conductivity and photo-conductivity measurements on the archetype phase change material GeTe. It is shown that trap-limited band transport at high temperatures (above 165 K) and variable range hopping at low temperatures are the predominating transport mechanism. Based on measurements of the temperature dependence of the optical band gap, modulated photo-conductivity and photo-thermal deflection spectroscopy, a DoS model for GeTe was proposed. Using this DoS, the temperature dependence of conductivity and photo-conductivity has been simulated. Our work shows how changes in the DoS (band gap and defect distributions) will affect the electrical transport before and after temperature-accelerated drift. The decrease in conductivity upon annealing can be explained entirely by an increase of the band gap by about 12%. However, low-temperature photo-conductivity measurements revealed that a change in the defect density may also play a role

  13. Development of high current density neutral beam injector with a low energy for interaction of plasma facing materials

    International Nuclear Information System (INIS)

    Nishikawa, Masahiro; Ueda, Yoshio; Goto, Seiichi

    1991-01-01

    A high current density neutral beam injector with a low energy has been developed to investigate interactions with plasma facing materials and propagation processes of damages. The high current density neutral beam has been produced by geometrical focusing method employing a spherical electrode system. The hydrogen beam with the current density of 140 mA/cm 2 has been obtained on the focal point in the case of the acceleration energy of 8 keV. (orig.)

  14. High-throughput density functional calculations to optimize properties and interfacial chemistry of piezoelectric materials

    Science.gov (United States)

    Barr, Jordan A.; Lin, Fang-Yin; Ashton, Michael; Hennig, Richard G.; Sinnott, Susan B.

    2018-02-01

    High-throughput density functional theory calculations are conducted to search through 1572 A B O3 compounds to find a potential replacement material for lead zirconate titanate (PZT) that exhibits the same excellent piezoelectric properties as PZT and lacks both its use of the toxic element lead (Pb) and the formation of secondary alloy phases with platinum (Pt) electrodes. The first screening criterion employed a search through the Materials Project database to find A -B combinations that do not form ternary compounds with Pt. The second screening criterion aimed to eliminate potential candidates through first-principles calculations of their electronic structure, in which compounds with a band gap of 0.25 eV or higher were retained. Third, thermodynamic stability calculations were used to compare the candidates in a Pt environment to compounds already calculated to be stable within the Materials Project. Formation energies below or equal to 100 meV/atom were considered to be thermodynamically stable. The fourth screening criterion employed lattice misfit to identify those candidate perovskites that have low misfit with the Pt electrode and high misfit of potential secondary phases that can be formed when Pt alloys with the different A and B components. To aid in the final analysis, dynamic stability calculations were used to determine those perovskites that have dynamic instabilities that favor the ferroelectric distortion. Analysis of the data finds three perovskites warranting further investigation: CsNb O3 , RbNb O3 , and CsTa O3 .

  15. Calculation of radiation attenuation coefficients, effective atomic numbers and electron densities for some building materials

    International Nuclear Information System (INIS)

    Damla, N.; Baltas, H.; Celik, A.; Kiris, E.; Cevik, U.

    2008-01-01

    Some building materials, regularly used in Turkey, such as sand, cement, gas concrete (lightweight, aerated concrete), tile and brick, have been investigated in terms of mass attenuation coefficient, effective atomic, numbers (Z eff ), effective electron densities (N e ) and photon interaction cross section (σ a ) at 14 different energies from 81- to 1332-keV gamma-ray energies. The gamma rays were detected by using gamma-ray spectroscopy, a High Purity Germanium (HPGe) detector. The elemental compositions of samples were analysed using an energy dispersive X-ray fluorescence spectrometer. Mass attenuation coefficients of these samples have been compared with tabulations based upon the results of WinXcom. The theoretical mass attenuation coefficients were estimated using the mixture rule and the experimental values of investigated parameters were compared with the calculated values. The agreement of measured values of mass attenuation coefficient, effective atomic numbers, effective electron densities and photon interaction cross section with the theory has been found to be quite satisfactory. (authors)

  16. Modeling of Materials for Energy Storage: A Challenge for Density Functional Theory

    Science.gov (United States)

    Kaltak, Merzuk; Fernandez-Serra, Marivi; Hybertsen, Mark S.

    Hollandite α-MnO2 is a promising material for rechargeable batteries and is studied extensively in the community because of its interesting tunnel structure and the corresponding large capacity for lithium as well as sodium ions. However, the presence of partially reduced Mn ions due to doping with Ag or during lithiation makes hollandite a challenging system for density functional theory and the conventionally employed PBE+U method. A naive attempt to model the ternary system LixAgyMnO2 with density functionals, similar to those employed for the case y = 0 , fails and predicts a strong monoclinic distortion of the experimentally observed tetragonal unit cell for Ag2Mn8O16. Structure and binding energies are compared with experimental data and show the importance of van der Waals interactions as well as the necessity for an accurate description of the cooperative Jan-Teller effects for silver hollandite AgyMnO2. Based on these observations a ternary phase diagram is calculated allowing to predict the physical and chemical properties of LixAgyMnO2, such as stable stoichiometries, open circuit voltages, the formation of Ag metal and the structural change during lithiation. Department of Energy (DOE) under award #DE-SC0012673.

  17. Predicting critical temperatures of iron(II) spin crossover materials: Density functional theory plus U approach

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yachao, E-mail: yczhang@nano.gznc.edu.cn [Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Guizhou Normal College, Guiyang 550018, Guizhou (China)

    2014-12-07

    A first-principles study of critical temperatures (T{sub c}) of spin crossover (SCO) materials requires accurate description of the strongly correlated 3d electrons as well as much computational effort. This task is still a challenge for the widely used local density or generalized gradient approximations (LDA/GGA) and hybrid functionals. One remedy, termed density functional theory plus U (DFT+U) approach, introduces a Hubbard U term to deal with the localized electrons at marginal computational cost, while treats the delocalized electrons with LDA/GGA. Here, we employ the DFT+U approach to investigate the T{sub c} of a pair of iron(II) SCO molecular crystals (α and β phase), where identical constituent molecules are packed in different ways. We first calculate the adiabatic high spin-low spin energy splitting ΔE{sub HL} and molecular vibrational frequencies in both spin states, then obtain the temperature dependent enthalpy and entropy changes (ΔH and ΔS), and finally extract T{sub c} by exploiting the ΔH/T − T and ΔS − T relationships. The results are in agreement with experiment. Analysis of geometries and electronic structures shows that the local ligand field in the α phase is slightly weakened by the H-bondings involving the ligand atoms and the specific crystal packing style. We find that this effect is largely responsible for the difference in T{sub c} of the two phases. This study shows the applicability of the DFT+U approach for predicting T{sub c} of SCO materials, and provides a clear insight into the subtle influence of the crystal packing effects on SCO behavior.

  18. Thermo-mechanical characterisation of low density carbon foams and composite materials for the ATLAS upgrade

    CERN Document Server

    Isaac, Bonad

    As a result of the need to increase the luminosity of the Large Hadron Collider (LHC) at CERN-Geneva by 2020, the ATLAS detector requires an upgraded inner tracker. Up- grading the ATLAS experiment is essential due to higher radiation levels and high particle occupancies. The design of this improved inner tracker detector involves development of silicon sensors and their support structures. These support structures need to have well un- derstood thermal properties and be dimensionally stable in order to allow efficient cooling of the silicon and accurate track reconstruction. The work presented in this thesis is an in- vestigation which aims to qualitatively characterise the thermal and mechanical properties of the materials involved in the design of the inner tracker of the ATLAS upgrade. These materials are silicon carbide foam (SiC foam), low density carbon foams such as PocoFoam and Allcomp foam, Thermal Pyrolytic Graphite (TPG), carbon/carbon and Carbon Fibre Re- inforced Polymer (CFRP). The work involve...

  19. Solid ionic: these unusual materials applications in high-energy-density

    International Nuclear Information System (INIS)

    Shriver, D.F.; Farrington, G.C.

    1985-01-01

    The idea that ions can diffuse as rapidly in a solid as in an aqueous salt solution may seem strange to many chemists. But a variety of solids with high ionic conductivities are known. Compounds have been discovered that conduct anions (including F - and O 2- ) and cations (including monovalent, divalent, and trivalent cations). These substances range from hard, refractory materials, such as sodium β-alumina, through softer compounds, such as silver iodide (AgI) to the very soft polymer electrolytes. They include compounds that are stoichiometric (AgI), nonstoichiometric (sodium β-alumina), or doped (calcia-stabilized zirconia). A variety of names have been applied to these materials: among them, solid electrolytes, superionic conductors, and fast-ion conductors. Fast-ion transport in solids is a lively area of study in solid-state chemistry and physics. High-conductivity solid electrolytes have revolutionized conventional concepts of ionic compounds, and their potential uses range from high-energy-density battery and fuel-cell electrolytes to chemical sensors and from lasers to phosphors. Devices using solid electrolytes are already available commercially-oxygen detectors for automotive pollution-control systems employ solid O 2- electrolytes, and solid-state batteries using solid electrolytes are employed in heart pacemakers

  20. Energy density enhancement of chemical heat storage material for magnesium oxide/water chemical heat pump

    International Nuclear Information System (INIS)

    Myagmarjav, Odtsetseg; Zamengo, Massimiliano; Ryu, Junichi; Kato, Yukitaka

    2015-01-01

    A novel candidate chemical heat storage material having higher reaction performance and higher thermal conductivity used for magnesium oxide/water chemical heat pump was developed in this study. The material, called EML, was obtained by mixing pure Mg(OH)_2 with expanded graphite (EG) and lithium bromide (LiBr), which offer higher thermal conductivity and reactivity, respectively. With the aim to achieve a high energy density, the EML composite was compressed into figure of the EML tablet (ϕ7.1 mm × thickness 3.5 mm). The compression force did not degrade the reaction conversion, and furthermore it enabled us to achieve best heat storage and output performances. The EML tablet could store heat of 815.4 MJ m_t_a_b"−"3 at 300 °C within 120 min, which corresponded to almost 4.4 times higher the heat output of the EML composite, and therefore, the EML tablet is the solution which releases more heat in a shorter time. A relatively larger volumetric gross heat output was also recorded for the EML tablet, which was greater than one attained for the EML composite at certain temperatures. As a consequence, it is expected that the EML tablet could respond more quickly to sudden demand of heat from users. It was concluded that the EML tablet demonstrated superior performances. - Highlights: • A new chemical heat storage material, donated as EML, was developed. • EML composite made from pure Mg(OH)_2, expanded graphite and lithium bromide. • EML tablet was demonstrated by compressing the EML composite. • Compression force did not degrade the conversion in dehydration and hydration. • EML tablet demonstrated superior heat storage and output performances.

  1. Effect of expanded graphite on the phase change materials of high density polyethylene/wax blends

    Energy Technology Data Exchange (ETDEWEB)

    AlMaadeed, M.A., E-mail: m.alali@qu.edu.qa [Center for Advanced Materials, Qatar University, 2713 Doha (Qatar); Labidi, Sami [Center for Advanced Materials, Qatar University, 2713 Doha (Qatar); Krupa, Igor [QAPCO Polymer Chair, Center for Advanced Materials, Qatar University, P.O. Box 2713, Doha (Qatar); Karkri, Mustapha [Université Paris-Est CERTES, 61 avenue du Général de Gaulle, 94010 Créteil (France)

    2015-01-20

    Highlights: • Expanded graphite (EG) and low melting point (42.3 °C) wax were added to HDPE to form phase change material. • EG was well dispersed in the composites and did not affect the melting or crystallization of the HDPE matrix. • EG increased the thermal stability of the composites by reducing chain mobility and inhibiting degradation. • The addition of a relatively small quantity of EG enhances the heat conduction in the composite. • HDPE/40% RT42 that contained up to 15% EG demonstrated excellent mechanical and thermal properties and can be used as PCM. - Abstract: Phase change materials fabricated from high density polyethylene (HDPE) blended with 40 or 50 wt% commercial wax (melting point of 43.08 °C) and up to 15 wt% expanded graphite (EG) were studied. Techniques including scanning electron microscope (SEM), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), and an experimental device to measure diffusivity and conductivity (DICO) were used to determine the microstructural, mechanical and thermal properties of the composites. The composites possessed good mechanical properties. Additionally, no leaching was observed during material processing or characterization. Although the Young’s modulus increased with the addition of EG, no significant changes in tensile strength were detected. The maximum Young’s modulus achieved was 650 MPa for the HDPE/40% wax composite with 15 wt% EG. The EG was well dispersed within the composites and did not affect the melting or crystallization of the HDPE matrix. The incorporation of EG increased the thermal stability of the composites by reducing chain mobility and inhibiting degradation. The intensification of thermal conductivity occurred with increasing fractions of EG, which was attributed to the high thermal conductivity of graphite. The maximum quantity of heat stored by latent heat was found for the HDPE/40% wax composite with EG. The addition of a relatively small quantity

  2. Effect of expanded graphite on the phase change materials of high density polyethylene/wax blends

    International Nuclear Information System (INIS)

    AlMaadeed, M.A.; Labidi, Sami; Krupa, Igor; Karkri, Mustapha

    2015-01-01

    Highlights: • Expanded graphite (EG) and low melting point (42.3 °C) wax were added to HDPE to form phase change material. • EG was well dispersed in the composites and did not affect the melting or crystallization of the HDPE matrix. • EG increased the thermal stability of the composites by reducing chain mobility and inhibiting degradation. • The addition of a relatively small quantity of EG enhances the heat conduction in the composite. • HDPE/40% RT42 that contained up to 15% EG demonstrated excellent mechanical and thermal properties and can be used as PCM. - Abstract: Phase change materials fabricated from high density polyethylene (HDPE) blended with 40 or 50 wt% commercial wax (melting point of 43.08 °C) and up to 15 wt% expanded graphite (EG) were studied. Techniques including scanning electron microscope (SEM), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), and an experimental device to measure diffusivity and conductivity (DICO) were used to determine the microstructural, mechanical and thermal properties of the composites. The composites possessed good mechanical properties. Additionally, no leaching was observed during material processing or characterization. Although the Young’s modulus increased with the addition of EG, no significant changes in tensile strength were detected. The maximum Young’s modulus achieved was 650 MPa for the HDPE/40% wax composite with 15 wt% EG. The EG was well dispersed within the composites and did not affect the melting or crystallization of the HDPE matrix. The incorporation of EG increased the thermal stability of the composites by reducing chain mobility and inhibiting degradation. The intensification of thermal conductivity occurred with increasing fractions of EG, which was attributed to the high thermal conductivity of graphite. The maximum quantity of heat stored by latent heat was found for the HDPE/40% wax composite with EG. The addition of a relatively small quantity

  3. 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)

  4. 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)

  5. A Comparative Density Functional Theory and Density Functional Tight Binding Study of Phases of Nitrogen Including a High Energy Density Material N8

    Directory of Open Access Journals (Sweden)

    Nicholas Capel

    2015-11-01

    Full Text Available We present a comparative dispersion-corrected Density Functional Theory (DFT and Density Functional Tight Binding (DFTB-D study of several phases of nitrogen, including the well-known alpha, beta, and gamma phases as well as recently discovered highly energetic phases: covalently bound cubic gauche (cg nitrogen and molecular (vdW-bound N8 crystals. Among several tested parametrizations of N–N interactions for DFTB, we identify only one that is suitable for modeling of all these phases. This work therefore establishes the applicability of DFTB-D to studies of phases, including highly metastable phases, of nitrogen, which will be of great use for modelling of dynamics of reactions involving these phases, which may not be practical with DFT due to large required space and time scales. We also derive a dispersion-corrected DFT (DFT-D setup (atom-centered basis parameters and Grimme dispersion parameters tuned for accurate description simultaneously of several nitrogen allotropes including covalently and vdW-bound crystals and including high-energy phases.

  6. Method for making a low density polyethylene waste form for safe disposal of low level radioactive material

    Science.gov (United States)

    Colombo, P.; Kalb, P.D.

    1984-06-05

    In the method of the invention low density polyethylene pellets are mixed in a predetermined ratio with radioactive particulate material, then the mixture is fed through a screw-type extruder that melts the low density polyethylene under a predetermined pressure and temperature to form a homogeneous matrix that is extruded and separated into solid monolithic waste forms. The solid waste forms are adapted to be safely handled, stored for a short time, and safely disposed of in approved depositories.

  7. Shape stabilised phase change materials (SSPCMs): High density polyethylene and hydrocarbon waxes

    Energy Technology Data Exchange (ETDEWEB)

    Mu, Mulan, E-mail: mmu01@qub.ac.uk, E-mail: m.basheer@qub.ac.uk; Basheer, P. A. M., E-mail: mmu01@qub.ac.uk, E-mail: m.basheer@qub.ac.uk [School of Planning, Architecture and Civil Engineering, Queen' s University Belfast, BT9 5AG (United Kingdom); Bai, Yun, E-mail: yun.bai@ucl.ac.uk [Department of Civil, Environmental and Geomatic Engineering, University College London, WC1E 6BT (United Kingdom); McNally, Tony, E-mail: t.mcnally@warwick.ac.uk [WMG, University of Warwick, CV4 7AL (United Kingdom)

    2014-05-15

    Shape stabilised phase change materials (SSPCMs) based on high density polyethylene (HDPE) with high (HPW, T{sub m}=56-58 °C) and low (L-PW, T{sub m}=18-23 °C) melting point waxes were prepared by melt-mixing in a twin-screw extruder and their potential in latent heat thermal energy storage (LHTES) applications for housing assessed. The structure and morphology of these blends were investigated by scanning electron microscopy (SEM). Both H-PW and L-PW were uniformly distributed throughout the HDPE matrix. The melting point and latent heat of the SSPCMs were determined by differential scanning calorimetry (DSC). The results demonstrated that both H-PW and L-PW have a plasticisation effect on the HDPE matrix. The tensile and flexural properties of the samples were measured at room temperature (RT, 20±2 °C) and 70 °C, respectively. All mechanical properties of HDPE/H-PW and HDPE/L-PW blends decreased from RT to 70 °C. In all instances at RT, modulus and stress, irrespective of the mode of deformation was greater for the HDPE/H-PW blends. However, at 70 °C, there was no significant difference in mechanical properties between the HDPE/H-PW and HDPE/L-PW blends.

  8. Advanced Materials Enabled by Atomic Layer Deposition for High Energy Density Rechargeable Batteries

    Science.gov (United States)

    Chen, Lin

    In order to meet the ever increasing energy needs of society and realize the US Department of Energy (DOE)'s target for energy storage, acquiring a fundamental understanding of the chemical mechanisms in batteries for direct guidance and searching novel advanced materials with high energy density are critical. To realize rechargeable batteries with superior energy density, great cathodes and excellent anodes are required. LiMn2O4 (LMO) has been considered as a simpler surrogate for high energy cathode materials like NMC. Previous studies demonstrated that Al2O3 coatings prepared by atomic layer deposition (ALD) improved the capacity of LMO cathodes. This improvement was attributed to a reduction in surface area and diminished Mn dissolution. However, here we propose a different mechanism for ALD Al 2O3 on LMO based on in-situ and ex-situ investigations coupled with density functional theory calculations. We discovered that Al2O 3 not only coats the LMO, but also dopes the LMO surface with Al leading to changes in the Mn oxidation state. Different thicknesses of Al2O 3 were deposited on nonstoichiometric LiMn2O4 for electrochemical measurements. The LMO treated with one cycle of ALD Al2O3 (1xAl 2O3 LMO) to produce a sub-monolayer coating yielded a remarkable initial capacity, 16.4% higher than its uncoated LMO counterpart in full cells. The stability of 1xAl2O3 LMO is also much better as a result of stabilized defects with Al species. Furthermore, 4xAl 2O3 LMO demonstrates remarkable capacity retention. Stoichiometric LiMn2O4 was also evaluated with similar improved performance achieved. All superior results, accomplished by great stability and reduced Mn dissolution, is thanks to the synergetic effects of Al-doping and ALD Al2O 3 coating. Turning our attention to the anode, we again utilized aluminum oxide ALD to form conformal films on lithium. We elaborately designed and studied, for the first time, the growth mechanism during Al2O3 ALD on lithium metal in

  9. Application of gamma radiation backscattering in determining density and Zsub(eff) of scattering material Monte Carlo optimization of configuration

    International Nuclear Information System (INIS)

    Cechak, T.

    1982-01-01

    Applying Gardner's method of double evaluation one detector should be positioned such that its response should be independent of the material density and the second detector should be positioned so as to maximize changes in response due to density changes. The experimental scanning for optimal energy is extremely time demanding. A program was written based on the Monte Carlo method which solves the problem of error magnitude in case the computation of gamma radiation backscattering neglects multiply scattered photons, the problem of how this error depends on the atomic number of the scattering material as well as the problem of whether the representation of individual scatterings in the spectrum of backscattered photons depends on the positioning of the detector. 42 detectors, 8 types of material and 10 different density values were considered. The computed dependences are given graphically. (M.D.)

  10. Examples of density, orientation and shape optimal design for stiffness and/or strength with orthotropic materials

    DEFF Research Database (Denmark)

    Pedersen, Pauli

    2004-01-01

    The balance between stiffness and strength design is considered in the present paper. For materials with different levels of orthotropy (including isotropy), we optimize the density distribution as well as the orientational distribution for a short cantilever problem, and discuss the tendencies...... in design and response (energy distributions and stress directions). For a hole in a biaxial stress field, the shape design of the boundary hole is also incorporated. The resulting tapered density distributions may be difficult to manufacture, for example, in micro-mechanics production. For such problems...... a penalization approach to obtain "black and white" designs, i.e. uniform material or holes, is often applied in optimal design. A specific example is studied to show the effect of the penalization, but is restricted here to an isotropic material. When the total amount of material is not specified, a conflict...

  11. Development of a poly(dimethylacrylamide) based matrix material for solid phase high density peptide array synthesis employing a laser based material transfer

    International Nuclear Information System (INIS)

    Ridder, Barbara; Foertsch, Tobias C.; Welle, Alexander; Mattes, Daniela S.; Bojnicic-Kninski, Clemens M. von; Loeffler, Felix F.; Nesterov-Mueller, Alexander; Meier, Michael A.R.; Breitling, Frank

    2016-01-01

    Highlights: • New matrix material for peptide array synthesis from a ‘solid solvent’. • Resolution was increased with possible spot densities of up to 20.000 spots per cm"2. • The coupling depth and the effectiveness of washing steps analyzed by ToF-SIMS. • Adaptations and custom changes of the matrix material are possible. - Abstract: Poly(dimethylacrylamide) (PDMA) based matrix materials were developed for laser-based in situ solid phase peptide synthesis to produce high density arrays. In this specific array synthesis approach, amino acid derivatives are embedded into a matrix material, serving as a “solid” solvent material at room temperature. Then, a laser pulse transfers this mixture to the target position on a synthesis slide, where the peptide array is synthesized. Upon heating above the glass transition temperature of the matrix material, it softens, allowing diffusion of the amino acid derivatives to the synthesis surface and serving as a solvent for peptide bond formation. Here, we synthesized PDMA six-arm star polymers, offering the desired matrix material properties, using atom transfer radical polymerization. With the synthesized polymers as matrix material, we structured and synthesized arrays with combinatorial laser transfer. With densities of up to 20,000 peptide spots per cm"2, the resolution could be increased compared to the commercially available standard matrix material. Time-of-Flight Secondary Ion Mass Spectrometry experiments revealed the penetration behavior of an amino acid derivative into the prepared acceptor synthesis surface and the effectiveness of the washing protocols.

  12. Development of a poly(dimethylacrylamide) based matrix material for solid phase high density peptide array synthesis employing a laser based material transfer

    Energy Technology Data Exchange (ETDEWEB)

    Ridder, Barbara [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Foertsch, Tobias C. [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Welle, Alexander [Karlsruhe Nano Micro Facility (KNMF), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Mattes, Daniela S. [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Bojnicic-Kninski, Clemens M. von; Loeffler, Felix F.; Nesterov-Mueller, Alexander [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Meier, Michael A.R., E-mail: m.a.r.meier@kit.edu [Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Breitling, Frank, E-mail: frank.breitling@kit.edu [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)

    2016-12-15

    Highlights: • New matrix material for peptide array synthesis from a ‘solid solvent’. • Resolution was increased with possible spot densities of up to 20.000 spots per cm{sup 2}. • The coupling depth and the effectiveness of washing steps analyzed by ToF-SIMS. • Adaptations and custom changes of the matrix material are possible. - Abstract: Poly(dimethylacrylamide) (PDMA) based matrix materials were developed for laser-based in situ solid phase peptide synthesis to produce high density arrays. In this specific array synthesis approach, amino acid derivatives are embedded into a matrix material, serving as a “solid” solvent material at room temperature. Then, a laser pulse transfers this mixture to the target position on a synthesis slide, where the peptide array is synthesized. Upon heating above the glass transition temperature of the matrix material, it softens, allowing diffusion of the amino acid derivatives to the synthesis surface and serving as a solvent for peptide bond formation. Here, we synthesized PDMA six-arm star polymers, offering the desired matrix material properties, using atom transfer radical polymerization. With the synthesized polymers as matrix material, we structured and synthesized arrays with combinatorial laser transfer. With densities of up to 20,000 peptide spots per cm{sup 2}, the resolution could be increased compared to the commercially available standard matrix material. Time-of-Flight Secondary Ion Mass Spectrometry experiments revealed the penetration behavior of an amino acid derivative into the prepared acceptor synthesis surface and the effectiveness of the washing protocols.

  13. Application of High-Density Electropulsing to Improve the Performance of Metallic Materials: Mechanisms, Microstructure and Properties

    Directory of Open Access Journals (Sweden)

    Yinying Sheng

    2018-01-01

    Full Text Available The technology of high-density electropulsing has been applied to increase the performance of metallic materials since the 1990s and has shown significant advantages over traditional heat treatment in many aspects. However, the microstructure changes in electropulsing treatment (EPT metals and alloys have not been fully explored, and the effects vary significantly on different material. When high-density electrical pulses are applied to metals and alloys, the input of electric energy and thermal energy generally leads to structural rearrangements, such as dynamic recrystallization, dislocation movements and grain refinement. The enhanced mechanical properties of the metals and alloys after high-density electropulsing treatment are reflected by the significant improvement of elongation. As a result, this technology holds great promise in improving the deformation limit and repairing cracks and defects in the plastic processing of metals. This review summarizes the effect of high-density electropulsing treatment on microstructural properties and, thus, the enhancement in mechanical strength, hardness and corrosion performance of metallic materials. It is noteworthy that the change of some properties can be related to the structure state before EPT (quenched, annealed, deformed or others. The mechanisms for the microstructural evolution, grain refinement and formation of oriented microstructures of different metals and alloys are presented. Future research trends of high-density electrical pulse technology for specific metals and alloys are highlighted.

  14. Application of High-Density Electropulsing to Improve the Performance of Metallic Materials: Mechanisms, Microstructure and Properties.

    Science.gov (United States)

    Sheng, Yinying; Hua, Youlu; Wang, Xiaojian; Zhao, Xueyang; Chen, Lianxi; Zhou, Hanyu; Wang, James; Berndt, Christopher C; Li, Wei

    2018-01-24

    The technology of high-density electropulsing has been applied to increase the performance of metallic materials since the 1990s and has shown significant advantages over traditional heat treatment in many aspects. However, the microstructure changes in electropulsing treatment (EPT) metals and alloys have not been fully explored, and the effects vary significantly on different material. When high-density electrical pulses are applied to metals and alloys, the input of electric energy and thermal energy generally leads to structural rearrangements, such as dynamic recrystallization, dislocation movements and grain refinement. The enhanced mechanical properties of the metals and alloys after high-density electropulsing treatment are reflected by the significant improvement of elongation. As a result, this technology holds great promise in improving the deformation limit and repairing cracks and defects in the plastic processing of metals. This review summarizes the effect of high-density electropulsing treatment on microstructural properties and, thus, the enhancement in mechanical strength, hardness and corrosion performance of metallic materials. It is noteworthy that the change of some properties can be related to the structure state before EPT (quenched, annealed, deformed or others). The mechanisms for the microstructural evolution, grain refinement and formation of oriented microstructures of different metals and alloys are presented. Future research trends of high-density electrical pulse technology for specific metals and alloys are highlighted.

  15. Application of High-Density Electropulsing to Improve the Performance of Metallic Materials: Mechanisms, Microstructure and Properties

    Science.gov (United States)

    Sheng, Yinying; Hua, Youlu; Zhao, Xueyang; Chen, Lianxi; Zhou, Hanyu; Wang, James; Berndt, Christopher C.; Li, Wei

    2018-01-01

    The technology of high-density electropulsing has been applied to increase the performance of metallic materials since the 1990s and has shown significant advantages over traditional heat treatment in many aspects. However, the microstructure changes in electropulsing treatment (EPT) metals and alloys have not been fully explored, and the effects vary significantly on different material. When high-density electrical pulses are applied to metals and alloys, the input of electric energy and thermal energy generally leads to structural rearrangements, such as dynamic recrystallization, dislocation movements and grain refinement. The enhanced mechanical properties of the metals and alloys after high-density electropulsing treatment are reflected by the significant improvement of elongation. As a result, this technology holds great promise in improving the deformation limit and repairing cracks and defects in the plastic processing of metals. This review summarizes the effect of high-density electropulsing treatment on microstructural properties and, thus, the enhancement in mechanical strength, hardness and corrosion performance of metallic materials. It is noteworthy that the change of some properties can be related to the structure state before EPT (quenched, annealed, deformed or others). The mechanisms for the microstructural evolution, grain refinement and formation of oriented microstructures of different metals and alloys are presented. Future research trends of high-density electrical pulse technology for specific metals and alloys are highlighted. PMID:29364844

  16. A study of influence of material properties on magnetic flux density induced in magneto rheological damper through finite element analysis

    Directory of Open Access Journals (Sweden)

    Gurubasavaraju T. M.

    2018-01-01

    Full Text Available Magnetorheological fluids are smart materials, which are responsive to the external stimulus and changes their rheological properties. The damper performance (damping force is dependent on the magnetic flux density induced at the annular gap. Magnetic flux density developed at fluid flow gap of MR damper due to external applied current is also dependent on materials properties of components of MR damper (such as piston head, outer cylinder and piston rod. The present paper discus about the influence of different materials selected for components of the MR damper on magnetic effect using magnetostatic analysis. Different materials such as magnetic and low carbon steels are considered for piston head of the MR damper and magnetic flux density induced at fluid flow gap (filled with MR fluid is computed for different DC current applied to the electromagnetic coil. Developed magnetic flux is used for calculating the damper force using analytical method for each case. The low carbon steel has higher magnetic permeability hence maximum magnetic flux could pass through the piston head, which leads to higher value of magnetic effect induction at the annular gap. From the analysis results it is observed that the magnetic steel and low carbon steel piston head provided maximum magnetic flux density. Eventually the higher damping force can be observed for same case.

  17. High Energy Density Li-ion Cells for EV’s Based on Novel, High Voltage Cathode Material Systems

    Energy Technology Data Exchange (ETDEWEB)

    Kepler, Keith [Farasis Energy Inc; Slater, Michael [Farasis Energy Inc

    2018-03-14

    This Li-ion cell technology development project had three objectives: to develop advanced electrode materials and cell components to enable stable high-voltage operation; to design and demonstrate a Li-ion cell using these materials that meets the PHEV40 performance targets; and to design and demonstrate a Li-ion cell using these materials that meets the EV performance targets. The major challenge to creating stable high energy cells with long cycle life is system integration. Although materials that can give high energy cells are known, stabilizing them towards long-term cycling in the presence of other novel cell components is a major challenge. The major technical barriers addressed by this work include low cathode specific energy, poor electrolyte stability during high voltage operation, and insufficient capacity retention during deep discharge for Si-containing anodes. Through the course of this project, Farasis was able to improve capacity retention of NCM materials for 4.4+ V operation, through both surface treatment and bulk-doping approaches. Other material advances include increased rate capability and of HE-NCM materials through novel synthesis approach, doubling the relative capacity at 1C over materials synthesized using standard methods. Silicon active materials proved challenging throughout the project and ultimately were the limiting factor in the energy density vs. cycle life trade off. By avoiding silicon anodes for the lower energy PHEV design, we manufactured cells with intermediate energy density and long cycle life under high voltage operation for PHEV applications. Cells with high energy density for EV applications were manufactured targeting a 300 Wh/kg design and were able to achieve > 200 cycles.

  18. The thermal and mechanical properties of a low-density glass-fiber-reinforced elastomeric ablation material

    Science.gov (United States)

    Engelke, W. T.; Robertson, R. W.; Bush, A. L.; Pears, C. D.

    1974-01-01

    An evaluation of the thermal and mechanical properties was performed on a molded low-density elastomeric ablation material designated as Material B. Both the virgin and charred states were examined to provide meaningful inputs to the design of a thermal protection system. Chars representative of the flight chars formed during ablation were prepared in a laboratory furnace from 600 K to 1700 K and properties of effective thermal conductivity, heat capacity, porosity and permeability were determined on the furnace chars formed at various temperature levels within the range. This provided a boxing of the data which will enable the prediction of the transient response of the material during flight ablation.

  19. Tilted Magnetic Levitation Enables Measurement of the Complete Range of Densities of Materials with Low Magnetic Permeability.

    Science.gov (United States)

    Nemiroski, Alex; Soh, Siowling; Kwok, Sen Wai; Yu, Hai-Dong; Whitesides, George M

    2016-02-03

    Magnetic levitation (MagLev) of diamagnetic or weakly paramagnetic materials suspended in a paramagnetic solution in a magnetic field gradient provides a simple method to measure the density of small samples of solids or liquids. One major limitation of this method, thus far, has been an inability to measure or manipulate materials outside of a narrow range of densities (0.8 g/cm(3) MagLev"-to increase the range of densities that can be levitated magnetically. Tilting the MagLev device relative to the gravitational vector enables the magnetic force to be decreased (relative to the magnetic force) along the axis of measurement. This approach enables many practical measurements over the entire range of densities observed in matter at ambient conditions-from air bubbles (ρ ≈ 0) to osmium and iridium (ρ ≈ 23 g/cm(3)). The ability to levitate, simultaneously, objects with a broad range of different densities provides an operationally simple method that may find application to forensic science (e.g., for identifying the composition of miscellaneous objects or powders), industrial manufacturing (e.g., for quality control of parts), or resource-limited settings (e.g., for identifying and separating small particles of metals and alloys).

  20. Computational Design of Non-natural Sugar Alcohols to Increase Thermal Storage Density: Beyond Existing Organic Phase Change Materials.

    Science.gov (United States)

    Inagaki, Taichi; Ishida, Toyokazu

    2016-09-14

    Thermal storage, a technology that enables us to control thermal energy, makes it possible to reuse a huge amount of waste heat, and materials with the ability to treat larger thermal energy are in high demand for energy-saving societies. Sugar alcohols are now one promising candidate for phase change materials (PCMs) because of their large thermal storage density. In this study, we computationally design experimentally unknown non-natural sugar alcohols and predict their thermal storage density as a basic step toward the development of new high performance PCMs. The non-natural sugar alcohol molecules are constructed in silico in accordance with the previously suggested molecular design guidelines: linear elongation of a carbon backbone, separated distribution of OH groups, and even numbers of carbon atoms. Their crystal structures are then predicted using the random search method and first-principles calculations. Our molecular simulation results clearly demonstrate that the non-natural sugar alcohols have potential ability to have thermal storage density up to ∼450-500 kJ/kg, which is significantly larger than the maximum thermal storage density of the present known organic PCMs (∼350 kJ/kg). This computational study suggests that, even in the case of H-bonded molecular crystals where the electrostatic energy contributes mainly to thermal storage density, the molecular distortion and van der Waals energies are also important factors to increase thermal storage density. In addition, the comparison between the three eight-carbon non-natural sugar alcohol isomers indicates that the selection of preferable isomers is also essential for large thermal storage density.

  1. Nanoscale measurement of Nernst effect in two-dimensional charge density wave material 1T-TaS2

    Science.gov (United States)

    Wu, Stephen M.; Luican-Mayer, Adina; Bhattacharya, Anand

    2017-11-01

    Advances in nanoscale material characterization on two-dimensional van der Waals layered materials primarily involve their optical and electronic properties. The thermal properties of these materials are harder to access due to the difficulty of thermal measurements at the nanoscale. In this work, we create a nanoscale magnetothermal device platform to access the basic out-of-plane magnetothermal transport properties of ultrathin van der Waals materials. Specifically, the Nernst effect in the charge density wave transition metal dichalcogenide 1T-TaS2 is examined on nano-thin flakes in a patterned device structure. It is revealed that near the commensurate charge density wave (CCDW) to nearly commensurate charge density wave (NCCDW) phase transition, the polarity of the Nernst effect changes. Since the Nernst effect is especially sensitive to changes in the Fermi surface, this suggests that large changes are occurring in the out-of-plane electronic structure of 1T-TaS2, which are otherwise unresolved in just in-plane electronic transport measurements. This may signal a coherent evolution of out-of-plane stacking in the CCDW → NCCDW transition.

  2. High-density 3D graphene-based monolith and related materials, methods, and devices

    Energy Technology Data Exchange (ETDEWEB)

    Worsley, Marcus A.; Baumann, Theodore F.; Biener, Juergen; Charnvanichborikarn, Supakit; Kucheyev, Sergei; Montalvo, Elizabeth; Shin, Swanee; Tylski, Elijah

    2017-03-21

    A composition comprising at least one high-density graphene-based monolith, said monolith comprising a three-dimensional structure of graphene sheets crosslinked by covalent carbon bonds and having a density of at least 0.1 g/cm.sup.3. Also provided is a method comprising: preparing a reaction mixture comprising a suspension and at least one catalyst, said suspension selected from a graphene oxide (GO) suspension and a carbon nanotube suspension; curing the reaction mixture to produce a wet gel; drying the wet gel to produce a dry gel, said drying step is substantially free of supercritical drying and freeze drying; and pyrolyzing the dry gel to produce a high-density graphene-based monolith. Exceptional combinations of properties are achieved including high conductive and mechanical properties.

  3. Density functional theory and pseudopotentials: A panacea for calculating properties of materials

    International Nuclear Information System (INIS)

    Cohen, M.L.; Lawrence Berkeley Lab., CA

    1995-09-01

    Although the microscopic view of solids is still evolving, for a large class of materials one can construct a useful first-principles or ''Standard Model'' of solids which is sufficiently robust to explain and predict many physical properties. Both electronic and structural properties can be studied and the results of the first-principles calculations can be used to predict new materials, formulate empirical theories and simple formulae to compute material parameters, and explain trends. A discussion of the microscopic approach, applications, and empirical theories is given here, and some recent results on nanotubes, hard materials, and fullerenes are presented

  4. Density model for medium range order in amorphous materials: application to small angle scattering

    International Nuclear Information System (INIS)

    Boucher, B.; Tournarie, M.; Chieux, P.; Convert, P.

    1983-06-01

    We consider a family of randomly spaced parallel planes, each plane dressed with a density function, h(x), where x is the distance from the plane. An expression for the volume scattering power from a system of N such families with random orientations in space is derived from Fourier transform of h(x), which can subsequently be determined from experimental observations. This density model is used to interpret the small angle neutron scattering (SANS) results for the amorphous alloy TbCusub(3.54)

  5. Nonequilibrium response of an electron-mediated charge density wave ordered material to a large dc electric field

    Science.gov (United States)

    Matveev, O. P.; Shvaika, A. M.; Devereaux, T. P.; Freericks, J. K.

    2016-01-01

    Using the Kadanoff-Baym-Keldysh formalism, we employ nonequilibrium dynamical mean-field theory to exactly solve for the nonlinear response of an electron-mediated charge-density-wave-ordered material. We examine both the dc current and the order parameter of the conduction electrons as the ordered system is driven by the electric field. Although the formalism we develop applies to all models, for concreteness, we examine the charge-density-wave phase of the Falicov-Kimball model, which displays a number of anomalous behaviors including the appearance of subgap density of states as the temperature increases. These subgap states should have a significant impact on transport properties, particularly the nonlinear response of the system to a large dc electric field.

  6. Dual-energy X-ray absorptiometry for the simultaneous determination of Density and Moisture Content in Porous Structural Materials

    DEFF Research Database (Denmark)

    Hansen, Kurt Kielsgaard; Jensen, Signe Kamp; Gerward, Leif

    1999-01-01

    The paper describes the dual-energy x-ray equipment, which consists of a x-ray source, filters and a detector. The x-ray beam can be moved automatically in two dimensions relative to a fixed specimen. The purpose of the equipment is to measure simultaneously the density and moisture content...... in porous materials relevant for the building industry. The theory of dual-energy x-ray absorptiometry (DEXA) is presented. DEXA results on two combinations of aluminium and acrylic plastic are compared with corresponding values calculated from the geometry of the experimental setup. The results from the x......-ray measurements show good agreement with results from the two standard materials which imitate water in a porous material. On this background the dual-energy x-ray absorptiometry measurement principle can be used on porous structural materials....

  7. Effective atomic numbers and effective electron densities for trommel sieve waste and some commonly used building materials

    International Nuclear Information System (INIS)

    Kurudirek, M.; Canimkurbey, B.; Coban, M.; Ayguen, M.; Erzeneoglu, S. Z.

    2010-01-01

    Trommel sieve waste and some commonly used building materials (Portland cement, lime and pointing) have been investigated in terms of effective atomic numbers (Z e ff) and effective electron densities (N e ) by using X- and γ- rays at 22.1, 25 and 88 keV photon energies. A high resolution Si(Li) detector was employed to detect X- and/or γ- radiation coming through in a narrow beam good geometry set-up. Chemical compositions of the materials used in the present study were determined using a wave length dispersive X-ray fluorescence spectrometer (WDXRFS). The variations in photon interaction parameters were discussed regarding the photon energy and chemical composition. The experimental values of effective atomic numbers and effective electron densities were compared with the ones obtained from theory.

  8. Evaluation of the Anisotropic Radiative Conductivity of a Low-Density Carbon Fiber Material from Realistic Microscale Imaging

    Science.gov (United States)

    Nouri, Nima; Panerai, Francesco; Tagavi, Kaveh A.; Mansour, Nagi N.; Martin, Alexandre

    2015-01-01

    The radiative heat transfer inside a low-density carbon fiber insulator is analyzed using a three-dimensional direct simulation model. A robust procedure is presented for the numerical calculation of the geometric configuration factor to compute the radiative energy exchange processes among the small discretized surface areas of the fibrous material. The methodology is applied to a polygonal mesh of a fibrous insulator obtained from three-dimensional microscale imaging of the real material. The anisotropic values of the radiative conductivity are calculated for that geometry. The results yield both directional and thermal dependence of the radiative conductivity.

  9. Density of loose-fill insulation material exposed to cyclic humidity conditions

    DEFF Research Database (Denmark)

    Rasmussen, Torben Valdbjørn

    the granulated loose-fill material is exposed to a climate that is characterised as cyclic humidity conditions (a constant temperature and a relative humidity alternating between two predetermined constant relative humidity levels). A better understanding of the behaviour of granulated loose-fill material...

  10. Nanostructured Electrode Materials Derived from Metal-Organic Framework Xerogels for High-Energy-Density Asymmetric Supercapacitor.

    Science.gov (United States)

    Mahmood, Asif; Zou, Ruqiang; Wang, Qingfei; Xia, Wei; Tabassum, Hassina; Qiu, Bin; Zhao, Ruo

    2016-01-27

    This work successfully demonstrates metal-organic framework (MOF) derived strategy to prepare nanoporous carbon (NPC) with or without Fe3O4/Fe nanoparticles by the optimization of calcination temperature as highly active electrode materials for asymmetric supercapacitors (ASC). The nanostructured Fe3O4/Fe/C hybrid shows high specific capacitance of 600 F/g at a current density of 1 A/g and excellent capacitance retention up to 500 F/g at 8 A/g. Furthermore, hierarchically NPC with high surface area also obtained from MOF gels displays excellent electrochemical performance of 272 F/g at 2 mV/s. Considering practical applications, aqueous ASC (aASC) was also assembled, which shows high energy density of 17.496 Wh/kg at the power density of 388.8 W/kg. The high energy density and excellent capacity retention of the developed materials show great promise for the practical utilization of these energy storage devices.

  11. A Novel Manufacturing Processing Route for Forming High-Density Ceramic Armor Materials: Phase I - SBIR

    National Research Council Canada - National Science Library

    Raman, Ramas

    1999-01-01

    .... The effects of applied pressure and pressure-transmitting media (PTM) temperature in controlling density, as well as thermal management issues to prevent cracking in applying the CS/Ceracon process to form TiC and TiB2, have been identified...

  12. Temperature Buffer Test. Measurements of water content and density of the excavated buffer material

    Energy Technology Data Exchange (ETDEWEB)

    Johannesson, Lars-Erik [Clay Technology AB, Lund (Sweden)

    2010-12-15

    TBT (Temperature Buffer Test) is a joint project between SKB/ANDRA and supported by ENRESA (modeling) and DBE (instrumentation), which aims at understanding and modeling the thermo-hydromechanical behavior of buffers made of swelling clay submitted to high temperatures (over 100 deg C) during the water saturation process. The test was carried out at the - 420 m level in Aespoe HRL in a 8 meters deep and 1.76 m diameter deposition hole, with two heaters (3 m long, 0.6 m diameter), surrounded by a MX-80 bentonite buffer and a confining plug on top anchored with 9 rods. It was installed during spring 2003. The bentonite around upper heater was removed during the period October - December 2009 and the buffer around the lower heater was removed during January - Mars 2010. During dismantling of the buffer, samples were taken on which analyses were made. This report describes the work with the deteroemoeination of the water content and the density of the taken samples. Most of the samples were taken from the buffer by core drilling from the upper surface of each installed bentonite block. The cores had a diameter of about 50 mm and a maximum length equal to the original height of the bentonite blocks (about 500 mm). The water content of the buffer was determined by drying a sample at a temperature of 105 deg C for 24 h and the bulk density was determined by weighing a sample both in the air and immerged in paraffin oil with known density. The water content, dry density, degree of saturation and void ratio of the buffer were then plotted. The plots show that all parts of the buffer had taken up water and the degree of saturation of the buffer varied between 90 - 100%. Large variation in the dry density of the buffer was also observed.

  13. Tube-Super Dielectric Materials: Electrostatic Capacitors with Energy Density Greater than 200 J·cm-3.

    Science.gov (United States)

    Cortes, Francisco Javier Quintero; Phillips, Jonathan

    2015-09-17

    The construction and performance of a second generation of super dielectric material based electrostatic capacitors (EC), with energy density greater than 200 J·cm - ³, which rival the best reported energy density of electric double layer capacitors (EDLC), also known as supercapacitors, are reported. The first generation super dielectric materials (SDM) are multi-material mixtures with dielectric constants greater than 1.0 × 10⁵, composed of a porous, electrically insulating powder filled with a polarizable, ion-containing liquid. Second-generation SDMs (TSDM), introduced here, are anodic titania nanotube arrays filled with concentrated aqueous salt solutions. Capacitors using TiO₂ based TSDM were found to have dielectric constants at ~0 Hz greater than 10⁷ in all cases, a maximum operating voltage of greater than 2 volts and remarkable energy density that surpasses the highest previously reported for EC capacitors by approximately one order of magnitude. A simple model based on the classic ponderable media model was shown to be largely consistent with data from nine EC type capacitors employing TSDM.

  14. Tube-Super Dielectric Materials: Electrostatic Capacitors with Energy Density Greater than 200 J·cm−3

    Directory of Open Access Journals (Sweden)

    Francisco Javier Quintero Cortes

    2015-09-01

    Full Text Available The construction and performance of a second generation of super dielectric material based electrostatic capacitors (EC, with energy density greater than 200 J·cm−3, which rival the best reported energy density of electric double layer capacitors (EDLC, also known as supercapacitors, are reported. The first generation super dielectric materials (SDM are multi-material mixtures with dielectric constants greater than 1.0 × 105, composed of a porous, electrically insulating powder filled with a polarizable, ion-containing liquid. Second-generation SDMs (TSDM, introduced here, are anodic titania nanotube arrays filled with concentrated aqueous salt solutions. Capacitors using TiO2 based TSDM were found to have dielectric constants at ~0 Hz greater than 107 in all cases, a maximum operating voltage of greater than 2 volts and remarkable energy density that surpasses the highest previously reported for EC capacitors by approximately one order of magnitude. A simple model based on the classic ponderable media model was shown to be largely consistent with data from nine EC type capacitors employing TSDM.

  15. The effect of adsorbed liquid and material density on saltation threshold: Insight from laboratory and wind tunnel experiments

    Science.gov (United States)

    Yu, Xinting; Hörst, Sarah M.; He, Chao; Bridges, Nathan T.; Burr, Devon M.; Sebree, Joshua A.; Smith, James K.

    2017-11-01

    Saltation threshold, the minimum wind speed for sediment transport, is a fundamental parameter in aeolian processes. Measuring this threshold using boundary layer wind tunnels, in which particles are mobilized by flowing air, for a subset of different planetary conditions can inform our understanding of physical processes of sediment transport. The presence of liquid, such as water on Earth or methane on Titan, may affect the threshold values to a great extent. Sediment density is also crucial for determining threshold values. Here we provide quantitative data on density and water content of common wind tunnel materials (including chromite, basalt, quartz sand, beach sand, glass beads, gas chromatograph packing materials, walnut shells, iced tea powder, activated charcoal, instant coffee, and glass bubbles) that have been used to study conditions on Earth, Titan, Mars, and Venus. The measured density values for low density materials are higher compared to literature values (e.g., ∼30% for walnut shells), whereas for the high density materials, there is no such discrepancy. We also find that low density materials have much higher water content and longer atmospheric equilibration timescales compared to high density sediments. We used thermogravimetric analysis (TGA) to quantify surface and internal water and found that over 80% of the total water content is surface water for low density materials. In the Titan Wind Tunnel (TWT), where Reynolds number conditions similar to those on Titan can be achieved, we performed threshold experiments with the standard walnut shells (125-150 μm, 7.2% water by mass) and dried walnut shells, in which the water content was reduced to 1.7%. The threshold results for the two scenarios are almost the same, which indicates that humidity had a negligible effect on threshold for walnut shells in this experimental regime. When the water content is lower than 11.0%, the interparticle forces are dominated by adsorption forces, whereas at

  16. Thermal expansion and density measurements of molten and solid materials at high temperatures by the gamma attenuation technique

    International Nuclear Information System (INIS)

    Drotning, W.D.

    1979-05-01

    An apparatus is described for the measurement of the density and thermal expansion of molten materials to 3200 0 K using the gamma attenuation technique. The precision of the experimental technique was analytically examined for both absolute and relative density determinations. Three analytical expressions used to reduce data for liquid density determinations were evaluated for their precision. Each allows use of a different set of input data parameters, which can be chosen based on experimental considerations. Using experimentally reasonable values for the precision of the parameters yields a similar resultant density precision from the three methods, on the order of 0.2%. The analytical method for measurements of the linear thermal expansion of solids by the gamma method is also described. To demonstrate the use of the technique on reasonably well-characterized systems, data are presented for (1) the density and thermal expansion of molten tin, lead, and aluminum to 1300 0 K, (2) the thermal expansion of solid aluminum to the melting point, and (3) the thermal expansion of a low melting point glass through the transition temperature and melting region. The data agree very well with published results using other methods where such published data exist

  17. Conversion of ionization measurements to radiation absorbed dose in non-water density material

    International Nuclear Information System (INIS)

    El-Khatib, E.; Connors, S.

    1992-01-01

    In bone-equivalent materials two different calculations of absorbed dose are possible: the absorbed dose to soft tissue plastic (polystyrene) within bone-equivalent material and the dose to the bone-equivalent material itself. Both can be calculated from ionization measurements in phantoms. These two calculations result in significantly different doses in a heterogeneous phantom composed of polystyrene and aluminium (a bone substitute). The dose to a thin slab of polystyrene in aluminium is much higher than the dose to the aluminium itself at the same depth in the aluminium. Monte Carlo calculations confirm that the calculation of dose to polystyrene in aluminium can be accurately carried out using existing dosimetry protocols. However, the conversion of ionization measurements to absorbed dose to high atomic number materials cannot be accurately carried out with existing protocols and appropriate conversion factors need to be determined. (author)

  18. Computation of the current density in nonlinear materials subjected to large current pulses

    International Nuclear Information System (INIS)

    Hodgdon, M.L.; Hixson, R.S.; Parsons, W.M.

    1991-01-01

    This paper reports that the finite element method and the finite difference method are used to calculate the current distribution in two nonlinear conductors. The first conductor is a small ferromagnetic wire subjected to a current pulse that rises to 10,000 Amperes in 10 microseconds. Results from the transient thermal and transient magnetic solvers of the finite element code FLUX2D are used to compute the current density in the wire. The second conductor is a metal oxide varistor. Maxwell's equations, Ohm's law and the varistor relation for the resistivity and the current density of p = αj -β are used to derive a nonlinear differential equation. The solutions of the differential equation are obtained by a finite difference approximation and a shooting method. The behavior predicted by these calculations is in agreement with experiments

  19. Specific Modulus and Density Profile as Characterization Criteria of Prefabricated Wood Composite Materials

    Directory of Open Access Journals (Sweden)

    Pavel Král

    2015-01-01

    Full Text Available Wood based product industry has developed and modified a wide range of products to cater changing demands of construction industry. Development of a product necessitates characterization to ensure compliance to established standards. Traditionally a product was characterized by properties like bending properties, density and swelling factor etc. Whereas, advances in technology has introduced more sophisticated parameters which represent a combination of various classical factors and provide more practical and detailed information. In this study, we procured four different types of commercial products, viz. Gypsum board, cement board, oriented strand board and gypsum fiber board and tried to characterized them using density profile ratio and stiffness ratio. We observed some interesting empirical relations between various parameters as represented in various plots.

  20. X-ray electron density investigation of chemical bonding in van der Waals materials

    Science.gov (United States)

    Kasai, Hidetaka; Tolborg, Kasper; Sist, Mattia; Zhang, Jiawei; Hathwar, Venkatesha R.; Filsø, Mette Ø.; Cenedese, Simone; Sugimoto, Kunihisa; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.

    2018-03-01

    Van der Waals (vdW) solids have attracted great attention ever since the discovery of graphene, with the essential feature being the weak chemical bonding across the vdW gap. The nature of these weak interactions is decisive for many extraordinary properties, but it is a strong challenge for current theory to accurately model long-range electron correlations. Here we use synchrotron X-ray diffraction data to precisely determine the electron density in the archetypal vdW solid, TiS2, and compare the results with density functional theory calculations. Quantitative agreement is observed for the chemical bonding description in the covalent TiS2 slabs, but significant differences are identified for the interactions across the gap, with experiment revealing more electron deformation than theory. The present data provide an experimental benchmark for testing theoretical models of weak chemical bonding.

  1. Experimental study of the density distribution of the particles of the material in screw installation

    Directory of Open Access Journals (Sweden)

    Demidov S. F.

    2017-02-01

    Full Text Available the experimental studies of density distribution of the particles of a mixture of wheat, oats, rye to feed pigs by infrared heating at the time of stay and temperature at the exit of the installation. The purpose of the work is to study the quality of treatment of the product with the settings with the screw and the screw with installed round jumper on the pen of the screw. Screw installations with infrared emitters of selected wavelength give the opportunity for intense and continuous heat treatment process. The authors used the optimal parameters of the process with the screw and the screw with installed round jumper on the pen of the screw. The parameters of screw installation during the study were the following: the number of revolutions of the screw was 10 rpm, density of heat flux was 12 kW/m2, output capacity – 250 kg/h.

  2. Fundamental Study of Interactions Between Pulsed High-Density Plasmas and Materials for Space Propulsion

    Science.gov (United States)

    2016-05-23

    to measure with accuracy. Figure 1: Capillary discharge (left), power supply for the capillary discharge (middle), and a spectrum used to establish...and 4 kV using time-integrated spectroscopy, time-resolved light intensity measurements , and time-resolved pressure measurements at multiple...locations. We estimated the electron density from line broadening of the H line, and electron temperature from a local thermodynamic equilibrium ( LTE

  3. Dislocation-induced stress in polycrystalline materials: mesoscopic simulations in the dislocation density formalism

    Science.gov (United States)

    Berkov, D. V.; Gorn, N. L.

    2018-06-01

    In this paper we present a simple and effective numerical method which allows a fast Fourier transformation-based evaluation of stress generated by dislocations with arbitrary directions and Burgers vectors if the (site-dependent) dislocation density is known. Our method allows the evaluation of the dislocation stress using a rectangular grid with shape-anisotropic discretization cells without employing higher multipole moments of the dislocation interaction coefficients. Using the proposed method, we first simulate the stress created by relatively simple non-homogeneous distributions of vertical edge and so-called ‘mixed’ dislocations in a disk-shaped sample, which is necessary to understand the dislocation behavior in more complicated systems. The main part of our research is devoted to the stress distribution in polycrystalline layers with the dislocation density rapidly varying with the distance to the layer bottom. Considering GaN as a typical example of such systems, we investigate dislocation-induced stress for edge and mixed dislocations, having random orientations of Burgers vectors among crystal grains. We show that the rapid decay of the dislocation density leads to many highly non-trivial features of the stress distributions in such layers and study in detail the dependence of these features on the average grain size. Finally we develop an analytical approach which allows us to predict the evolution of the stress variance with the grain size and compare analytical predictions with numerical results.

  4. Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

    Science.gov (United States)

    Li, Wangda; Dolocan, Andrei; Oh, Pilgun; Celio, Hugo; Park, Suhyeon; Cho, Jaephil; Manthiram, Arumugam

    2017-01-01

    Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species. By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries. PMID:28443608

  5. Effect of radical species density and ion bombardment during ashing of extreme ultralow-κ interlevel dielectric materials

    International Nuclear Information System (INIS)

    Worsley, M. A.; Bent, S. F.; Fuller, N. C. M.; Tai, T. L.; Doyle, J.; Rothwell, M.; Dalton, T.

    2007-01-01

    The significance of ion impact and radical species density on ash-induced modification of an extreme ultralow-κ interlevel dielectric (ILD) material (κ 2 and Ar/N 2 dual frequency capacitive discharges is determined by combining plasma diagnostics, modeling of the ion angular distribution function, and material characterization such as angle resolved x-ray photoelectron spectroscopy. Radical species density was determined by optical emission actinometry under the same conditions and in the same reactor in a previous study by the present authors. ILD modification is observed and correlated with changes in the plasma for a range of pressures (5-60 mTorr), bias powers (0-350 W), and percent Ar in the source gas (0%, 85%). For the Ar/O 2 discharge, extensive modification of the ILD sidewall was observed for significant ion scattering conditions, whereas minimal modification of the ILD sidewall was observed under conditions of minimal or no ion scattering. Further, for an identical increase in the O-radical density (∼ an order of magnitude), a different degree of modification was induced at the ILD trench bottom surface depending on whether pressure or percent Ar was used to increase the radical density. The different degrees of modification seemingly correlated with the relative changes in the ion current for increasing pressure or percent Ar. For the Ar/N 2 discharge, reduced damage of the ILD sidewall and trench bottom surfaces was observed for increasing pressure (increasing N-radical density) and decreasing ion current to both surfaces. It is, thus, proposed that the mechanism for modification of the porous ILD is dominated by the creation of reactive sites by ion impact under the present conditions. A detailed discussion of the results which support this proposal is presented

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

    Science.gov (United States)

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

    2018-05-01

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

  7. First principles density functional theory study of Pb doped α-MnO2 catalytic materials

    Science.gov (United States)

    Song, Zilin; Yan, Zhiguo; Yang, Xiaojun; Bai, Hang; Duan, Yuhua; Yang, Bin; Leng, Li

    2018-03-01

    The impact of Pb in the tunnels of manganese oxide octahedral molecular sieves on chemical state of Mn species and lattice oxygen were investigated utilizing density functional theory calculations. The results show that the Pb dopant in the tunnels of OMS-2 could reduce the average valence states of Mn. The lower energy required for bulk oxygen defects formation in Pb-OMS-2 validates the activation of lattice oxygen by inclusion of tunnel dopant. The inclusion of Pb promotes the catalytic oxidation activity of OMS-2 by reducing the energy required for the surface lattice oxygen migration during the Mars - van Krevelen oxidation process.

  8. Combining density functional theory calculations, supercomputing, and data-driven methods to design new materials (Conference Presentation)

    Science.gov (United States)

    Jain, Anubhav

    2017-04-01

    Density functional theory (DFT) simulations solve for the electronic structure of materials starting from the Schrödinger equation. Many case studies have now demonstrated that researchers can often use DFT to design new compounds in the computer (e.g., for batteries, catalysts, and hydrogen storage) before synthesis and characterization in the lab. In this talk, I will focus on how DFT calculations can be executed on large supercomputing resources in order to generate very large data sets on new materials for functional applications. First, I will briefly describe the Materials Project, an effort at LBNL that has virtually characterized over 60,000 materials using DFT and has shared the results with over 17,000 registered users. Next, I will talk about how such data can help discover new materials, describing how preliminary computational screening led to the identification and confirmation of a new family of bulk AMX2 thermoelectric compounds with measured zT reaching 0.8. I will outline future plans for how such data-driven methods can be used to better understand the factors that control thermoelectric behavior, e.g., for the rational design of electronic band structures, in ways that are different from conventional approaches.

  9. Development of a high-density nonwoven structure to improve the stab resistance of protective clothing material.

    Science.gov (United States)

    Bao, Limin; Wang, Yanling; Baba, Takeichiro; Fukuda, Yasuhiro; Wakatsuki, Kaoru; Morikawa, Hideaki

    2017-12-07

    The purpose of this research was to enhance the stab resistance of protective clothing material by developing a new high-density nonwoven structure. Ice picks often injure Japanese police officers due to the strict regulation of swords in the country. Consequently, this study was designed to improve stab resistance against ice picks. Most existing anti-stab protective clothing research has focused on various fabrics impregnated with resin, an approach that brings with it problems of high cost and complicated processing. Seldom has research addressed the potential for improving stab resistance by using nonwoven structures, which exhibit better stab resistance than fabric. In this research, we prepared a series of nonwoven structures with densities ranging from about 0.14 g/cm 3 to 0.46 g/cm 3 by varying the number of stacked layers of Kevlar/polyester nonwoven under a hot press. We then proposed two methods for producing such hot-press nonwovens: the multilayer hot-press method and the monolayer hot-press method. Stab resistance was evaluated according to NIJ Standard-0115.00. We also investigated the relationship among nonwoven density, stab resistance, and flexural rigidity, and here we discuss the respective properties of the two proposed methods. Our results show that stab resistance and flexural rigidity increase with nonwoven density, but flexural rigidity of nonwovens prepared using the monolayer hot-press method only shows a slight change as nonwoven density increases. Though the two methods exhibit little difference in maximum load, the flexural rigidity of nonwovens prepared using the monolayer hot-press method is much lower, which contributes to superior wear comfort. Finally, we investigated the mechanism behind the stabbing process. Stabbing with an ice pick is a complicated process that involves many factors. Our findings indicate that nonwovens stop penetration primarily in two ways: nonwoven deformation and fiber fractures.

  10. High power densities from high-temperature material interactions. [in thermionic energy conversion and metallic fluid heat pipes

    Science.gov (United States)

    Morris, J. F.

    1981-01-01

    Thermionic energy conversion (TEC) and metallic-fluid heat pipes (MFHPs), offering unique advantages in terrestrial and space energy processing by virtue of operating on working-fluid vaporization/condensation cycles that accept great thermal power densities at high temperatures, share complex materials problems. Simplified equations are presented that verify and solve such problems, suggesting the possibility of cost-effective applications in the near term for TEC and MFHP devices. Among the problems discussed are: the limitation of alkali-metal corrosion, protection against hot external gases, external and internal vaporization, interfacial reactions and diffusion, expansion coefficient matching, and creep deformation.

  11. High Torque Density Transverse Flux Machine without the Need to Use SMC Material for 3D Flux Paths

    DEFF Research Database (Denmark)

    Lu, Kaiyuan; Wu, Weimin

    2015-01-01

    This paper presents a new transverse flux permanent magnet machine. In a normal transverse flux machine, complicated 3-D flux paths often exist. Such 3-D flux paths would require the use of soft magnetic composites material instead of laminations for construction of the machine stator. In the new...... machine topology proposed in this paper, by advantageously utilizing the magnetic flux path provided by an additional rotor, use of laminations that allow 2-D flux paths only will be sufficient to accomplish the required 3-D flux paths. The machine also has a high torque density and is therefore...

  12. History of the AFRL/USC DARPA Program on Polynitrogen Chemistry. Volume 2

    National Research Council Canada - National Science Library

    Christe, Karl O; Vij, Ashwani

    2004-01-01

    In the course of the High Energy Density Matter (HEDM) Program, which was initiated in 1986 by the Air Force, the potential of polynitrogen compounds for HEDM was recognized by numerous theoretical studies...

  13. Comparative studies on physico-mechanical properties of composite materials of low density polyethylene and raw/calcined kaolin

    Directory of Open Access Journals (Sweden)

    Amit Mallik

    2015-06-01

    Full Text Available The paper describes the preparation of the composite materials of low density polyethylene (LDPE as the base mixed separately with raw kaolin and the same calcined at 800 °C under the same variation in weight percentage using single-screw extruder and a mixing machine operated at a temperature between 190 and 200 °C. Some of the mechanical and physical properties such as Young's modulus, elongation at break, shore hardness and water absorption were determined at different weight fractions of filler (0, 2, 7, 10 and 15%. It was found that the addition of filler increases the mechanical properties. Absorption test was done in water at different immersion times for different composites. The degree of water absorption of composite materials was found to decrease with increasing wt% of kaolin filler (0–15% according to Fick's law. Calcined kaolin produces better mechanical properties than raw kaolin.

  14. A chemistry and material perspective on lithium redox flow batteries towards high-density electrical energy storage.

    Science.gov (United States)

    Zhao, Yu; Ding, Yu; Li, Yutao; Peng, Lele; Byon, Hye Ryung; Goodenough, John B; Yu, Guihua

    2015-11-21

    Electrical energy storage system such as secondary batteries is the principle power source for portable electronics, electric vehicles and stationary energy storage. As an emerging battery technology, Li-redox flow batteries inherit the advantageous features of modular design of conventional redox flow batteries and high voltage and energy efficiency of Li-ion batteries, showing great promise as efficient electrical energy storage system in transportation, commercial, and residential applications. The chemistry of lithium redox flow batteries with aqueous or non-aqueous electrolyte enables widened electrochemical potential window thus may provide much greater energy density and efficiency than conventional redox flow batteries based on proton chemistry. This Review summarizes the design rationale, fundamentals and characterization of Li-redox flow batteries from a chemistry and material perspective, with particular emphasis on the new chemistries and materials. The latest advances and associated challenges/opportunities are comprehensively discussed.

  15. Scalable real space pseudopotential density functional codes for materials in the exascale regime

    Science.gov (United States)

    Lena, Charles; Chelikowsky, James; Schofield, Grady; Biller, Ariel; Kronik, Leeor; Saad, Yousef; Deslippe, Jack

    Real-space pseudopotential density functional theory has proven to be an efficient method for computing the properties of matter in many different states and geometries, including liquids, wires, slabs, and clusters with and without spin polarization. Fully self-consistent solutions using this approach have been routinely obtained for systems with thousands of atoms. Yet, there are many systems of notable larger sizes where quantum mechanical accuracy is desired, but scalability proves to be a hindrance. Such systems include large biological molecules, complex nanostructures, or mismatched interfaces. We will present an overview of our new massively parallel algorithms, which offer improved scalability in preparation for exascale supercomputing. We will illustrate these algorithms by considering the electronic structure of a Si nanocrystal exceeding 104 atoms. Support provided by the SciDAC program, Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences. Grant Numbers DE-SC0008877 (Austin) and DE-FG02-12ER4 (Berkeley).

  16. Energy density engineering via zero-admittance domains in all-dielectric stratified materials

    Science.gov (United States)

    Amra, Claude; Zerrad, Myriam; Lemarchand, Fabien; Lereu, Aude; Passian, Ali; Zapien, Juan Antonio; Lequime, Michel

    2018-02-01

    Emerging photonic, sensing, and quantum applications require high fields and tight localization but low power consumption. Spatial, spectral, and magnitude control of electromagnetic fields is of key importance for enabling experiments in atomic, molecular, and optical physics. We introduce the concept of zero-admittance domains as a mechanism for tailoring giant optical fields bound within or on the surface of dielectric media. The described mechanism permits the creation of highly localized fields of extreme amplitudes simultaneously for incident photons of multiple wavelengths and incidence angles but arbitrary polarization states. No material constraints are placed upon the bounding media. Both intrinsic and extrinsic potential practical limitations of the predicted field enhancement are analyzed and applications relevant to optical sensors and microsources are briefly discussed.

  17. Tomography of atomic number and density of materials using dual-energy imaging and the Alvarez and Macovski attenuation model

    Energy Technology Data Exchange (ETDEWEB)

    Paziresh, M.; Kingston, A. M., E-mail: andrew.kingston@anu.edu.au; Latham, S. J.; Fullagar, W. K.; Myers, G. M. [Department of Applied Mathematics, Research School of physics and Engineering, The Australian National University, Canberra 2601 (Australia)

    2016-06-07

    Dual-energy computed tomography and the Alvarez and Macovski [Phys. Med. Biol. 21, 733 (1976)] transmitted intensity (AMTI) model were used in this study to estimate the maps of density (ρ) and atomic number (Z) of mineralogical samples. In this method, the attenuation coefficients are represented [Alvarez and Macovski, Phys. Med. Biol. 21, 733 (1976)] in the form of the two most important interactions of X-rays with atoms that is, photoelectric absorption (PE) and Compton scattering (CS). This enables material discrimination as PE and CS are, respectively, dependent on the atomic number (Z) and density (ρ) of materials [Alvarez and Macovski, Phys. Med. Biol. 21, 733 (1976)]. Dual-energy imaging is able to identify sample materials even if the materials have similar attenuation coefficients at single-energy spectrum. We use the full model rather than applying one of several applied simplified forms [Alvarez and Macovski, Phys. Med. Biol. 21, 733 (1976); Siddiqui et al., SPE Annual Technical Conference and Exhibition (Society of Petroleum Engineers, 2004); Derzhi, U.S. patent application 13/527,660 (2012); Heismann et al., J. Appl. Phys. 94, 2073–2079 (2003); Park and Kim, J. Korean Phys. Soc. 59, 2709 (2011); Abudurexiti et al., Radiol. Phys. Technol. 3, 127–135 (2010); and Kaewkhao et al., J. Quant. Spectrosc. Radiat. Transfer 109, 1260–1265 (2008)]. This paper describes the tomographic reconstruction of ρ and Z maps of mineralogical samples using the AMTI model. The full model requires precise knowledge of the X-ray energy spectra and calibration of PE and CS constants and exponents of atomic number and energy that were estimated based on fits to simulations and calibration measurements. The estimated ρ and Z images of the samples used in this paper yield average relative errors of 2.62% and 1.19% and maximum relative errors of 2.64% and 7.85%, respectively. Furthermore, we demonstrate that the method accounts for the beam hardening effect in density (

  18. Structural materialization of stainless steel molds and dies by the low temperature high density plasma nitriding

    Directory of Open Access Journals (Sweden)

    Aizawa Tatsuhiko

    2015-01-01

    Full Text Available Various kinds of stainless steels have been widely utilized as a mold substrate material for injection molding and as a die for mold-stamping and direct stamping processes. Since they suffered from high temperature transients and thermal cycles in practice, they must be surface-treated by dry and wet coatings, or, by plasma nitriding. Martensitic stainless steel mold was first wet plated by the nickel phosphate (NiP, which was unstable at the high temperature stamping condition; and, was easy to crystalize or to fracture by itself. This issue of nuisance significantly lowered the productivity in fabrication of optical elements at present. In the present paper, the stainless steel mold was surface-treated by the low-temperature plasma nitriding. The nitrided layer by this surface modification had higher nitrogen solute content than 4 mass%; the maximum solid-solubility of nitrogen is usually 0.1 mass% in the equilibrium phase diagram. Owing to this solid-solution with high nitrogen concentration, the nitrided layer had high hardness of 1400 Hv within its thickness of 40 μm without any formation of nitrides after 14.4 ks plasma nitriding at 693 K. This nitrogen solid-solution treated stainless steel had thermal resistivity even at the mold-stamping conditions up to 900 K.

  19. Predictive equation of state method for heavy materials based on the Dirac equation and density functional theory

    Science.gov (United States)

    Wills, John M.; Mattsson, Ann E.

    2012-02-01

    Density functional theory (DFT) provides a formally predictive base for equation of state properties. Available approximations to the exchange/correlation functional provide accurate predictions for many materials in the periodic table. For heavy materials however, DFT calculations, using available functionals, fail to provide quantitative predictions, and often fail to be even qualitative. This deficiency is due both to the lack of the appropriate confinement physics in the exchange/correlation functional and to approximations used to evaluate the underlying equations. In order to assess and develop accurate functionals, it is essential to eliminate all other sources of error. In this talk we describe an efficient first-principles electronic structure method based on the Dirac equation and compare the results obtained with this method with other methods generally used. Implications for high-pressure equation of state of relativistic materials are demonstrated in application to Ce and the light actinides. Sandia National Laboratories is a multi-program laboratory managed andoperated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  20. Nano-sized structured layered positive electrode materials to enable high energy density and high rate capability lithium batteries

    Science.gov (United States)

    Deng, Haixia; Belharouak, Ilias; Amine, Khalil

    2012-10-02

    Nano-sized structured dense and spherical layered positive active materials provide high energy density and high rate capability electrodes in lithium-ion batteries. Such materials are spherical second particles made from agglomerated primary particles that are Li.sub.1+.alpha.(Ni.sub.xCo.sub.yMn.sub.z).sub.1-tM.sub.tO.sub.2-dR.sub.d- , where M is selected from can be Al, Mg, Fe, Cu, Zn, Cr, Ag, Ca, Na, K, In, Ga, Ge, V, Mo, Nb, Si, Ti, Zr, or a mixture of any two or more thereof, R is selected from F, Cl, Br, I, H, S, N, or a mixture of any two or more thereof, and 0.ltoreq..alpha..ltoreq.0.50; 0materials and their use in electrochemical devices are also described.

  1. 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.

  2. Spectroscopic investigations using density functional theory on 2-methoxy- 4(phenyliminomethyl)phenol: A non linear optical material

    Science.gov (United States)

    Hijas, K. M.; Madan Kumar, S.; Byrappa, K.; Geethakrishnan, T.; Jeyaram, S.; Nagalakshmi, R.

    2018-03-01

    Single crystals of 2-methoxy-4(phenyliminomethyl)phenol were grown from ethanol by slow evaporation solution growth technique. Single crystal X-ray diffraction experiment reveals the crystallization in orthorhombic system having non-centrosymmetric space group C2221. Geometrical optimization by density functional theory method was carried out using Gaussian program and compared with experimental results. Detailed experimental and theoretical vibrational analyses were carried out and the results were correlated to find close agreement. Thermal analyses show the material is thermally stable with a melting point of 159 °C. Natural bond orbital analysis was carried out to explain charge transfer interactions through hydrogen bonding. Relatively smaller HOMO-LUMO band gap favors the non linear optical activity of the molecule. Natural population analysis and molecular electrostatic potential calculations visualize the charge distribution in an isolated molecule. Calculated first-order molecular hyperpolarizability and preliminary second harmonic generation test carried out using Kurtz-Perry technique establish 2-methoxy-4(phenyliminomethyl)phenol crystal as a good non linear optical material. Z-scan proposes the material for reverse saturable absorption.

  3. Effect of density inversion on the transient natural convection of liquids in a cavity with a non darcian porous material

    International Nuclear Information System (INIS)

    Moraga, Nelson O; Vega, Sylvana A

    2004-01-01

    This work aims to describe the mechanics of fluids and heat transfer by natural convection in porous materials, full of liquid phase elements like gallium and water. The transient process occurs inside a cavity with two adiabatic and two isothermic walls, at different temperatures. The properties vary with the temperature and specifically include the non lineal variation of the density with the temperature, that is typical of these elements. The study uses a mathematical model based on continuity equations, lineal moment and energy, including transport by convection and by diffusion. The method of finite volumes is used for the numerical simulation. The results generated include the variation in time of the distributions of speed and temperature (CW)

  4. Density Functional Theory applied to magnetic materials: Mn{sub 3}O{sub 4} at different hybrid functionals

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, R.A.P. [Department of Chemistry, State University of Ponta Grossa, Av. General Carlos Cavalcanti, 4748, 84030-900 Ponta Grossa, PR (Brazil); Lazaro, S.R. de, E-mail: srlazaro@upeg.br [Department of Chemistry, State University of Ponta Grossa, Av. General Carlos Cavalcanti, 4748, 84030-900 Ponta Grossa, PR (Brazil); Pianaro, S.A. [Department of Materials Engineering, State University of Ponta Grossa, Av. General Carlos Cavalcanti, 4748, 84030-900 Ponta Grossa, PR (Brazil)

    2015-10-01

    Antiferromagnetic Mn{sub 3}O{sub 4} in spinel structure was investigated employing the Density Functional Theory at different hybrid functionals with default HF exchange percentage. Structural, electronic and magnetic properties were examined. Structural results were in agreement with experimental and Hartree–Fock results showing that the octahedral site was distorted by the Jahn–Teller effect, which changed the electron density distribution. Band-gap results for B3LYP and B3PW hybrid functionals were closer to the experimental when compared to PBE0. Mulliken Population Analysis revealed magnetic moments very close to ideal d{sup 4} and d{sup 5} electron configurations of Mn{sup 3+} and Mn{sup 2+}, respectively. Electron density maps are useful to determine that oxygen atoms mediate the electron transfer between octahedral and tetrahedral clusters. Magnetic properties were investigated from theoretical results for exchange coupling constants. Intratetrahedral and tetra-octahedral interactions were observed to be antiferromagnetic, whereas, octahedral sites presented antiferromagnetic interactions in the same layer and ferromagnetic in adjacent layers. Results showed that only default B3LYP was successful to describe magnetic properties of antiferromagnetic materials in agreement with experimental results. - Highlights: • We study structural, electronic and magnetic properties of antiferromagnetic Mn{sub 3}O{sub 4}. • B3LYP, B3PW and PBE0 hybrid functionals are compared. • B3LYP and B3PW hybrid functionals are better to band-gap calculations. • Only default B3LYP was successful to describe exchange interactions for Mn{sub 3}O{sub 4}.

  5. Spectroscopic Investigation of the Canopy Configurations in Nanoparticle Organic Hybrid Materials of Various Grafting Densities during CO 2 Capture

    KAUST Repository

    Petit, Camille; Park, Youngjune; Lin, Kun-Yi Andrew; Park, Ah-Hyung Alissa

    2012-01-01

    Novel liquid-like nanoparticle organic hybrid materials (NOHMs) made of polyetheramine chains tethered onto functionalized silica nanoparticles were synthesized and characterized before and after exposure to CO 2 using NMR, Raman, and ATR FT-IR spectroscopies in order to investigate the effect of the grafting densities on the NOHM canopy structure. Considering the promising tunable properties for CO 2 capture of NOHMs, this study was conducted to provide important structural information to better design NOHMs for CO 2 capture. In order to minimize the CO 2 absorption via enthalpic effect and provide a more accurate assessment of the structural effects, the NOHMs were synthesized without task-specific groups. A greater chain ordering and decreased intermolecular interactions were observed in NOHMs compared to the unbound polymer. This was attributed to the specific structural arrangement of the frustrated canopy. The distinct configuration of grafted polymer chains caused different CO 2 packing and CO 2-induced swelling behaviors between the NOHMs and the unbound polymer. The grafting density influenced the ordering and coupling of the polymer chains and CO 2-induced swelling. Its effect on the CO 2 packing behavior was less pronounced. © 2011 American Chemical Society.

  6. Spectroscopic Investigation of the Canopy Configurations in Nanoparticle Organic Hybrid Materials of Various Grafting Densities during CO 2 Capture

    KAUST Repository

    Petit, Camille

    2012-01-12

    Novel liquid-like nanoparticle organic hybrid materials (NOHMs) made of polyetheramine chains tethered onto functionalized silica nanoparticles were synthesized and characterized before and after exposure to CO 2 using NMR, Raman, and ATR FT-IR spectroscopies in order to investigate the effect of the grafting densities on the NOHM canopy structure. Considering the promising tunable properties for CO 2 capture of NOHMs, this study was conducted to provide important structural information to better design NOHMs for CO 2 capture. In order to minimize the CO 2 absorption via enthalpic effect and provide a more accurate assessment of the structural effects, the NOHMs were synthesized without task-specific groups. A greater chain ordering and decreased intermolecular interactions were observed in NOHMs compared to the unbound polymer. This was attributed to the specific structural arrangement of the frustrated canopy. The distinct configuration of grafted polymer chains caused different CO 2 packing and CO 2-induced swelling behaviors between the NOHMs and the unbound polymer. The grafting density influenced the ordering and coupling of the polymer chains and CO 2-induced swelling. Its effect on the CO 2 packing behavior was less pronounced. © 2011 American Chemical Society.

  7. Fabrication and materials properties of high-density polyethylene (HDPE)/biphasic calcium phosphate (BCP) hybrid bone plates

    International Nuclear Information System (INIS)

    Jo, Sun Young; Youn, Min Ho; Lim, Youn Mook; Gwon, Hui Jeong; Park, Jong Seok; Nho, Young Chang

    2010-01-01

    Biphasic calcium phosphate-reinforced high-density polyethylene (BCP/HDPE) hybrid composite is a new orthopedic biomaterial, which was made to simulate a natural bone composition. Calcium phosphate systems and HDPE hybrid composites have been used in biomedical applications without any inflammatory response. Differences in natural bone of both materials have motivated the use of coupling agents to improve their interfacial interfacial interactions. The composites were prepared using medical grade BCP powder and granular polyethylene. This material was produced by replacing the mineral component and collagen soft tissue of the bone with BCP and HDPE, respectively. As expected, increased volume fraction of either reinforcement type over 0 ∼ 50 vol.% resulted in a increased Vickers hardness and Young's modulus. Thus, BCP particle-reinforced HDPE composites possessed improved material and mechanical properties. BCP particles-reinforced composites were anisotropic due to an alignment of the particles in the matrix during a processing. On the other hand, bending and tensile strength was dramatically changed in the matrix. To change the material and mechanical properties of HDPE/BCP composites, the process of a blending was used, and its effect on the microstructure and mechanical proprieties of HDPE/BCP composites were investigated by means of FT-IR/ATR spectroscopy, XRD, FE-SEM, Vickers Hardness Testing Machine, Universal Testing Machine, Mercury Porosimeter and Ultrasonic Flaw Detector at room temperature. For the evaluation of the cell viability and proliferation onto the external surface of HDPE/BCP hybrid plates with a HaCaT cell line, which is a multipotent cell line able to differentiate towards different phenotypes under the action of biological factors, has been evaluated with in vitro studies and quantified by colormetric assays. These findings indicate that the HDPE/BCP hybrid plates are biocompatible and non-toxic

  8. Phantom-less bone mineral density (BMD) measurement using dual energy computed tomography-based 3-material decomposition

    Science.gov (United States)

    Hofmann, Philipp; Sedlmair, Martin; Krauss, Bernhard; Wichmann, Julian L.; Bauer, Ralf W.; Flohr, Thomas G.; Mahnken, Andreas H.

    2016-03-01

    Osteoporosis is a degenerative bone disease usually diagnosed at the manifestation of fragility fractures, which severely endanger the health of especially the elderly. To ensure timely therapeutic countermeasures, noninvasive and widely applicable diagnostic methods are required. Currently the primary quantifiable indicator for bone stability, bone mineral density (BMD), is obtained either by DEXA (Dual-energy X-ray absorptiometry) or qCT (quantitative CT). Both have respective advantages and disadvantages, with DEXA being considered as gold standard. For timely diagnosis of osteoporosis, another CT-based method is presented. A Dual Energy CT reconstruction workflow is being developed to evaluate BMD by evaluating lumbar spine (L1-L4) DE-CT images. The workflow is ROI-based and automated for practical use. A dual energy 3-material decomposition algorithm is used to differentiate bone from soft tissue and fat attenuation. The algorithm uses material attenuation coefficients on different beam energy levels. The bone fraction of the three different tissues is used to calculate the amount of hydroxylapatite in the trabecular bone of the corpus vertebrae inside a predefined ROI. Calibrations have been performed to obtain volumetric bone mineral density (vBMD) without having to add a calibration phantom or to use special scan protocols or hardware. Accuracy and precision are dependent on image noise and comparable to qCT images. Clinical indications are in accordance with the DEXA gold standard. The decomposition-based workflow shows bone degradation effects normally not visible on standard CT images which would induce errors in normal qCT results.

  9. Facile Fabrication of Electrically Conductive Low-Density Polyethylene/Carbon Fiber Tubes for Novel Smart Materials via Multiaxial Orientation.

    Science.gov (United States)

    Li, Yijun; Nie, Min; Wang, Qi

    2018-01-10

    Electromechanical sensors are indispensable components in functional devices and robotics application. However, the fabrication of the sensors still maintains a challenging issue that high percolation threshold and easy failure of conductive network are derived from uniaxial orientation of conductive fillers in practical melt processing. Herein, we reported a facile fabrication method to prepare a multiaxial low-density polyethylene (LDPE)/carbon fibers (CFs) tube with bidirectional controllable electrical conductivity and sensitive strain-responsive performance via rotation extrusion technology. The multidimensional helical flow is confirmed in the reverse rotation extrusion, and the CFs readily respond to the flow field leading to a multiaxial orientation in the LDPE matrix. In contrast to uniaxial LDPE/CF composites, which perform a "head to head" conjunction, multiaxial-orientated CF networks exhibit a unique multilayer structure in which the CFs with distinct orientation direction intersect in the interface, endowing the LDPE/CF composites with a low percolation threshold (15 wt %) to those of the uniaxial ones (∼35 wt %). The angles between two axes play a vital role in determining the density of the conductive networks in the interface, which is predominant in tuning the bending-responsive behaviors with a gauge factor range from 12.5 to 56.3 and the corresponding linear respond region from ∼15 to ∼1%. Such a superior performance of conductive LDPE/CF tube confirms that the design of multiaxial orientation paves a novel way to facile fabrication of advanced cost-effective CF-based smart materials, shedding light on promising applications such as smart materials and intelligent engineering monitoring.

  10. Far infrared conductivity of charge density wave materials and the oxygen isotope effect in high-Tc superconductors

    International Nuclear Information System (INIS)

    Creager, W.N.

    1991-09-01

    The far infrared reflectance and conductivity of (Ta 1-x Nb x Se 4 ) 2 I and TaS 3 have been measured to determine the origin of a huge infrared resonance that dominates the charge density wave (CDW) dynamics along with the pinned acoustic phason mode in the related materials (TaSe 4 ) 2 I and K 0. 3 MoO 3 . The measurements cover frequencies from 3 to 700cm -1 and the temperature range from 15K to 300K. In the niobium-doped alloys (Ta 1-x Nb x Se 4 ) 2 I, the size and frequency of the giant infrared mode remain nearly constant as the impurity concentration x is increased. For TaS 3 , the pinned acoustic phason near 0.5cm -1 dominates var-epsilon(ω) and an additional small mode lies near 9cm -1 . The latter mode is much smaller than the infrared mode in other CDW materials. These results rule out several models of a ''generic infrared mode'' in CDW excitations. They are compared in detail to the predictions of a recent theory attributing the infrared mode to a bound collective mode localized at impurity sites within the crystal. The transmittance of K 0.3 MoO 3 has been measured at 1.2K with a strong dc electric field applied across the crystal. Under these conditions, the charge density wave depins abruptly and carries large currents with near-zero differential resistance. For some samples, the low-frequency transmittance is enhanced slightly when the CDW depins. The magnitude of the oxygen isotope effect in the high-T c superconductor YBa 2 Cu 3 O 7 has been determined by substitution of 18 O for 16 O. A series of cross-exchanges was performed on high-quality polycrystalline specimens to eliminate uncertainties due to sample heat treatments and sample inhomogeneities

  11. Relationship between anode material, supporting electrolyte and current density during electrochemical degradation of organic compounds in water

    Energy Technology Data Exchange (ETDEWEB)

    Guzmán-Duque, Fernando L. [Grupo de diagnóstico y control de la contaminación, Facultad de ingeniería, Universidad de Antioquia, A.A. 1226, Medellín (Colombia); Palma-Goyes, Ricardo E. [Grupo de Investigación en Remediación Ambiental y Biocatálisis, Instituto de Química, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquía Udea, A.A. 1226, Medellín (Colombia); González, Ignacio [Universidad Autónoma Metropolitana-Iztapalapa, Departamento de Química, Av. San Rafael Atlixco No 186, C.P 09340, México D.F (Mexico); Peñuela, Gustavo [Grupo de diagnóstico y control de la contaminación, Facultad de ingeniería, Universidad de Antioquia, A.A. 1226, Medellín (Colombia); Torres-Palma, Ricardo A., E-mail: rtorres@matematicas.udea.edu.co [Grupo de Investigación en Remediación Ambiental y Biocatálisis, Instituto de Química, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquía Udea, A.A. 1226, Medellín (Colombia)

    2014-08-15

    Highlights: • Pathway and efficiency are linked to the current-electrode–electrolyte interaction. • Unlike BDD, IrO{sub 2} route was independent of current but dependent on the electrolyte. • IrO{sub 2}/SO{sub 4}{sup 2−} and IrO{sub 2}/Cl{sup −} routes were via IrO{sub 3} and chlorine species, respectively. • BDD/SO{sub 4}{sup 2−} and IrO{sub 2}/Cl{sup −} systems were favored at low and high currents, respectively. - Abstract: Taking crystal violet (CV) dye as pollutant model, the electrode, electrolyte and current density (i) relationship for electro-degrading organic molecules is discussed. Boron-doped diamond (BDD) or Iridium dioxide (IrO{sub 2}) used as anode materials were tested with Na{sub 2}SO{sub 4} or NaCl as electrolytes. CV degradation and generated oxidants showed that degradation pathways and efficiency are strongly linked to the current density-electrode–electrolyte interaction. With BDD, the degradation pathway depends on i: If i < the limiting current density (i{sub lim}), CV is mainly degraded by ·OH radicals, whereas if i > i{sub lim}, generated oxidants play a major role in the CV elimination. When IrO{sub 2} was used, CV removal was not dependent on i, but on the electrolyte. Pollutant degradation in Na{sub 2}SO{sub 4} on IrO{sub 2} seems to occur via IrO{sub 3}; however, in the presence of NaCl, degradation was dependent on the chlorinated oxidative species generated. In terms of efficiency, the Na{sub 2}SO{sub 4} electrolyte showed better results than NaCl when BDD anodes were employed. On the contrary, NaCl was superior when combined with IrO{sub 2}. Thus, the IrO{sub 2}/Cl{sup −} and BDD/SO{sub 4}{sup 2−} systems were better at removing the pollutant, being the former the most effective. On the other hand, pollutant degradation with the BDD/SO{sub 4}{sup 2−} and IrO{sub 2}/Cl{sup −} systems is favored at low and high current densities, respectively.

  12. Super high energy density of Li3V2(PO4)3 as cathode materials for lithium ion batteries

    Science.gov (United States)

    Noerochim, Lukman; Amin, Mochammad Karim Al; Susanti, Diah; Triwibowo, Joko

    2018-04-01

    Lithium ion batteries have many advantages such as high energy density, no memory effect, long time cycleability and friendly environment. One type of cathode material that can be developed is Li3V2(PO4)3. In this study has been carried out the synthesis of Li3V2(PO4)3 with a hydrothermal temperature variation of 140, 160 and 180 °C and calcination temperature at 800 °C. SEM images show that the morphology of Li3V2(PO4)3 has irregular flakes with a size between 1-10 µm. CV results show redox reaction occurs in the range between 3 V to 4.8 V with the highest specific discharge capacity of 136 mAh/g for specimen with temperature hydrothermal and calcination are 180 °C and 800 °C. This result demonstrates that Li3V2(PO4)3 has a great potential as cathode material for lithium ion battery.

  13. High Energy Density Materials

    National Research Council Canada - National Science Library

    Bomberger, David

    2003-01-01

    .... The reaction of nitrene equivalents such as organic azides, N-haloamines, N-acyl hydroxylamines N,O-diacyl hydroxylamines, and amides in the presence of lead tetra-acetate or phenyliodine diacetate...

  14. Preparation and flammability of high density polyethylene/paraffin/organophilic montmorillonite hybrids as a form stable phase change material

    International Nuclear Information System (INIS)

    Cai, Yibing; Hu, Yuan; Song, Lei; Kong, Qinghong; Yang, Rui; Zhang, Yinping; Chen, Zuyao; Fan, Weicheng

    2007-01-01

    A kind of form stable phase change material (PCM) based on high density polyethylene (HDPE), paraffin, organophilic montmorillonite (OMT) and intumescent flame retardant (IFR) hybrids is prepared by using a twin screw extruder technique. This kind of form stable PCM is made of paraffin as a dispersed phase change material and HDPE as a supporting material. The structure of the montmorillonite (MMT) and OMT is characterized by X-ray diffraction (XRD) and high resolution electron microscopy (HREM). The analysis indicates that the MMT is a kind of lamellar structure, and the structure does not change after organic modification. However, the structure of the hybrid is evidenced by the XRD and scanning electronic microscope (SEM). Its thermal stability, latent heat and flame retardant properties are given by the Thermogravimetry analysis (TGA), differential scanning calorimeter (DSC) method and cone calorimeter, respectively. Synergy is observed between the OMT and IFR. The XRD result indicates that the paraffin intercalates into the silicate layers of the OMT, thus forming a typically intercalated hybrid. The SEM investigation and DSC result show that the additives of OMT and IFR have hardly any effect on the HDPE/paraffin three dimensional netted structure and the latent heat. In TGA curves, although the onset of weight loss of flame-retardant form stable PCMs occur at a lower temperature than that of form stable PCM, flame-retardant form stable PCMs produce a large amount of char residue at 700 o C. The synergy between OMT and IFR leads to the decrease of the heat release rate (HRR), contributing to improvement of the flammability performance

  15. Far infrared conductivity of charge density wave materials and the oxygen isotope effect in high-T sub c superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Creager, W.N.

    1991-09-01

    The far infrared reflectance and conductivity of (Ta{sub 1-x}Nb{sub x}Se{sub 4}){sub 2}I and TaS{sub 3} have been measured to determine the origin of a huge infrared resonance that dominates the charge density wave (CDW) dynamics along with the pinned acoustic phason mode in the related materials (TaSe{sub 4}){sub 2}I and K{sub 0. 3}MoO{sub 3}. The measurements cover frequencies from 3 to 700cm{sup {minus}1} and the temperature range from 15K to 300K. In the niobium-doped alloys (Ta{sub 1-x}Nb{sub x}Se{sub 4}){sub 2}I, the size and frequency of the giant infrared mode remain nearly constant as the impurity concentration x is increased. For TaS{sub 3}, the pinned acoustic phason near 0.5cm{sup {minus}1} dominates {var epsilon}({omega}) and an additional small mode lies near 9cm{sup {minus}1}. The latter mode is much smaller than the infrared mode in other CDW materials. These results rule out several models of a generic infrared mode'' in CDW excitations. They are compared in detail to the predictions of a recent theory attributing the infrared mode to a bound collective mode localized at impurity sites within the crystal. The transmittance of K{sub 0.3}MoO{sub 3} has been measured at 1.2K with a strong dc electric field applied across the crystal. Under these conditions, the charge density wave depins abruptly and carries large currents with near-zero differential resistance. For some samples, the low-frequency transmittance is enhanced slightly when the CDW depins. The magnitude of the oxygen isotope effect in the high-{Tc} superconductor YBa{sub 2}Cu{sub 3}O{sub 7} has been determined by substitution of {sup 18}O for {sup 16}O. A series of cross-exchanges was performed on high-quality polycrystalline specimens to eliminate uncertainties due to sample heat treatments and sample inhomogeneities.

  16. Density-functional tight-binding investigation of the structure, stability and material properties of nickel hydroxide nanotubes

    Science.gov (United States)

    Jahangiri, Soran; Mosey, Nicholas J.

    2018-01-01

    Nickel hydroxide is a material composed of two-dimensional layers that can be rolled up to form cylindrical nanotubes belonging to a class of inorganic metal hydroxide nanotubes that are candidates for applications in catalysis, energy storage, and microelectronics. The stabilities and other properties of this class of inorganic nanotubes have not yet been investigated in detail. The present study uses self-consistent-charge density-functional tight-binding calculations to examine the stabilities, mechanical properties, and electronic properties of nickel hydroxide nanotubes along with the energetics associated with the adsorption of water by these systems. The tight-binding model was parametrized for this system based on the results of first-principles calculations. The stabilities of the nanotubes were examined by calculating strain energies and performing molecular dynamics simulations. The results indicate that single-walled nickel hydroxide nanotubes are stable at room temperature, which is consistent with experimental investigations. The nanotubes possess size-dependent mechanical properties that are similar in magnitude to those of other inorganic nanotubes. The electronic properties of the nanotubes were also found to be size-dependent and small nickel oxyhydroxide nanotubes are predicted to be semiconductors. Despite this size-dependence, both the mechanical and electronic properties were found to be almost independent of the helical structure of the nanotubes. The calculations also show that water molecules have higher adsorption energies when binding to the interior of the nickel hydroxide nanotubes when compared to adsorption in nanotubes formed from other two-dimensional materials such as graphene. The increased adsorption energy is due to the hydrophilic nature of nickel hydroxide. Due to the broad applications of nickel hydroxide, the nanotubes investigated here are also expected to be used in catalysis, electronics, and clean energy production.

  17. Analysis of defect structure in silicon. Effect of grain boundary density on carrier mobility in UCP material

    Science.gov (United States)

    Dunn, J.; Stringfellow, G. B.; Natesh, R.

    1982-01-01

    The relationships between hole mobility and grain boundary density were studied. Mobility was measured using the van der Pauw technique, and grain boundary density was measured using a quantitative microscopy technique. Mobility was found to decrease with increasing grain boundary density.

  18. Acquisition of an Advanced Thermal Analysis andImaging System for Integration with Interdisciplinary Researchand Education in Low Density Organic Inorganic Materials

    Science.gov (United States)

    2017-12-02

    Report: Acquisition of an Advanced Thermal Analysis and Imaging System for Integration with Interdisciplinary Research and Education in Low Density...Agreement Number: W911NF-16-1-0475 Organization: University of Texas at El Paso Title: Acquisition of an Advanced Thermal Analysis and Imaging System ...for Integration with Interdisciplinary Research and Education in Low Density Organic-Inorganic Materials Report Term: 0-Other Email: dmisra2

  19. Creation of excitations and defects in insulating materials by high-current-density electron beams of nanosecond pulse duration

    International Nuclear Information System (INIS)

    Vaisburd, D.I.; Evdokimov, K.E.

    2005-01-01

    The paper is concerned with fast and ultra-fast processes in insulating materials under the irradiation by a high-current-density electron beam of a nanosecond pulse duration. The inflation process induced by the interaction of a high-intensity electron beam with a dielectric is examined. The ''instantaneous'' distribution of non-ionizing electrons and holes is one of the most important stages of the process. Ionization-passive electrons and holes make the main contribution to many fast processes with a characteristic time in the range 10 -14 /10 -12 s: high-energy conductivity, intraband luminescence, etc. A technique was developed for calculation of the ''instantaneous'' distribution of non-ionizing electrons and holes in a dielectric prior to electron-phonon relaxation. The following experimental effects are considered: intraband luminescence, coexistence of intraband electron luminescence and band-to-band hole luminescence in CsI, high energy conductivity; generation of mechanical fields and their interaction with cracks and dislocations. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  20. Effects of increased collagen-matrix density on the mechanical properties and in vivo absorbability of hydroxyapatite-collagen composites as artificial bone materials

    Energy Technology Data Exchange (ETDEWEB)

    Yunoki, Shunji [Life Science Group, Tokyo Metropolitan Industrial Technology Research Institute, 2-11-1 Fukasawa, Setagaya-ku, Tokyo 158-0081 (Japan); Sugiura, Hiroaki; Kondo, Eiji; Yasuda, Kazunori [Department of Sports Medicine and Joint Surgery, Graduate School of Medicine, Hokkaido University, Kita-15 Nishi-7, Sapporo, Hokkaido 060-8638 Japan (Japan); Ikoma, Toshiyuki; Tanaka, Junzo, E-mail: yunoki.shunji@iri-tokyo.jp [Department of Metallurgy and Ceramics Science, 2-12-1-S7-1, Ookayama, Meguro-ku, Tokyo 152-8550 (Japan)

    2011-02-15

    The aim of this study was to evaluate the effects of increased collagen-matrix density on the mechanical properties and in vivo absorbability of porous hydroxyapatite (HAp)-collagen composites as artificial bone materials. Seven types of porous HAp-collagen composites were prepared from HAp nanocrystals and dense collagen fibrils. Their densities and HAp/collagen weight ratios ranged from 122 to 331 mg cm{sup -3} and from 20/80 to 80/20, respectively. The flexural modulus and strength increased with an increase in density, reaching 2.46 {+-} 0.48 and 0.651 {+-} 0.103 MPa, respectively. The porous composites with a higher collagen-matrix density exhibited much higher mechanical properties at the same densities, suggesting that increasing the collagen-matrix density is an effective way of improving the mechanical properties. It was also suggested that other structural factors in addition to collagen-matrix density are required to achieve bone-like mechanical properties. The in vivo absorbability of the composites was investigated in bone defects of rabbit femurs, demonstrating that the absorption rate decreased with increases in the composite density. An exhaustive increase in density is probably limited by decreases in absorbability as artificial bones.

  1. Effects of increased collagen-matrix density on the mechanical properties and in vivo absorbability of hydroxyapatite-collagen composites as artificial bone materials

    International Nuclear Information System (INIS)

    Yunoki, Shunji; Sugiura, Hiroaki; Kondo, Eiji; Yasuda, Kazunori; Ikoma, Toshiyuki; Tanaka, Junzo

    2011-01-01

    The aim of this study was to evaluate the effects of increased collagen-matrix density on the mechanical properties and in vivo absorbability of porous hydroxyapatite (HAp)-collagen composites as artificial bone materials. Seven types of porous HAp-collagen composites were prepared from HAp nanocrystals and dense collagen fibrils. Their densities and HAp/collagen weight ratios ranged from 122 to 331 mg cm -3 and from 20/80 to 80/20, respectively. The flexural modulus and strength increased with an increase in density, reaching 2.46 ± 0.48 and 0.651 ± 0.103 MPa, respectively. The porous composites with a higher collagen-matrix density exhibited much higher mechanical properties at the same densities, suggesting that increasing the collagen-matrix density is an effective way of improving the mechanical properties. It was also suggested that other structural factors in addition to collagen-matrix density are required to achieve bone-like mechanical properties. The in vivo absorbability of the composites was investigated in bone defects of rabbit femurs, demonstrating that the absorption rate decreased with increases in the composite density. An exhaustive increase in density is probably limited by decreases in absorbability as artificial bones.

  2. Bacterial-cellulose-derived carbon nanofiber@MnO₂ and nitrogen-doped carbon nanofiber electrode materials: an asymmetric supercapacitor with high energy and power density.

    Science.gov (United States)

    Chen, Li-Feng; Huang, Zhi-Hong; Liang, Hai-Wei; Guan, Qing-Fang; Yu, Shu-Hong

    2013-09-14

    A new kind of high-performance asymmetric supercapacitor is designed with pyrolyzed bacterial cellulose (p-BC)-coated MnO₂ as a positive electrode material and nitrogen-doped p-BC as a negative electrode material via an easy, efficient, large-scale, and green fabrication approach. The optimal asymmetric device possesses an excellent supercapacitive behavior with quite high energy and power density. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Si clusters/defective graphene composites as Li-ion batteries anode materials: A density functional study

    International Nuclear Information System (INIS)

    Li, Meng; Liu, Yue-Jie; Zhao, Jing-xiang; Wang, Xiao-guang

    2015-01-01

    Highlights: • We study the interaction between Si clusters with pristine and defective graphene. • We find that the binding strength of Si clusters on graphene can be enhanced to different degrees after introducing various defects. • It is found that both graphene and Si cluster in the Si/graphene composites can preserve their Li uptake ability. - Abstract: Recently, the Si/graphene hybrid composites have attracted considerable attention due to their potential application for Li-ion batteries. How to effectively anchor Si clusters to graphene substrates to ensure their stability is an important factor to determine their performance for Li-ion batteries. In the present work, we have performed comprehensive density functional theory (DFT) calculations to investigate the geometric structures, stability, and electronic properties of the deposited Si clusters on defective graphenes as well as their potential applications for Li-ion batteries. The results indicate that the interfacial bonding between these Si clusters with the pristine graphene is quietly weak with a small adsorption energy (<−0.21 eV). Due to the presence of vacancy site, the binding strength of Si clusters on defective graphene is much stronger than that of pristine one, accompanying with a certain amount of charge transfer from Si clusters to graphene substrates. Moreover, the ability of Si/graphene hybrids for Li uptake is studied by calculating the adsorption of Li atoms. We find that both graphenes and Si clusters in the Si/graphene composites preserve their Li uptake ability, indicating that graphenes not only server as buffer materials for accommodating the expansion of Si cluster, but also provide additional intercalation sites for Li

  4. Nitrogen-doped carbon spheres: A new high-energy-density and long-life pseudo-capacitive electrode material for electrochemical flow capacitor.

    Science.gov (United States)

    Hou, Shujin; Wang, Miao; Xu, Xingtao; Li, Yandong; Li, Yanjiang; Lu, Ting; Pan, Likun

    2017-04-01

    One of the most challenging issues in developing electrochemical flow capacitor (EFC) technology is the design and synthesis of active electrode materials with high energy density and long cycle life. However, in practical cases, the energy density and cycle ability obtained currently cannot meet the practical need. In this work, we propose a new active material, nitrogen-doped carbon spheres (NCSs), as flowable electrodes for EFC application. The NCSs were prepared via one-pot hydrothermal synthesis in the presence of resorcinol/formaldehyde as carbon precursors and melamine as nitrogen precursor, followed by carbonization in nitrogen flow at various temperatures. The results of EFC experiments demonstrate that NCSs obtained at 800°C exhibit a high energy density of 13.5Whkg -1 and an excellent cycle ability, indicating the superiority of NCSs for EFC application. Copyright © 2016 Elsevier Inc. All rights reserved.

  5. A material-sparing method for simultaneous determination of true density and powder compaction properties--aspartame as an example.

    Science.gov (United States)

    Sun, Changquan Calvin

    2006-12-01

    True density results for a batch of commercial aspartame are highly variable when helium pycnometry is used. Alternatively, the true density of the problematic aspartame lot was obtained by fitting tablet density versus pressure data. The fitted true density was in excellent agreement with that predicted from single crystal structure. Tablet porosity was calculated from the true density and tablet apparent density. After making the necessary measurements for calculating tablet apparent density, the breaking force of each intact tablet was measured and tensile strength was calculated. With the knowledge of compaction pressure, tablet porosity and tensile strength, powder compaction properties were characterized using tabletability (tensile strength versus pressure), compactibility (tensile strength versus porosity), compressibility (porosity versus pressure) and Heckel analysis. Thus, a wealth of additional information on the compaction properties of the powder was obtained through little added work. A total of approximately 4 g of powder was used in this study. Depending on the size of tablet tooling, tablet thickness and true density, 2-10 g of powder would be sufficient for characterizing most pharmaceutical powders.

  6. Effects of high density dispersion fuel loading on the kinetic parameters of a low enriched uranium fueled material test research reactor

    Energy Technology Data Exchange (ETDEWEB)

    Muhammad, Farhan [Department of Nuclear Engineering, Pakistan Institute of Engineering and Applied Sciences, P.O. Nilore, Islamabad 45650 (Pakistan)], E-mail: mfarhan_73@yahoo.co.uk; Majid, Asad [Department of Nuclear Engineering, Pakistan Institute of Engineering and Applied Sciences, P.O. Nilore, Islamabad 45650 (Pakistan)

    2008-09-15

    The effects of using high density low enriched uranium on the neutronic parameters of a material test research reactor were studied. For this purpose, the low density LEU fuel of an MTR was replaced with high density LEU fuels currently being developed under the RERTR program. Since the alloying elements have different cross-sections affecting the reactor in different ways, therefore fuels U-Mo (9 w/o) which contain the same elements in same ratio were selected for analysis. Simulations were carried out to calculate core excess reactivity, neutron flux spectrum, prompt neutron generation time, effective delayed neutron fraction and feedback coefficients including Doppler feedback coefficient, and reactivity coefficients for change of water density and temperature. Nuclear reactor analysis codes including WIMS-D4 and CITATION were employed to carry out these calculations. It is observed that the excess reactivity at the beginning of life does not increase as the uranium density of fuel. Both the prompt neutron generation time and the effective delayed neutron fraction decrease as the uranium density increases. The absolute value of Doppler feedback coefficient increases while the absolute values of reactivity coefficients for change of water density and temperature decrease.

  7. Effects of high density dispersion fuel loading on the kinetic parameters of a low enriched uranium fueled material test research reactor

    International Nuclear Information System (INIS)

    Muhammad, Farhan; Majid, Asad

    2008-01-01

    The effects of using high density low enriched uranium on the neutronic parameters of a material test research reactor were studied. For this purpose, the low density LEU fuel of an MTR was replaced with high density LEU fuels currently being developed under the RERTR program. Since the alloying elements have different cross-sections affecting the reactor in different ways, therefore fuels U-Mo (9 w/o) which contain the same elements in same ratio were selected for analysis. Simulations were carried out to calculate core excess reactivity, neutron flux spectrum, prompt neutron generation time, effective delayed neutron fraction and feedback coefficients including Doppler feedback coefficient, and reactivity coefficients for change of water density and temperature. Nuclear reactor analysis codes including WIMS-D4 and CITATION were employed to carry out these calculations. It is observed that the excess reactivity at the beginning of life does not increase as the uranium density of fuel. Both the prompt neutron generation time and the effective delayed neutron fraction decrease as the uranium density increases. The absolute value of Doppler feedback coefficient increases while the absolute values of reactivity coefficients for change of water density and temperature decrease

  8. In situ electrochemical creation of cobalt oxide nanosheets with favorable performance as a high tap density anode material for lithium-ion batteries

    International Nuclear Information System (INIS)

    Lin, Qian; Sha, Yujing; Zhao, Bote; Chen, Yubo; Tadé, Moses O.; Shao, Zongping

    2015-01-01

    Highlights: • Cobalt oxide nanosheets in situ electrochemical generated from commercial LiCoO_2. • TEM indicates creation of cobalt oxide nanosheets from coarse layered LiCoO_2_. • Coarse-type LiCoO_2 with high tap density shows promising anode performance. • Optimizing weight ratio of LiCoO_2 in electrode, a high capacity was achieved. - Abstract: Cobalt oxides are attractive alternative anode materials for next-generation lithium-ion batteries (LIBs). To improve the performance of conversion-type anode materials such as cobalt oxides, well dispersed and nanosized particulate morphology is typically required. In this study, we describe the in situ electrochemical generation of cobalt oxide nanosheets from commercial micrometer-sized LiCoO_2 oxide as an anode material for LIBs. The electrode material as prepared was analyzed by XRD, FE-SEM and TEM. The electrochemical properties were investigated by cyclic voltammetry and by a constant current galvanostatic discharge–charge test. The material shows a high tap density and promising anode performance in terms of capacity, rate performance and cycling stability. A capacity of 560 mA h g"−"1 is still achieved at a current density of 1000 mA g"−"1 by increasing the amount of additives in the electrode to 40 wt%. This paper provides a new technique for developing a high-performance conversion-type anode for LIBs.

  9. Synthesis and characterization of high-density LiFePO4/C composites as cathode materials for lithium-ion batteries

    International Nuclear Information System (INIS)

    Chang Zhaorong; Lv Haojie; Tang Hongwei; Li Huaji; Yuan Xiaozi; Wang Haijiang

    2009-01-01

    To achieve a high-energy-density lithium electrode, high-density LiFePO 4 /C composite cathode material for a lithium-ion battery was synthesized using self-produced high-density FePO 4 as a precursor, glucose as a C source, and Li 2 CO 3 as a Li source, in a pipe furnace under an atmosphere of 5% H 2 -95% N 2 . The structure of the synthesized material was analyzed and characterized by X-ray diffraction (XRD) and scanning electron microscope (SEM). The electrochemical properties of the synthesized LiFePO 4 /carbon composite were investigated by cyclic voltammetry (CV) and the charge/discharge process. The tap-density of the synthesized LiFePO 4 /carbon composite powder with a carbon content of 7% reached 1.80 g m -3 . The charge/discharge tests show that the cathode material has initial charge/discharge capacities of 190.5 and 167.0 mAh g -1 , respectively, with a volume capacity of 300.6 mAh cm -3 , at a 0.1C rate. At a rate of 5C, the LiFePO 4 /carbon composite shows a high discharge capacity of 98.3 mAh g -1 and a volume capacity of 176.94 mAh cm -3 .

  10. Nanoscale measurement of Nernst effect in two-dimensional charge density wave material 1T-TaS2

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Stephen M. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Department of Electrical and Computer Engineering, University of Rochester, Rochester, New York 14627, USA; Luican-Mayer, Adina [Nanoscience and Technology Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Department of Physics, University of Ottawa, Ottawa, Ontario K1N 6N5, Canada; Bhattacharya, Anand [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Nanoscience and Technology Division, Argonne National Laboratory, Argonne, Illinois 60439, USA

    2017-11-27

    Advances in nanoscale material characterization on two-dimensional van der Waals layered materials primarily involve their optical and electronic properties. The thermal properties of these materials are harder to access due to the difficulty of thermal measurements at the nanoscale. In this work, we create a nanoscale magnetothermal device platform to access the basic out-of-plane magnetothermal transport properties of ultrathin van der Waals materials. Specifically, the Nernst effect in the charge density wave transition metal dichalcogenide 1T-TaS2 is examined on nano-thin flakes in a patterned device structure. It is revealed that near the commensurate charge density wave (CCDW) to nearly commensurate charge density wave (NCCDW) phase transition, the polarity of the Nernst effect changes. Since the Nernst effect is especially sensitive to changes in the Fermi surface, this suggests that large changes are occurring in the out-of-plane electronic structure of 1T-TaS2, which are otherwise unresolved in just in-plane electronic transport measurements. This may signal a coherent evolution of out-of-plane stacking in the CCDW! NCCDW transition.

  11. Structure factor of blends of solvent-free nanoparticle–organic hybrid materials: density-functional theory and small angle X-ray scattering

    KAUST Repository

    Yu, Hsiu-Yu

    2014-09-15

    © the Partner Organisations 2014. We investigate the static structure factor S(q) of solvent-free nanoparticle-organic hybrid materials consisting of silica nanocores and space-filling polyethylene glycol coronas using a density-functional theory and small angle X-ray scattering measurements. The theory considers a bidisperse suspension of hard spheres with different radii and tethered bead-spring oligomers with different grafting densities to approximate the polydispersity effects in experiments. The experimental systems studied include pure samples with different silica core volume fractions and the associated mean corona grafting densities, and blends with different mixing ratios of the pure samples, in order to introduce varying polydispersity of corona grafting density. Our scattering experiments and theory show that, compared to the hard-sphere suspension with the same core volume fraction, S(q) for pure samples exhibit both substantially smaller values at small q and stronger particle correlations corresponding to a larger effective hard core at large q, indicating that the tethered incompressible oligomers enforce a more uniform particle distribution, and the densely grafted brush gives rise to an additional exclusionary effect between the nanoparticles. According to the theory, polydispersity in the oligomer grafting density controls the deviation of S(q) from the monodisperse system at smaller q, and the interplay of the enhanced effective core size and the entropic attraction among the particles is responsible for complex variations in the particle correlations at larger q. The successful comparison between the predictions and the measurements for the blends further suggests that S(q) can be used to assess the uniformity of grafting density in polymer-grafted nanoparticle materials. This journal is

  12. Structure factor of blends of solvent-free nanoparticle-organic hybrid materials: density-functional theory and small angle X-ray scattering.

    Science.gov (United States)

    Yu, Hsiu-Yu; Srivastava, Samanvaya; Archer, Lynden A; Koch, Donald L

    2014-12-07

    We investigate the static structure factor S(q) of solvent-free nanoparticle-organic hybrid materials consisting of silica nanocores and space-filling polyethylene glycol coronas using a density-functional theory and small angle X-ray scattering measurements. The theory considers a bidisperse suspension of hard spheres with different radii and tethered bead-spring oligomers with different grafting densities to approximate the polydispersity effects in experiments. The experimental systems studied include pure samples with different silica core volume fractions and the associated mean corona grafting densities, and blends with different mixing ratios of the pure samples, in order to introduce varying polydispersity of corona grafting density. Our scattering experiments and theory show that, compared to the hard-sphere suspension with the same core volume fraction, S(q) for pure samples exhibit both substantially smaller values at small q and stronger particle correlations corresponding to a larger effective hard core at large q, indicating that the tethered incompressible oligomers enforce a more uniform particle distribution, and the densely grafted brush gives rise to an additional exclusionary effect between the nanoparticles. According to the theory, polydispersity in the oligomer grafting density controls the deviation of S(q) from the monodisperse system at smaller q, and the interplay of the enhanced effective core size and the entropic attraction among the particles is responsible for complex variations in the particle correlations at larger q. The successful comparison between the predictions and the measurements for the blends further suggests that S(q) can be used to assess the uniformity of grafting density in polymer-grafted nanoparticle materials.

  13. On the effective atomic number and electron density: A comprehensive set of formulas for all types of materials and energies above 1 keV

    DEFF Research Database (Denmark)

    Manohara, S.R.; Hanagodimath, S.M.; Thind, K.S.

    2008-01-01

    A comprehensive and consistent set of formulas is given for calculating the effective atomic number and electron density for all types of materials and for all photon energies greater than 1 keV. The are derived from first principles using photon interaction cross sections of the constituent atom....... The theory is illustrated by calculations and experiments for molecules of medical and biological interest, glasses for radiation shielding, alloys, minerals and liquids....

  14. A Quantitative Study on Packing Density and Pozzolanic Activity of Cementitious Materials Based on the Compaction Packing Model

    International Nuclear Information System (INIS)

    Gong, Jianqing; Chou, Kai; Huang, Zheng Yu; Zhao, Minghua

    2014-01-01

    A brief introduction to the theoretical basis of compaction packing model (CPM) and an over-view of the principle of the specific strength method provided the starting point of this study. Then, research on quantitative relations was carried out to find the correlation between the contribution rate of the pozzolanic activity and the contribution value of packing density when CPM was applied to fine powder mixture systems. The concept of the contribution value of the packing density being in direct correspondence with the contribution rate was proved by the compressive strength results and SEM images. The results indicated that the variation rule of the contribution rate of the pozzolanic activity is similar to that of the contribution value of packing density as calculated by CPM. This means the contribution value of the packing density could approximately simulate the change tendency of the contribution rate of the pozzolanic activity, which is of significant value for the future of mix designs for high and ultra-high performance concrete

  15. Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

    DEFF Research Database (Denmark)

    Hummelshøj, Jens Strabo; Landis, David; Voss, Johannes

    2009-01-01

    We present a computational screening study of ternary metal borohydrides for reversible hydrogen storage based on density functional theory. We investigate the stability and decomposition of alloys containing 1 alkali metal atom, Li, Na, or K (M1); and 1 alkali, alkaline earth or 3d/4d transition...

  16. Reactivity feedback coefficients of a material test research reactor fueled with high-density U{sub 3}Si{sub 2} dispersion fuels

    Energy Technology Data Exchange (ETDEWEB)

    Muhammad, Farhan [Department of Nuclear Engineering, Pakistan Institute of Engineering and Applied Sciences, Nilore, Islamabad 45650 (Pakistan)], E-mail: farhan73@hotmail.com; Majid, Asad [Department of Nuclear Engineering, Pakistan Institute of Engineering and Applied Sciences, Nilore, Islamabad 45650 (Pakistan)

    2008-10-15

    The reactivity feedback coefficients of a material test research reactor fueled with high-density U{sub 3}Si{sub 2} dispersion fuels were calculated. For this purpose, the low-density LEU fuel of an MTR was replaced with high-density U{sub 3}Si{sub 2} LEU fuels currently being developed under the RERTR program. Calculations were carried out to find the fuel temperature reactivity coefficient, moderator temperature reactivity coefficient and moderator density reactivity coefficient. Nuclear reactor analysis codes including WIMS-D4 and CITATION were employed to carry out these calculations. It is observed that the average values of fuel temperature reactivity feedback coefficient, moderator temperature reactivity coefficient and moderator density reactivity coefficient from 20 deg. C to 100 deg. C, at the beginning of life, followed the relationships (in units of {delta}k/k x 10{sup -5} K{sup -1}) -2.116 - 0.118 {rho}{sub U}, 0.713 - 37.309/{rho}{sub U} and -12.765 - 34.309/{rho}{sub U}, respectively for 4.0 {<=} {rho}{sub U} (g/cm{sup 3}) {<=} 6.0.

  17. Modelling multiple cycles of static and dynamic recrystallisation using a fully implicit isotropic material model based on dislocation density

    Science.gov (United States)

    Jansen van Rensburg, Gerhardus J.; Kok, Schalk; Wilke, Daniel N.

    2018-03-01

    This paper presents the development and numerical implementation of a state variable based thermomechanical material model, intended for use within a fully implicit finite element formulation. Plastic hardening, thermal recovery and multiple cycles of recrystallisation can be tracked for single peak as well as multiple peak recrystallisation response. The numerical implementation of the state variable model extends on a J2 isotropic hypo-elastoplastic modelling framework. The complete numerical implementation is presented as an Abaqus UMAT and linked subroutines. Implementation is discussed with detailed explanation of the derivation and use of various sensitivities, internal state variable management and multiple recrystallisation cycle contributions. A flow chart explaining the proposed numerical implementation is provided as well as verification on the convergence of the material subroutine. The material model is characterised using two high temperature data sets for cobalt and copper. The results of finite element analyses using the material parameter values characterised on the copper data set are also presented.

  18. Flammability of radiation cross-linked low density polyethylene as an insulating material for wire and cable

    International Nuclear Information System (INIS)

    Basfar, A.A.

    2002-01-01

    Various formulations of low-density polyethylene blended with ethylene vinyl acetate were prepared to improve the flame retardancy for wire and cable applications. The prepared formulations were cross-linked by γ-rays to 50, 100, 150 and 200 kGy in the presence of trimethylolpropane triacrylate (TMPTA). The effect of thermal aging on mechanical properties of these formulations were investigated. In addition, the influence of various combinations of aluminum trihydroxide and zinc borate as flame retardant fillers on the flammability was explored. Limiting oxygen index (LOI) and average extent of burning were used to characterize the flammability of investigated formulations. An improved flame retardancy of low density polyethylene was achieved by various combinations of flame ratardant fillers and cross-linking by gamma radiation

  19. Feasibility Study to Evaluate Candidate Materials of Nanofilled Block Copolymers for Use in Ultra High Density Pulsed Power Capacitors

    Science.gov (United States)

    2015-10-26

    capacitor films showing the first-ever application of self-assembling BCPs as the nanostructured dielectric media in electrostatic capacitors . Using... dielectric media in electrostatic capacitors . Using controlled ordering of lamellae- forming BCPs via our cold zone annealing soft-shear (CZA-SS...fast energy storage and discharge capabilities. However, the energy storage density of these capacitors is limited by the dielectric properties of

  20. Synthesis and characterization of high-density LiFePO{sub 4}/C composites as cathode materials for lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Chang Zhaorong [College of Chemistry and Environmental Science, Henan Normal University, Xinxiang 453007 (China)], E-mail: czr_56@163.com; Lv Haojie; Tang Hongwei; Li Huaji [College of Chemistry and Environmental Science, Henan Normal University, Xinxiang 453007 (China); Yuan Xiaozi; Wang Haijiang [Institute for Fuel Cell Innovation, National Research Council of Canada, Vancouver, BC, V6T 1W5 (Canada)

    2009-08-01

    To achieve a high-energy-density lithium electrode, high-density LiFePO{sub 4}/C composite cathode material for a lithium-ion battery was synthesized using self-produced high-density FePO{sub 4} as a precursor, glucose as a C source, and Li{sub 2}CO{sub 3} as a Li source, in a pipe furnace under an atmosphere of 5% H{sub 2}-95% N{sub 2}. The structure of the synthesized material was analyzed and characterized by X-ray diffraction (XRD) and scanning electron microscope (SEM). The electrochemical properties of the synthesized LiFePO{sub 4}/carbon composite were investigated by cyclic voltammetry (CV) and the charge/discharge process. The tap-density of the synthesized LiFePO{sub 4}/carbon composite powder with a carbon content of 7% reached 1.80 g m{sup -3}. The charge/discharge tests show that the cathode material has initial charge/discharge capacities of 190.5 and 167.0 mAh g{sup -1}, respectively, with a volume capacity of 300.6 mAh cm{sup -3}, at a 0.1C rate. At a rate of 5C, the LiFePO{sub 4}/carbon composite shows a high discharge capacity of 98.3 mAh g{sup -1} and a volume capacity of 176.94 mAh cm{sup -3}.

  1. An analysis of the impact of native oxide, surface contamination and material density on total electron yield in the absence of surface charging effects

    Energy Technology Data Exchange (ETDEWEB)

    Iida, Susumu, E-mail: susumu.iida@toshiba.co.jp [EUVL Infrastructure Development Center, Inc., 16-1 Onogawa, Tsukuba-shi, Ibaraki-ken, 305-8569 (Japan); Ohya, Kaoru [Institute of Technology and Science, The University of Tokushima, 2-1 Minamijyousanjima-cho,Tokushima, 770-8506 (Japan); Hirano, Ryoichi; Watanabe, Hidehiro [EUVL Infrastructure Development Center, Inc., 16-1 Onogawa, Tsukuba-shi, Ibaraki-ken, 305-8569 (Japan)

    2016-10-30

    Highlights: • Total electron yields were assessed in the absence of any surface charging effect. • Experimental and simulation results showed a low native oxide energy barrier. • The yield enhancement effect of a native oxide layer was confirmed. • The yield enhancement effect of a thin surface contamination layer was confirmed. • Deviations in the material density from the theoretical values were evaluated. - Abstract: The effects of the presence of a native oxide film or surface contamination as well as variations in material density on the total electron yield (TEY) of Ru and B{sub 4}C were assessed in the absence of any surface charging effect. The experimental results were analyzed using semi-empirical Monte Carlo simulations and demonstrated that a native oxide film increased the TEY, and that this effect varied with film thickness. These phenomena were explained based on the effect of the backscattered electrons (BSEs) at the interface between Ru and RuO{sub 2}, as well as the lower potential barrier of RuO{sub 2}. Deviations in the material density from the theoretical values were attributed to the film deposition procedure based on fitting simulated TEY curves to experimental results. In the case of B{sub 4}C, the TEY was enhanced by the presence of a 0.8-nm-thick surface contamination film consisting of oxygenated hydrocarbons. The effect of the low potential barrier of the contamination film was found to be significant, as the density of the B{sub 4}C was much lower than that of the Ru. Comparing the simulation parameters generated in the present work with Joy’s database, it was found that the model and the input parameters used in the simulations were sufficiently accurate.

  2. Effects of high density dispersion fuel loading on the uncontrolled reactivity insertion transients of a low enriched uranium fueled material test research reactor

    Energy Technology Data Exchange (ETDEWEB)

    Muhammad, Farhan [Department of Nuclear Engineering, Pakistan Institute of Engineering and Applied Sciences, Nilore, Islamabad 45650 (Pakistan)], E-mail: farhan73@hotmail.com; Majid, Asad [Department of Nuclear Engineering, Pakistan Institute of Engineering and Applied Sciences, Nilore, Islamabad 45650 (Pakistan)

    2009-08-15

    The effects of using high density low enriched uranium on the uncontrolled reactivity insertion transients of a material test research reactor were studied. For this purpose, the low density LEU fuel of an MTR was replaced with high density U-Mo (9w/o) LEU fuels currently being developed under the RERTR program having uranium densities of 6.57 gU/cm{sup 3}, 7.74 gU/cm{sup 3} and 8.57 gU/cm{sup 3}. Simulations were carried out to determine the reactor performance under reactivity insertion transients with totally failed control rods. Ramp reactivities of 0.25$/0.5 s and 1.35$/0.5 s were inserted with reactor operating at full power level of 10 MW. Nuclear reactor analysis code PARET was employed to carry out these calculations. It was observed that when reactivity insertion was 0.25$/0.5 s, the new power level attained increased by 5.8% as uranium density increases from 6.57 gU/cm{sup 3} to 8.90 gU/cm{sup 3}. This results in increased maximum temperatures of fuel, clad and coolant outlet, achieved at the new power level, by 4.7 K, 4.4 K and 2.4 K, respectively. When reactivity insertion was 1.35$/0.5 s, the feedback reactivities were unable to control the reactor which resulted in the bulk boiling of the coolant; the one with the highest fuel density was the first to reach the boiling point.

  3. Effects of Ceramic Density and Sintering Temperature on the Mechanical Properties of a Novel Polymer-Infiltrated Ceramic-Network Zirconia Dental Restorative (Filling) Material.

    Science.gov (United States)

    Li, Weiyan; Sun, Jian

    2018-05-10

    BACKGROUND Polymer-infiltrated ceramic-network (PICN) dental material is a new and practical development in orthodontics. Sintering is the process of forming a stable solid mass from a powder by heating without melting. The aim of this study was to evaluate the effects of sintering temperature on the mechanical properties of a PICN zirconia dental material. MATERIAL AND METHODS A dense zirconia ceramic and four PICN zirconia dental materials, with varying porosities, were sintered at three different temperatures; 12 PICN zirconia dental materials based on these porous ceramics were prepared, as well as a pure polymer. After the specimen preparation, flexural strength and elastic modulus values were measured using the three-point bending test, and fracture toughness were determined by the single-edge notched beam (SENB) method. The Vickers hardness test method was used with an indentation strength (IS) test. Scanning electron microscopy (SEM) was used to examine the microstructure of the ceramic surface and the fracture surface. RESULTS Mechanical properties of the PICN dental materials, including flexural strength, elastic modulus, fracture toughness, and hardness, were more similar to the properties of natural teeth when compared with traditional dental ceramic materials, and were affected by the density and sintering temperature. SEM showed that the porous ceramic network became cohesive and that the length of cracks in the PICN dental material was reduced. CONCLUSIONS PICN zirconia dental materials were characterized by similar mechanical properties to natural dental tissues, but further studies are required continue to improve the similarities with natural human enamel and dentin.

  4. Development and characterization of high temperature, high energy density dielectric materials to establish routes towards power electronics capacitive devices

    Science.gov (United States)

    Shay, Dennis P.

    The maximum electrostatic energy density of a capacitor is a function of the relative permittivity (epsilonr) and the square of the dielectric breakdown strength (Eb). Currently, state-of-the art high temperature (>200 °C), SiC-based power electronics utilize CaZrO3-rich NP0/C0G-type capacitors, which have low relative permittivities of epsilonr ˜ 30-40, high breakdown strengths (> 1.0 MV/cm), and are chosen for their minimal change in energy storage with temperature. However, with operating temperatures exceeding the rated temperatures for such capacitors, there is an opportunity to develop new dielectric ceramics having higher energy densities and volumetric efficiencies at high temperatures (>200 °C) by utilizing higher permittivity dielectrics while maintaining high breakdown strengths via doping. The solid solution behavior of was characterized in order to determine the optimal composition for balancing permittivity and dielectric breakdown strength to obtain high energy densities at elevated temperatures. Characterization by X-ray diffraction (XRD) showed Vegard's law behavior across the solid solution with minimal 2nd phases. To determine a Ca(TixZr1-x)O3 composition that will also minimize electronic or band conduction, the optical properties of the Ca(TixZr1-x)O3 solid solution were investigated to identify a composition on the CaTiO3 - rich end of the solid solution with a large band gap. Both ultraviolet-visible diffuse reflectance spectroscopy (UV-Vis) and spectroscopic ellipsometry were utilized to determine the Ca(TixZr1-x)O3 band gaps and optical properties. The resistivity at 250 °C scaled with the band gap energy across the solid solution. Comparing the current-voltage (I--V) behavior at 250 °C for Ca(Tix-yMnyZr0.2)O3 (CTZ + Mn) where x = 0.7, 0.8, 0.9, and y = 0.005, it was found that the Ca(Ti 0.795Mn0.005Zr0.2)O3 composition showed the lowest current density and a decrease in current density of 5 orders of magnitude compared to the un

  5. Scanning-tunneling microscope imaging of single-electron solitons in a material with incommensurate charge-density waves.

    Science.gov (United States)

    Brazovskii, Serguei; Brun, Christophe; Wang, Zhao-Zhong; Monceau, Pierre

    2012-03-02

    We report on scanning-tunneling microscopy experiments in a charge-density wave (CDW) system allowing visually capturing and studying in detail the individual solitons corresponding to the self-trapping of just one electron. This "Amplitude Soliton" is marked by vanishing of the CDW amplitude and by the π shift of its phase. It might be the realization of the spinon--the long-sought particle (along with the holon) in the study of science of strongly correlated electronic systems. As a distinct feature we also observe one-dimensional Friedel oscillations superimposed on the CDW which develop independently of solitons.

  6. Characterization and electrochemical properties of high tap-density LiFePO4/C cathode materials by a combination of carbothermal reduction and molten salt methods

    International Nuclear Information System (INIS)

    Fey, George Ting-Kuo; Lin, Yi-Chuan; Kao, Hsien-Ming

    2012-01-01

    Olivine-structured LiFePO 4 cathode materials were prepared via a combination of carbothermal reduction (CR) and molten salt (MS) methods. To enhance the powder's tap density, the LiFePO 4 /C composite was pressed into pellets and then sintered for at least 1 h at 1028 K in the reaction environment of KCl molten salts. The use of molten salt can effectively influence unit cell volume, morphology and tap density of particles, and consequently change the electrochemical performance of LiFePO 4 /C. The composites were characterized in detail by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), dynamic light scattering (DLS), Raman spectroscopy and tap density testing. The final product with high tap density of 1.50 g cm −3 contains 4.58 wt% carbon and exhibits good discharge capacity of 141 mAh g −1 at a 0.2 C-rate in the potential range of 2.8–4.0 V.

  7. Perovskite SrCo0.9 Nb0.1 O3-δ as an Anion-Intercalated Electrode Material for Supercapacitors with Ultrahigh Volumetric Energy Density.

    Science.gov (United States)

    Zhu, Liang; Liu, Yu; Su, Chao; Zhou, Wei; Liu, Meilin; Shao, Zongping

    2016-08-08

    We have synthesized and characterized perovskite-type SrCo0.9 Nb0.1 O3-δ (SCN) as a novel anion-intercalated electrode material for supercapacitors in an aqueous KOH electrolyte, demonstrating a very high volumetric capacitance of about 2034.6 F cm(-3) (and gravimetric capacitance of ca. 773.6 F g(-1) ) at a current density of 0.5 A g(-1) while maintaining excellent cycling stability with a capacity retention of 95.7 % after 3000 cycles. When coupled with an activated carbon (AC) electrode, the SCN/AC asymmetric supercapacitor delivered a specific energy density as high as 37.6 Wh kg(-1) with robust long-term stability. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Are trinuclear superhalogens promising candidates for building blocks of novel magnetic materials? A theoretical prospect from combined broken-symmetry density functional theory and ab initio study.

    Science.gov (United States)

    Yu, Yang; Li, Chen; Yin, Bing; Li, Jian-Li; Huang, Yuan-He; Wen, Zhen-Yi; Jiang, Zhen-Yi

    2013-08-07

    The structures, relative stabilities, vertical electron detachment energies, and magnetic properties of a series of trinuclear clusters are explored via combined broken-symmetry density functional theory and ab initio study. Several exchange-correlation functionals are utilized to investigate the effects of different halogen elements and central atoms on the properties of the clusters. These clusters are shown to possess stronger superhalogen properties than previously reported dinuclear superhalogens. The calculated exchange coupling constants indicate the antiferromagnetic coupling between the transition metal ions. Spin density analysis demonstrates the importance of spin delocalization in determining the strengths of various couplings. Spin frustration is shown to occur in some of the trinuclear superhalogens. The coexistence of strong superhalogen properties and spin frustration implies the possibility of trinuclear superhalogens working as the building block of new materials of novel magnetic properties.

  9. Methods of calculation and determination of density and moisture of inhomogeneous materials within capacity of limited dimensions

    International Nuclear Information System (INIS)

    Mukanov, D.M.

    1996-01-01

    Both a definition of optimal sizes and an opinion about representation of assay present practical interest during process of physical characteristics calculation of inhomogeneous materials by neutron method. The opinion about calculation sphere is introduced for definition of necessary dependences. It presents limited by convex surface with center coinciding with center of initial measuring transformer. Sizes of calculation sphere have been defined by physical process character of neutral radiation interaction with measured substance and its nuclear-physical parameters. 3 figs

  10. Large-scale atomistic simulations of nanostructured materials based on divide-and-conquer density functional theory

    Directory of Open Access Journals (Sweden)

    Vashishta P.

    2011-05-01

    Full Text Available A linear-scaling algorithm based on a divide-and-conquer (DC scheme is designed to perform large-scale molecular-dynamics simulations, in which interatomic forces are computed quantum mechanically in the framework of the density functional theory (DFT. This scheme is applied to the thermite reaction at an Al/Fe2O3 interface. It is found that mass diffusion and reaction rate at the interface are enhanced by a concerted metal-oxygen flip mechanism. Preliminary simulations are carried out for an aluminum particle in water based on the conventional DFT, as a target system for large-scale DC-DFT simulations. A pair of Lewis acid and base sites on the aluminum surface preferentially catalyzes hydrogen production in a low activation-barrier mechanism found in the simulations

  11. Dynamic impact response of high-density square honeycombs made of TRIP steel and TRIP matrix composite material

    Directory of Open Access Journals (Sweden)

    Weigelt C.

    2012-08-01

    Full Text Available Two designs of square-celled metallic honeycomb structures fabricated by a modified extrusion technology based on a powder feedstock were investigated. The strength and ductility of these cellular materials are achieved by an austenitic CrNi (AISI 304 steel matrix particle reinforced by an MgO partially-stabilized zirconia building up their cell wall microstructure. Similar to the mechanical behaviour of the bulk materials, the strengthening mechanism and the martensitic phase transformations in the cell walls are affected by the deformation temperature and the nominal strain rate. The microstructure evolution during quasi-static and dynamic impact compression up to high strain rates of 103 1/s influences the buckling and failure behaviour of the honeycomb structures. In contrast to bending-dominated quasi-isotropic networks like open-celled metal foams, axial compressive loading to the honeycomb’s channels causes membrane stretching as well as crushing of the vertical cell node elements and cell walls. The presented honeycomb materials differ geometrically in their cell wall thickness-to-cell size-ratio. Therefore, the failure behaviour is predominantly controlled by global buckling and torsional-flexural buckling, respectively, accompanied by plastic matrix flow and strengthening of the cell wall microstructure.

  12. Materialism.

    Science.gov (United States)

    Melnyk, Andrew

    2012-05-01

    Materialism is nearly universally assumed by cognitive scientists. Intuitively, materialism says that a person's mental states are nothing over and above his or her material states, while dualism denies this. Philosophers have introduced concepts (e.g., realization and supervenience) to assist in formulating the theses of materialism and dualism with more precision, and distinguished among importantly different versions of each view (e.g., eliminative materialism, substance dualism, and emergentism). They have also clarified the logic of arguments that use empirical findings to support materialism. Finally, they have devised various objections to materialism, objections that therefore serve also as arguments for dualism. These objections typically center around two features of mental states that materialism has had trouble in accommodating. The first feature is intentionality, the property of representing, or being about, objects, properties, and states of affairs external to the mental states. The second feature is phenomenal consciousness, the property possessed by many mental states of there being something it is like for the subject of the mental state to be in that mental state. WIREs Cogn Sci 2012, 3:281-292. doi: 10.1002/wcs.1174 For further resources related to this article, please visit the WIREs website. Copyright © 2012 John Wiley & Sons, Ltd.

  13. Optimal III-nitride HEMTs: from materials and device design to compact model of the 2DEG charge density

    Science.gov (United States)

    Li, Kexin; Rakheja, Shaloo

    2017-02-01

    In this paper, we develop a physically motivated compact model of the charge-voltage (Q-V) characteristics in various III-nitride high-electron mobility transistors (HEMTs) operating under highly non-equilibrium transport conditions, i.e. high drain-source current. By solving the coupled Schrödinger-Poisson equation and incorporating the two-dimensional electrostatics in the channel, we obtain the charge at the top-of-the-barrier for various applied terminal voltages. The Q-V model accounts for cutting off of the negative momenta states from the drain terminal under high drain-source bias and when the transmission in the channel is quasi-ballistic. We specifically focus on AlGaN and AlInN as barrier materials and InGaN and GaN as the channel material in the heterostructure. The Q-V model is verified and calibrated against numerical results using the commercial TCAD simulator Sentaurus from Synopsys for a 20-nm channel length III-nitride HEMT. With 10 fitting parameters, most of which have a physical origin and can easily be obtained from numerical or experimental calibration, the compact Q-V model allows us to study the limits and opportunities of III-nitride technology. We also identify optimal material and geometrical parameters of the device that maximize the carrier concentration in the HEMT channel in order to achieve superior RF performance. Additionally, the compact charge model can be easily integrated in a hierarchical circuit simulator, such as Keysight ADS and CADENCE, to facilitate circuit design and optimization of various technology parameters.

  14. Bis-aryl substituted dioxaborines as electron-transport materials: a comparative density functional theory investigation with oxadiazoles and siloles

    International Nuclear Information System (INIS)

    Risko, C.; Zojer, E.; Brocorens, P.; Marder, S.R.; Bredas, J.L.

    2005-01-01

    We report on a detailed quantum-chemical comparison of the electronic structures, vertical electron affinities, and intramolecular reorganization energies for bis-aryl substituted dioxaborine, oxadiazole, and silole derivatives. The results indicate that the HOMO and LUMO energies of the substituted compounds can be tuned on the order of 2-3 eV via minor changes in the substitution patterns, with the HOMO and LUMO levels for the dioxaborine derivatives consistently the most energy stabilized. Additionally, large vertical electron affinities and comparable intramolecular reorganization energies confirm that dioxaborine systems are interesting candidates for electron transport materials

  15. 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

  16. Anisotropic Transport and Magnetic Properties of Charge-Density-Wave Materials RSeTe_2 (R = La, Ce, Pr, Nd)

    International Nuclear Information System (INIS)

    Wang Pei-Pei; Long Yu-Jia; Zhao Ling-Xiao; Chen Dong; Xue Mian-Qi; Chen Gen-Fu

    2015-01-01

    Single crystals of RSeTe_2 (R = La, Ce, Pr, Nd) are synthesized using LiCl/RbCl flux. Transport and magnetic properties in the directions parallel and perpendicular to the a–c plane are investigated. We find that the resistivity anisotropy ρ_⊥/ρ_‖ lies in the range 486–615 for different compounds at 2 K, indicating the highly two-dimensional character. In both the orientations, the charge-density-wave transitions start near T_C_D_W = 284(3) K, 316(3) K, 359(3) K for NdSeTe_2, PrSeTe_2, CeSeTe_2, respectively, with a considerable increase in dc resistivity. While for LaSeTe_2, no obvious resistivity anomaly is observed up to 380 K. The value of T_C_D_W increases monotonically with the increasing lattice parameters. Below T_C_D_W, slight anomalies can be observed in NdSeTe_2, PrSeTe_2 and CeSeTe_2 with onset temperature at 193(3) K, 161(3) K, 108(3) K, respectively, decreasing as lattice parameters increase. Magnetic susceptibility measurements show that the valence state of rare earth ions are trivalence in these compounds. Antiferromagnetic-type magnetic order is formed in CeSeTe_2 at 2.1 K, while no magnetic transition is observed in PrSeTe_2 and NdSeTe_2 down to 1.8 K. (paper)

  17. A method to determine exactly the effective atomic number, electron density and absorbtion coefficient of materials from two Computer-Tomography measurement

    International Nuclear Information System (INIS)

    Christ, G.

    1981-01-01

    By the method of computer tomography, which is in use since about 10 years, X-ray images of a layer of interest can be produced without interference from the material present above this layer. An integral measurement of the attenuation of continuous X-radiation is sufficient to record the different attenuation behaviour in a layer for the purpose of image formation. For more information, however, can be obtained by taking into account the spectral distribution of the X-ray source and the energy dependence of the attenuation, which varies for different materials. In the experimental part of this work the measurement of the spectral distribution is described together with the necessary corrections, and the possible application of the cross sections for the relevant interaction processes, which are known from the literature is studied. As shown in the theoretical part, the attenuation coefficient can be described by an effective atomic number and the electron density of the absorber in the case of an arbitrary mixture of absorbing materials and a continuous X-ray spectrum. These two unknown material parameters can be determined by a method based on the measurement of two spectra with different spectral distribution. This is demonstrated by a one-dimensional and a two-dimensional computer simulation. (orig./WU) [de

  18. Combining density functional theory (DFT) and pair distribution function (PDF) analysis to solve the structure of metastable materials: the case of metakaolin.

    Science.gov (United States)

    White, Claire E; Provis, John L; Proffen, Thomas; Riley, Daniel P; van Deventer, Jannie S J

    2010-04-07

    Understanding the atomic structure of complex metastable (including glassy) materials is of great importance in research and industry, however, such materials resist solution by most standard techniques. Here, a novel technique combining thermodynamics and local structure is presented to solve the structure of the metastable aluminosilicate material metakaolin (calcined kaolinite) without the use of chemical constraints. The structure is elucidated by iterating between least-squares real-space refinement using neutron pair distribution function data, and geometry optimisation using density functional modelling. The resulting structural representation is both energetically feasible and in excellent agreement with experimental data. This accurate structural representation of metakaolin provides new insight into the local environment of the aluminium atoms, with evidence of the existence of tri-coordinated aluminium. By the availability of this detailed chemically feasible atomic description, without the need to artificially impose constraints during the refinement process, there exists the opportunity to tailor chemical and mechanical processes involving metakaolin and other complex metastable materials at the atomic level to obtain optimal performance at the macro-scale.

  19. Compressive strength and initial water absorption rate for cement brick containing high-density polyethylene (HDPE) as a substitutional material for sand

    Science.gov (United States)

    Ali, Noorwirdawati; Din, Norhasmiza; Sheikh Khalid, Faisal; Shahidan, Shahiron; Radziah Abdullah, Siti; Samad, Abdul Aziz Abdul; Mohamad, Noridah

    2017-11-01

    The rapid growth of today’s construction sector requires high amount of building materials. Bricks, known to have solid properties and easy to handle, which leads to the variety of materials added or replaced in its mixture. In this study, high density polyethylene (HDPE) was selected as the substitute materials in the making of bricks. The reason behind the use of HDPE is because of its recyclable properties and the recycling process that do not emit hazardous gases to the atmosphere. Other than that, the use of HDPE will help reducing the source of pollution by avoiding the millions of accumulated plastic waste in the disposal sites. Furthermore, the material has high endurance level and is weatherproof. This study was carried out on experimenting the substitute materials in the mixture of cement bricks, a component of building materials which is normally manufactured using the mixture of cement, sand and water, following a certain ratios, and left dried to produce blocks of bricks. A series of three different percentages of HDPE were used, which were 2.5%, 3.0% and 3.5%. Tests were done on the bricks, to study its compressive strength and the initial water absorption rate. Both tests were conducted on the seventh and 28th day. Based on the results acquired, for compressive strength tests on the 28th day, the use of 2.5% of HDPE shown values of 12.6 N/mm2 while the use of 3.0% of HDPE shown values of 12.5 N/mm2. Onto the next percentage, 3.5% of HDPE shown values of 12.5 N/mm2.

  20. {sup 10}B areal density: A novel approach for design and fabrication of B{sub 4}C/6061Al neutron absorbing materials

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yuli [School of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Key Laboratory of Interface Science and Engineering in Advanced Materials, Ministry of Education, Taiyuan University of Technology, Taiyuan 030024 (China); Wang, Wenxian, E-mail: wangwenxian@tyut.edu.cn [School of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Key Laboratory of Interface Science and Engineering in Advanced Materials, Ministry of Education, Taiyuan University of Technology, Taiyuan 030024 (China); Zhou, Jun [School of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Department of Mechanical Engineering, Pennsylvania State University Erie, The Behrend College, Erie, PA 16563 (United States); Chen, Hongsheng [School of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Key Laboratory of Interface Science and Engineering in Advanced Materials, Ministry of Education, Taiyuan University of Technology, Taiyuan 030024 (China); Zhang, Peng [School of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); College of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024 (China)

    2017-04-15

    In this paper, a novel approach to evaluate the neutron shielding performance of a boron-containing neutron absorbing material was proposed for the first time through the establishment of a direct relationship between {sup 10}B areal density ({sup 10}BAD) of the material and its neutron absorption ratio. It is found when the {sup 10}BAD of a material is greater than 0.034 g/cm{sup 2}, the material will achieve a good neutron shielding performance. Based on this proposed approach, B{sub 4}C/6061Al composite plates with different B{sub 4}C content (10 wt%, 20 wt%, 30 wt%) were successfully fabricated using vacuum hot pressing followed by hot-extrusion. The characteristics of the B{sub 4}C/Al interface were studied in details using transmission electron microscopy (TEM), and the effects of B{sub 4}C particle content on microstructure and mechanical properties of the Al matrix were investigated. Through current studies, B{sub 4}C/6061Al composite plates possessing good neutron shielding performance and tensile strength are found to be able to be fabricated using either 20 wt% of B{sub 4}C content with a plate thickness of 4.5 mm or 30 wt% B{sub 4}C content with a plate thickness of 3 mm. - Graphical abstract: In this paper, a novel approach to evaluate the neutron shielding ability of a boron-containing neutron shielding material was proposed for the first time through the establishment of a direct relationship between {sup 10}B area density ({sup 10}BAD) of the material and its neutron shielding ratio. - Highlights: •{sup 10}BAD was proposed to evaluate the boron-containing neutron absorber material’s neutron shielding performance. •The direct relationship between the {sup 10}BAD and neutron shielding performance was firstly established. •TEM analysis of the composites reveals that an amorphous layer exists at the Al/B{sub 4}C interface. •Suitable B{sub 4}C contents and thickness for the fabrication of B{sub 4}C/6061A1 NAC plate were given in the

  1. Study of 2D MXene Cr{sub 2}C material for hydrogen storage using density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Yadav, A. [Department of Physics and National Centre for Nanosciences & Nanotechnology, University of Mumbai, Vidyanagari, Santacruz (E), Mumbai 400 098 (India); Dashora, Alpa, E-mail: dashoralpa@gmail.com [UM-DAE Centre for Excellence in Basic Sciences, Vidyanagari, Santacruz (E), Mumbai 400 098 (India); Patel, N. [Department of Physics and National Centre for Nanosciences & Nanotechnology, University of Mumbai, Vidyanagari, Santacruz (E), Mumbai 400 098 (India); Dipartimento di Fisica, Università degli Studi di Trento, I-38123 Povo, Trento (Italy); Miotello, A. [Dipartimento di Fisica, Università degli Studi di Trento, I-38123 Povo, Trento (Italy); Press, M.; Kothari, D.C. [Department of Physics and National Centre for Nanosciences & Nanotechnology, University of Mumbai, Vidyanagari, Santacruz (E), Mumbai 400 098 (India)

    2016-12-15

    Highlights: • First-principles studies showed that Cr{sub 2}C MXene can store 7.6 wt.% of H{sub 2}. • 6.4 wt.% H{sub 2} can be reversibly stored at ambient temperature. • Charge transfer between H and Cr is responsible for the reversible H{sub 2} adsorption. • H-atom on hollow site between three Cr atoms is the most stable site. - Abstract: Hydrogen storage capacity of 2D MXene Cr{sub 2}C has been studied using density functional theory. Possibility to adsorb H{sub 2} molecule on Cr{sub 2}C surface at various sites has been studied. Among the studied adsorption sites on Cr{sub 2}C surface, few sites were found suitable for chemisorption and physisorption of H{sub 2} molecules. Few of the studied sites are also found to be suitable for Kubas-type interaction, which is useful for reversible hydrogen storage at ambient conditions. Electronic structure calculations and charge transfer analysis have been done to understand the interactions of adsorbed hydrogen with the Cr{sub 2}C layer. It has been found that the total hydrogen storage capacity of Cr{sub 2}C is 7.6 wt.% in which 1.2 wt.% of H is due to the chemisorption, 3.2 wt.% is bonded with Kubas-interaction and remaining 3.2 wt.% is bonded through weak electrostatic interactions (with binding energy of 0.26 eV/H{sub 2} and charge transfer of 0.09 e{sup −} to H atom from Cr atom). Thus the reversible hydrogen storage capacity at ambient conditions (controlled by hydrogen bonded with energies ranging from 0.1 to 0.4 eV/H{sub 2}, in the present case through Kubas and weak electrostatic interactions) is 6.4 wt.% which is greater than the 2017 DoE recommended target value of 5.5 wt.%.

  2. Materials

    CSIR Research Space (South Africa)

    Van Wyk, Llewellyn V

    2009-02-01

    Full Text Available . It is generally included as part of a structurally insulated panel (SIP) where the foam is sandwiched between external skins of steel, wood or cement. Cement composites Cement bonded composites are an important class of building materials. These products... for their stone buildings, including the Egyptians, Aztecs and Inca’s. As stone is a very dense material it requires intensive heating to become warm. Rocks were generally stacked dry but mud, and later cement, can be used as a mortar to hold the rocks...

  3. The high-density Z-pinch as a pulsed fusion neutron source for fusion nuclear technology and materials testing

    International Nuclear Information System (INIS)

    Krakowski, R.A.; Sethian, J.D.; Hagenson, R.L.

    1989-01-01

    The dense Z-pinch (DZP) is one of the earliest and simplest plasma heating and confinement schemes. Recent experimental advances based on plasma initiation from hair-like (10s μm in radius) solid hydrogen filaments have so far not encountered the usually devastating MHD instabilities that plagued early DZP experiments. These encouraging results along with debt of a number of proof-of principle, high-current (1--2 MA in 10--100 ns) experiments have prompted consideration of the DZP as a pulsed source of DT fusion neutrons of sufficient strength (/dot S//sub N/ ≥ 10 19 n/s) to provide uncollided neutron fluxes in excess of I/sub ω/ = 5--10 MW/m 2 over test volumes of 10--30 litre or greater. While this neutron source would be pulsed (100s ns pulse widths, 10--100 Hz pulse rate), giving flux time compressions in the range 10 5 --10 6 , its simplicity, near-time feasibility, low cost, high-Q operation, and relevance to fusion systems that may provide a pulsed commercial end-product (e.g., inertial confinement or the DZP itself) together create the impetus for preliminary considerations as a neutron source for fusion nuclear technology and materials testings. The results of a preliminary parametric systems study (focusing primarily on physics issues), conceptual design, and cost versus performance analyses are presented. The DZP promises an expensive and efficient means to provide pulsed DT neutrons at an average rate in excess of 10 19 n/s, with neutron currents I/sub ω/ /approx lt/ 10 MW/m 2 over volumes V/sub exp/ ≥ 30 litre using single-pulse technologies that differ little from those being used in present-day experiments. 34 refs., 17 figs., 6 tabs

  4. Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials

    Science.gov (United States)

    Miyamoto, Yoshiyuki; Rubio, Angel

    2018-04-01

    We review our recent developments in the ab initio simulation of excited-state dynamics within the framework of time-dependent density functional theory (TDDFT). Our targets range from molecules to 2D materials, although the methods are general and can be applied to any other finite and periodic systems. We discuss examples of excited-state dynamics obtained by real-time TDDFT coupled with molecular dynamics (MD) and the Ehrenfest approximation, including photoisomerization in molecules, photoenhancement of the weak interatomic attraction of noble gas atoms, photoenhancement of the weak interlayer interaction of 2D materials, pulse-laser-induced local bond breaking of adsorbed atoms on 2D sheets, modulation of UV light intensity by graphene nanoribbons at terahertz frequencies, and collision of high-speed ions with the 2D material to simulate the images taken by He ion microscopy. We illustrate how the real-time TDDFT approach is useful for predicting and understanding non-equilibrium dynamics in condensed matter. We also discuss recent developments that address the excited-state dynamics of systems out of equilibrium and future challenges in this fascinating field of research.

  5. Variation of solvent scattering-length density small-angle neutron scattering as a means of determining structure of composite materials

    International Nuclear Information System (INIS)

    Hjelm, R.P.; Wampler, W.; Gerspacher, M.

    1994-01-01

    As part of our work on the, structure of composite materials we have been exploring the use of small-angle neutron scattering using the method of contrast variation to dissect the component form, structure and distribution. This approach has resulted in a new look at very old problem reinforcement of elastomers by carbon black. Using this approach we studied an experimental high surface area (HSA) carbon black and a gel of ''HSA-bound'' rubber in cyclohexane/deuterocyclohexane mixtures. HSA in cyclohexane is found to be short rodlike particle aggregates. The aggregates have a shell-core structure with a high density graphitic outer shell and an inner core of lower density amorphous carbon. The core is continuous throughout the carbon black aggregate, making the aggregate a stiff, integral unit. Contrast variation of swollen composite gels shows that there are two length scales in the gel structure. Above 10 Angstrom, scattering from carbon black predominates, and below 10 Angstrom the scattering is from both carbon black and the elastomer. The HSA in the composite is completely embedded in polyisoprene. An estimate of the carbon black structure factor shows strong exclusion of neighboring aggregates, probably from excluded volume effects. The surface structure of the carbon black is unaltered by the interactions with elastomer and appears smooth over length scales above about 10 Angstrom. These results show that contrast variation can provide information on composite structure that is not available by other means. This information relates to the reinforcement mechanism of elastomers by carbon blacks

  6. Standard test method for nondestructive assay of special nuclear material in low density scrap and waste by segmented passive gamma-Ray scanning

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2010-01-01

    1.1 This test method covers the transmission-corrected nondestructive assay (NDA) of gamma-ray emitting special nuclear materials (SNMs), most commonly 235U, 239Pu, and 241Am, in low-density scrap or waste, packaged in cylindrical containers. The method can also be applied to NDA of other gamma-emitting nuclides including fission products. High-resolution gamma-ray spectroscopy is used to detect and measure the nuclides of interest and to measure and correct for gamma-ray attenuation in a series of horizontal segments (collimated gamma detector views) of the container. Corrections are also made for counting losses occasioned by signal processing limitations (1-3). 1.2 There are currently several systems in use or under development for determining the attenuation corrections for NDA of radioisotopic materials (4-8). A related technique, tomographic gamma-ray scanning (TGS), is not included in this test method (9, 10, 11). 1.2.1 This test method will cover two implementations of the Segmented Gamma Scanning ...

  7. Material versatility using replica molding for large-scale fabrication of high aspect-ratio, high density arrays of nano-pillars

    International Nuclear Information System (INIS)

    Li, Y; Menon, C; Ng, H W; Gates, B D

    2014-01-01

    Arrays of high aspect-ratio (AR) nano-pillars have attracted a lot of interest for various applications, such as for use in solar cells, surface acoustic sensors, tissue engineering, bio-inspired adhesives and anti-reflective surfaces. Each application may require a different structural material, which can vary in the required chemical composition and mechanical properties. In this paper, a low cost fabrication procedure is proposed for large scale, high AR and high density arrays of nano-pillars. The proposed method enables the replication of a master with high fidelity, using the subsequent replica molds multiple times, and preparing arrays of nano-pillars in a variety of different materials. As an example applied to bio-inspired dry adhesion, polymeric arrays of nano-pillars are prepared in this work. Thermoset and thermoplastic nano-pillar arrays are examined using an atomic force microscope to assess their adhesion strength and its uniformity. Results indicate the proposed method is robust and can be used to reliably prepare nano-structures with a high AR. (paper)

  8. Form-stable paraffin/high density polyethylene composites as solid-liquid phase change material for thermal energy storage: preparation and thermal properties

    International Nuclear Information System (INIS)

    Sari, Ahmet

    2004-01-01

    This paper deals with the preparation of paraffin/high density polyethylene (HDPE) composites as form-stable, solid-liquid phase change material (PCM) for thermal energy storage and with determination of their thermal properties. In such a composite, the paraffin (P) serves as a latent heat storage material and the HDPE acts as a supporting material, which prevents leakage of the melted paraffin because of providing structural strength. Therefore, it is named form-stable composite PCM. In this study, two kinds of paraffins with melting temperatures of 42-44 deg. C (type P1) and 56-58 deg. C (type P2) and latent heats of 192.8 and 212.4 J g -1 were used. The maximum weight percentage for both paraffin types in the PCM composites without any seepage of the paraffin in the melted state were found as high as 77%. It is observed that the paraffin is dispersed into the network of the solid HDPE by investigation of the structure of the composite PCMs using a scanning electronic microscope (SEM). The melting temperatures and latent heats of the form-stable P1/HDPE and P2/HDPE composite PCMs were determined as 37.8 and 55.7 deg. C, and 147.6 and 162.2 J g -1 , respectively, by the technique of differential scanning calorimetry (DSC). Furthermore, to improve the thermal conductivity of the form-stable P/HDPE composite PCMs, expanded and exfoliated graphite (EG) by heat treatment was added to the samples in the ratio of 3 wt.%. Thereby, the thermal conductivity was increased about 14% for the form-stable P1/HDPE and about 24% for the P2/HDPE composite PCMs. Based on the results, it is concluded that the prepared form-stable P/HDPE blends as composite type PCM have great potential for thermal energy storage applications in terms of their satisfactory thermal properties and improved thermal conductivity. Furthermore, these composite PCMs added with EG can be considered cost effective latent heat storage materials since they do not require encapsulation and extra cost to enhance

  9. Density functional theory study the effects of oxygen-containing functional groups on oxygen molecules and oxygen atoms adsorbed on carbonaceous materials.

    Science.gov (United States)

    Qi, Xuejun; Song, Wenwu; Shi, Jianwei

    2017-01-01

    Density functional theory was used to study the effects of different types of oxygen-containing functional groups on the adsorption of oxygen molecules and single active oxygen atoms on carbonaceous materials. During gasification or combustion reactions of carbonaceous materials, oxygen-containing functional groups such as hydroxyl(-OH), carbonyl(-CO), quinone(-O), and carboxyl(-COOH) are often present on the edge of graphite and can affect graphite's chemical properties. When oxygen-containing functional groups appear on a graphite surface, the oxygen molecules are strongly adsorbed onto the surface to form a four-member ring structure. At the same time, the O-O bond is greatly weakened and easily broken. The adsorption energy value indicates that the adsorption of oxygen molecules changes from physisorption to chemisorption for oxygen-containing functional groups on the edge of a graphite surface. In addition, our results indicate that the adsorption energy depends on the type of oxygen-containing functional group. When a single active oxygen atom is adsorbed on the bridge site of graphite, it gives rise to a stable epoxy structure. Epoxy can cause deformation of the graphite lattice due to the transition of graphite from sp2 to sp3 after the addition of an oxygen atom. For quinone group on the edge of graphite, oxygen atoms react with carbon atoms to form the precursor of CO2. Similarly, the single active oxygen atoms of carbonyl groups can interact with edge carbon atoms to form the precursor of CO2. The results show that oxygen-containing functional groups on graphite surfaces enhance the activity of graphite, which promotes adsorption on the graphite surface.

  10. Effects of the plasma-facing materials on the negative ion H ‑ density in an ECR (2.45 GHz) plasma

    Science.gov (United States)

    Bentounes, J.; Béchu, S.; Biggins, F.; Michau, A.; Gavilan, L.; Menu, J.; Bonny, L.; Fombaron, D.; Bès, A.; Lebedev, Yu A.; Shakhatov, V. A.; Svarnas, P.; Hassaine, T.; Lemaire, J. L.; Lacoste, A.

    2018-05-01

    Within the framework of fundamental research, the present work focuses on the role of surface material in the production of H ‑ negative ion, with a potential application of designing cesium-free H ‑ negative ion sources oriented to fusion application. It is widely accepted that the main reaction leading to H ‑ production, in the plasma volume, is the dissociative attachment of low-energy electrons (T e ≤ 1 eV) on highly ro-vibrationally excited hydrogen molecules. In parallel with other mechanisms, the density of these excited molecules may be enhanced by means of the recombinative desorption, i.e. the interaction between surface absorbed atoms with other atoms (surface adsorbed or not) through the path {H}{{ads}}+{H}{{gas}/{{ads}}}\\to {H}2{(v,J)}{{gas}}+{{Δ }}E. Accordingly, a systematic study on the role played by the surface in this reaction, with respect to the production of H ‑ ion in the plasma volume, is here performed. Thus, tantalum and tungsten (already known as H ‑ enhancers) and quartz (inert surface) materials are employed as inner surfaces of a test bench chamber. The plasma inside the chamber is produced by electron cyclotron resonance (ECR) driving and it is characterized with conventional electrostatic probes, laser photodetachment, and emission and absorption spectroscopy. Two different positions (close to and away from the ECR driving zone) are investigated under various conditions of pressure and power. The experimental results are supported by numerical data generated by a 1D model. The latter couples continuity and electron energy balance equations in the presence of magnetic field, and incorporates vibrational kinetics, H2 molecular reactions, H electronically excited states and ground-state species kinetics. In the light of this study, recombinative desorption has been evidenced as the most probable mechanism, among others, responsible for an enhancement by a factor of about 3.4, at 1.6 Pa and 175 W of microwave power, in the

  11. Synthesis and characterization of titanium and yttrium precursors with unsaturated ligands: application to the doping of low-density micro-molecular materials oxides

    International Nuclear Information System (INIS)

    Gamet-Cauro, L.-C.

    2001-01-01

    The laser-matter interaction experiments for high-power pulsed lasers require doped micro-targets. The ablator is a Low-Density Microcellular Material,foam namely a styrene-divinylbenzene copolymer obtained by a HIPE process (High Internal Polymerisation Emulsion). The spectroscopic tracers selected for doping are titanium, yttrium and aluminium as oxides. For obtaining these hybrid organic-inorganic materials, precursors with polymerizable ligands were introduced during the emulsification step since the unsaturation of the ligands could participate in the copolymerization reaction. We report here in the synthesis and characterization of titanium and yttrium precursors with polymerizable ligands. The structures of [Ti(O i Pr) 3 (AMP)] 2 (HAMP allyl-methylphenol), [Ti(OEt) 3 (AAA)] 2 (HAAA allylacetoacetate), Y 8 O 2 (OH) 4 (OEt) 6 (AAA) 10 were established by X-ray diffraction. Ti 4 O 3 (OR) 8 (AAA) 2 (R Et, i Pr).[TiO(O i Pr)(oleate)] m , Y 4 (OH) 2 (AAA) 5 , Y 4 O(O i Pr) 5 (AAA) 5 , Y 4 (OH) 4 Cl 5 (AAA) 3 (THF) 3 have been prepared as well and characterized by FT-IR, 1 HNMR and elemental analysis. Micro-hydrolysis reactions of titanium derivatives were investigated. The rates of polymerisation and copolymerization with styrene were evaluated for the titanium precursors with polymerizable ligands. The parameters of the HIPE process were adapted to the fabrication of doped foams, only the dopant and initiator change. We discuss incorporation mechanisms of titanium oxide and yttrium oxo-hydroxides: precursor-surfactant interaction, copolymerization of precursors with unsaturated ligands and physical or chemical retention. The foams have been characterized by scanning electron microscopy (morphology), elemental analysis and fluorescence X cartography (amount, distribution of metal oxide), adsorption isotherms (BET, texture), compression tests (mechanical strength). Due to this systematic study, a good control of doping has become possible and allowed us to develop

  12. Developing and Evaluating Composites Based on Plantation Eucalyptus Rotary-cut Veneer and High-density Polyethylene Film as Novel Building Materials

    Directory of Open Access Journals (Sweden)

    Wei Song

    2016-02-01

    Full Text Available To achieve value-added utilizations of plantation timbers, eucalyptus veneer/high-density polyethylene film composites were prepared, with process-factors (PF (hot-pressing temperature, HT; hot-pressing duration, HD; hot-pressing pressure, HP; HDPE-film content, HC and composite-properties (CP (water-resistant bonding-strength, BS; modulus of rupture, MOR; modulus of elasticity, MOE investigated. According to thermal analyses, 140 to 180 °C was appropriate for HT. Based on statistical analyses, HD was easier to affect CP, while MOE was easier to be affected by PF. Quantitative relationships between PF and CP were determined by the neural-network (ANN modeling. In ANN simulation surveys, CP displayed Gaussian distributions (R2 > 0.9 when PF changed in current ranges, with positive correlations between BS and MOR (R2 ≈ 0.5. Combining ANN and the genetic-algorithm, optimal processes (HT, 160 °C; HD, 50 s/mm; HP, 1.3 MPa; HC, 6 layers were found, and optimal results (BS, 1.30 MPa; MOR, 86.94 MPa; MOE, 8.33 GPa were comparable to various reported poplar-plywoods. Microscopic images demonstrated that composite interfaces were formed by the mechanical interlocking. The optimal BS attained Chinese standards for water-resistant plywoods, so proposed composites can serve as water-resistant and formaldehyde-free building materials for furniture and interior design.

  13. Density functional theory study of silodithiophene thiophenepyrrolopyrroledion-based small molecules: The effect of alkyl side chain length in electron donor materials

    Energy Technology Data Exchange (ETDEWEB)

    Seo, Dong Kyun; Yeo, Hak; Kwak, Kyung Won [Dept. of Chemistry, Chung-Ang University, Seoul (Korea, Republic of); Yoon, Young Woon; Kim, Bong Soo [Photo-electronic Hybrids Research Center, Korea Institute of Science and Technology, Seoul (Korea, Republic of); Lee, Kyung Koo [Dept. of Chemistry, Kunsan National University, Gunsan (Korea, Republic of)

    2015-02-15

    Push–pull small molecules are promising electron-donor materials for organic solar cells. Thus, precise prediction of their electronic structures is of paramount importance to control the optical and electrical properties of the solar cells. Various types of alkyl chains are usually introduced to increase solubility and modify the morphology of the resulting molecular films. Here, using density functional theory (DFT) and time-dependent DFT (TD-DFT), we report the precise effect of increasing the length of the alkyl chain on the electronic structure of an electron donor molecule 6,60-((4,4-dialkyl-4H-silolo[3,2-b:4,5-b′]-dithiophene-2,6-diyl) bis(thiophene-5,2-diyl))bis(2,5-alkyl-3-(thiophen-2-yl) -2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione) (DTS1TDPP). Alkyl groups were attached to the bridging position (silicon atom) of the fused rings and nitrogen atom of the pyrrolopyrroledione groups. We demonstrate that the alkyl groups do not perturb the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels, π-delocalized backbone structure, and UV–Vis absorption spectrum when they are placed at the least steric effect positions.

  14. The influence of expanded graphite on thermal properties for paraffin/high density polyethylene/chlorinated paraffin/antimony trioxide as a flame retardant phase change material

    International Nuclear Information System (INIS)

    Zhang Ping; Song Lei; Lu Hongdian; Wang Jian; Hu Yuan

    2010-01-01

    The influences of expanded graphite (EG) on the thermal properties of chlorinated paraffin (CP) and antimony trioxide (AT) on phase change material which bases on paraffin/high density polyethylene (HDPE) are studied. Differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), thermogravimetric analysis-Fourier transform infrared spectrometry (TGA-FTIR), microscale combustion calorimeter (MCC) and cone calorimeter (CONE) were used to evaluate the influence of EG on paraffin/HDPE/CP/AT system. The DSC results indicated that the latent heat value of PCM could be increased when the mass fraction of HDPE was decreased in the PCM, and EG could confine the molecular heat movement of paraffin. EG could improve the thermal stability and increase the char residue at high temperature for paraffin/HDPE/CP/AT hybrid. The volatilized products formed on thermal degradation of paraffin/HDPE/CP/AT with EG showed the release of CO 2 gas was hastened and increased, and the amount of combustible gases were decreased by TGA-FTIR analysis. The MCC and CONE results presented that the flame retardant efficiency of CP/AT could be improved by adding EG in paraffin/HDPE/CP/AT system.

  15. Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.

    Science.gov (United States)

    Heinen, Jurn; Burtch, Nicholas C; Walton, Krista S; Fonseca Guerra, Célia; Dubbeldam, David

    2016-12-12

    For the design of adsorptive-separation units, knowledge is required of the multicomponent adsorption behavior. Ideal adsorbed solution theory (IAST) breaks down for olefin adsorption in open-metal site (OMS) materials due to non-ideal donor-acceptor interactions. Using a density-function-theory-based energy decomposition scheme, we develop a physically justifiable classical force field that incorporates the missing orbital interactions using an appropriate functional form. Our first-principles derived force field shows greatly improved quantitative agreement with the inflection points, initial uptake, saturation capacity, and enthalpies of adsorption obtained from our in-house adsorption experiments. While IAST fails to make accurate predictions, our improved force field model is able to correctly predict the multicomponent behavior. Our approach is also transferable to other OMS structures, allowing the accurate study of their separation performances for olefins/paraffins and further mixtures involving complex donor-acceptor interactions. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Benchmarking Density Functional Theory Based Methods To Model NiOOH Material Properties: Hubbard and van der Waals Corrections vs Hybrid Functionals.

    Science.gov (United States)

    Zaffran, Jeremie; Caspary Toroker, Maytal

    2016-08-09

    NiOOH has recently been used to catalyze water oxidation by way of electrochemical water splitting. Few experimental data are available to rationalize the successful catalytic capability of NiOOH. Thus, theory has a distinctive role for studying its properties. However, the unique layered structure of NiOOH is associated with the presence of essential dispersion forces within the lattice. Hence, the choice of an appropriate exchange-correlation functional within Density Functional Theory (DFT) is not straightforward. In this work, we will show that standard DFT is sufficient to evaluate the geometry, but DFT+U and hybrid functionals are required to calculate the oxidation states. Notably, the benefit of DFT with van der Waals correction is marginal. Furthermore, only hybrid functionals succeed in opening a bandgap, and such methods are necessary to study NiOOH electronic structure. In this work, we expect to give guidelines to theoreticians dealing with this material and to present a rational approach in the choice of the DFT method of calculation.

  17. The Quest for Greater Chemical Energy Storage: A Deceiving Game of Nanometer Manipulation

    Science.gov (United States)

    Lindsay, C. Michael

    2015-06-01

    It is well known that modern energetic materials based on organic chemistry have nearly reached a plateau in performance with only ~ 40% improvement realized over the past half century. This fact has stimulated research on alternative chemical energy storage schema in various US government funded ``High Energy Density Materials'' (HEDM) programs since the 1950's. These efforts have examined a wide range of phenomena such as free radical stabilization, metallic hydrogen, metastable helium, polynitrogens, extended molecular solids, nanothermites, and others. In spite of the substantial research investments, significant improvements in energetic material performance have not been forthcoming. In this talk we will survey various fundamental modes of chemical energy storage, lesson's learned in the various HEDM programs, and areas that are being explored currently. A recurring theme in all of this work is the challenge to successfully manipulate and stabilize matter at the ~ 1 nm scale.

  18. Preparation and properties studies of halogen-free flame retardant form-stable phase change materials based on paraffin/high density polyethylene composites

    International Nuclear Information System (INIS)

    Cai Yibing; Wei Qufu; Huang Fenglin; Gao Weidong

    2008-01-01

    The halogen-free flame retardant form-stable phase change materials (PCM) based on paraffin/high density polyethylene (HDPE) composites were prepared by using twin-screw extruder technique. The structures and properties of the form-stable PCM composites based on intumescent flame retardant system with expandable graphite (EG) and different synergistic additives, such as ammonium polyphosphate (APP) and zinc borate (ZB) were characterized by scanning electronic microscope (SEM), thermogravimetric analyses (TGA), dynamic Fourier-transform infrared (FTIR) spectra, differential scanning calorimeter (DSC) and Cone calorimeter test. The TGA results showed that the halogen-free flame retardant form-stable PCM composites produced a larger amount of charred residue at 700 deg. C, although the onset of weight loss of the halogen-free flame retardant form-stable PCM composites occurred at a lower temperature due to the thermal decomposition of flame retardant. The DSC measurements indicated that the additives of flame retardant had little effect on the thermal energy storage property, and the temperatures of phase change peaks and the latent heat of the paraffin showed better occurrence during the freezing process. The dynamic FTIR monitoring results revealed that the breakdowns of main chains (HDPE and paraffin) and formations of various residues increased with increasing thermo-oxidation temperature. It was also found from the Cone calorimeter tests that the peak of heat release rate (PHRR) decreased significantly. Both the decrease of the PHRR and the structure of charred residue after combustion indicated that there was a synergistic effect between the EG and APP, contributing to the improved flammability of the halogen-free flame retardant form-stable PCM composites

  19. Road density

    Data.gov (United States)

    U.S. Environmental Protection Agency — Road density is generally highly correlated with amount of developed land cover. High road densities usually indicate high levels of ecological disturbance. More...

  20. Structure factor of blends of solvent-free nanoparticle–organic hybrid materials: density-functional theory and small angle X-ray scattering

    KAUST Repository

    Yu, Hsiu-Yu; Srivastava, Samanvaya; Archer, Lynden A.; Koch, Donald L.

    2014-01-01

    . The experimental systems studied include pure samples with different silica core volume fractions and the associated mean corona grafting densities, and blends with different mixing ratios of the pure samples, in order to introduce varying polydispersity of corona

  1. Active Galactic Nuclei: the Shape of Material Around Black Holes and the Witch of Agnesi Function. Asymmetry of Neutrino Particle Density

    Directory of Open Access Journals (Sweden)

    Vezzoli G. C.

    2009-10-01

    Full Text Available A mathematical representation is given and physically described for the shape of the very hot material that immediately surrounds a black hole and the warm material located at a greater distance from the black hole, as related to active galactic nuclei. The shape of the material surrounding the black hole is interpreted in terms of asymmetry of the neutrino flux. Detailed experimental measurements on radioactive decay influenced by astrophysical events are given to support this interpretation.

  2. Effect of dry density and temperature on the hydraulic conductivity of domestic compacted bentonite as a buffer material in the high level waste repository

    International Nuclear Information System (INIS)

    Cho, Won Jin; Chun, Kwan Sik; Lee, Jae Owan

    1999-02-01

    This study is intended to investigate the effect of dry density and temperature on the hydraulic conductivity of domestic calcium bentonite. The dry densities of bentonite are 1.4 Mg/m 3 , 1.6 Mg/m 3 and 1.6 Mg/m, and the temperatures are in the range of 20 dg C to 150 dg C. The hydraulic conductivities of compacted bentonite with dry densities higher than 1.4 Mg/m 3 are lower than 10 -1 1 m/s, and are low enough to inhibit the radionuclide release by advection through the buffer. The hydraulic conductivities at the temperature of 150 dg C increase up to about 1 order higher than those at 20 dg C. (author). 28 refs., 5 tabs., 20 figs

  3. Teaching of the subject "density difference caused by salinity", one of the reasons that plays role in the occurrence of currents in straits, seas and oceans by the use of a teaching material

    Science.gov (United States)

    Gumussoy, Verim

    2015-04-01

    Large masses of moving water in seas and oceans are called currents. Root causes of currents are steady winds that occur due to the global atmospheric system and the density differences caused by different heat and salinity levels of water masses. Different feeding and evaporation characteristics of seas and oceans result in salinity and density levels. As a result, subsurface currents occur in straits where seas with different salinity and density levels meet and in the nearby seas. The Bosporus in Istanbul where I live and the school I am working at is has these subsurface currents. In the Black Sea where the rivers the Danube, Dnieper, Don, Yesilirmak, Kizilirmak and Sakarya flow into and the evaporation level is less due to the latitude effect, salinity level is less compared to Marmara and Aegean Seas. As Marmara Sea has higher salt amount than Black Sea, there is a great density difference between these two seas. Marmara Sea has a higher concentration of salt and therefore a higher density than Black Sea. And this leads to occurrence of subsurface currents in the Bosporus. I get my students to carry out a small demonstration to help them understand the occurrence of ocean currents and currents in the seas and the Bosporus by the use of a material. We need very simple materials to carry out this demonstration. These are an aquarium, a bowl, water, salt, dye and a mixer. The demonstration is carried out as follows: we put water, salt and dye in the bowl and mix it well. The salt will increase the density of the water and the dye will help distinguish the salty water. Then we put tap water half way to the aquarium and pour the mixture in the bowl to the aquarium slowly. As a result, the colored salty water sinks down due to its higher density, setting an example of a subsurface current. Natural events occur in very long periods by great dynamic systems, making understanding of them difficult. It is important to use different kinds of materials that address to

  4. Lung density

    DEFF Research Database (Denmark)

    Garnett, E S; Webber, C E; Coates, G

    1977-01-01

    The density of a defined volume of the human lung can be measured in vivo by a new noninvasive technique. A beam of gamma-rays is directed at the lung and, by measuring the scattered gamma-rays, lung density is calculated. The density in the lower lobe of the right lung in normal man during quiet...... breathing in the sitting position ranged from 0.25 to 0.37 g.cm-3. Subnormal values were found in patients with emphsema. In patients with pulmonary congestion and edema, lung density values ranged from 0.33 to 0.93 g.cm-3. The lung density measurement correlated well with the findings in chest radiographs...... but the lung density values were more sensitive indices. This was particularly evident in serial observations of individual patients....

  5. Influence of flavour absorption by food-packaging materials (low-density polyethylene, polycarbonate and polyethylene terephthalate) on taste perception of a model solution and orange juice

    NARCIS (Netherlands)

    Willige, van R.W.G.; Linssen, J.P.H.; Legger, A.; Voragen, A.G.J.

    2003-01-01

    The influence of flavour absorption by low-density polyethylene (LDPE), polycarbonate (PC) and polyethylene terephthalate (PET) on taste perception of a model solution containing seven flavour compounds and orange juice in glass bottles was studied with and without pieces of the respective plastic

  6. Investigation of utilization of process of polyethylene waste of low density for creation of competitive materials with application of phenol formaldehyde oligomers

    International Nuclear Information System (INIS)

    Agakishieva, M.A.; Bilalov, Ya. M; Ibragimova, S. M; Dadasheva, G. I; Rezaei, Rudabeh

    2007-01-01

    Full text: The possibility of the utilization of low density polyethylene wastes by means of their modification with phenol formaldehyde oligomers (Ph FO) and PhFO with the thiourathenes has been investigation. Theology properties of the investigated systems showed that the obtained compositions can be able to be processed by the ordinary methods such as extrusion and casting

  7. High-energy diffraction microscopy at the advanced photon source

    DEFF Research Database (Denmark)

    Lienert, U.; Li, S. F.; Hefferan, C. M.

    2011-01-01

    The status of the High Energy Diffraction Microscopy (HEDM) program at the 1-ID beam line of the Advanced Photon Source is reported. HEDM applies high energy synchrotron radiation for the grain and sub-grain scale structural and mechanical characterization of polycrystalline bulk materials in situ...

  8. Designing topological defects in 2D materials using scanning probe microscopy and a self-healing mechanism: a density functional-based molecular dynamics study

    Science.gov (United States)

    Popov, Igor; Đurišić, Ivana; Belić, Milivoj R.

    2017-12-01

    Engineering of materials at the atomic level is one of the most important aims of nanotechnology. The unprecedented ability of scanning probe microscopy to address individual atoms opened up the possibilities for nanomanipulation and nanolitography of surfaces and later on of two-dimensional materials. While the state-of-the-art scanning probe lithographic methods include, primarily, adsorption, desorption and repositioning of adatoms and molecules on substrates or tailoring nanoribbons by etching of trenches, the precise modification of the intrinsic atomic structure of materials is yet to be advanced. Here we introduce a new concept, scanning probe microscopy with a rotating tip, for engineering of the atomic structure of membranes based on two-dimensional materials. In order to indicate the viability of the concept, we present our theoretical research, which includes atomistic modeling, molecular dynamics simulations, Fourier analysis and electronic transport calculations. While stretching can be employed for fabrication of atomic chains only, our comprehensive molecular dynamics simulations indicate that nanomanipulation by scanning probe microscopy with a rotating tip is capable of assembling a wide range of topological defects in two-dimensional materials in a rather controllable and reproducible manner. We analyze two possibilities. In the first case the probe tip is retracted from the membrane while in the second case the tip is released beneath the membrane allowing graphene to freely relax and self-heal the pore made by the tip. The former approach with the tip rotation can be achieved experimentally by rotation of the sample, which is equivalent to rotation of the tip, whereas irradiation of the membrane by nanoclusters can be utilized for the latter approach. The latter one has the potential to yield a yet richer diversity of topological defects on account of a lesser determinacy. If successfully realized experimentally the concept proposed here could

  9. The Weighted Burgers Vector: a new quantity for constraining dislocation densities and types using electron backscatter diffraction on 2D sections through crystalline materials.

    Science.gov (United States)

    Wheeler, J; Mariani, E; Piazolo, S; Prior, D J; Trimby, P; Drury, M R

    2009-03-01

    The Weighted Burgers Vector (WBV) is defined here as the sum, over all types of dislocations, of [(density of intersections of dislocation lines with a map) x (Burgers vector)]. Here we show that it can be calculated, for any crystal system, solely from orientation gradients in a map view, unlike the full dislocation density tensor, which requires gradients in the third dimension. No assumption is made about gradients in the third dimension and they may be non-zero. The only assumption involved is that elastic strains are small so the lattice distortion is entirely due to dislocations. Orientation gradients can be estimated from gridded orientation measurements obtained by EBSD mapping, so the WBV can be calculated as a vector field on an EBSD map. The magnitude of the WBV gives a lower bound on the magnitude of the dislocation density tensor when that magnitude is defined in a coordinate invariant way. The direction of the WBV can constrain the types of Burgers vectors of geometrically necessary dislocations present in the microstructure, most clearly when it is broken down in terms of lattice vectors. The WBV has three advantages over other measures of local lattice distortion: it is a vector and hence carries more information than a scalar quantity, it has an explicit mathematical link to the individual Burgers vectors of dislocations and, since it is derived via tensor calculus, it is not dependent on the map coordinate system. If a sub-grain wall is included in the WBV calculation, the magnitude of the WBV becomes dependent on the step size but its direction still carries information on the Burgers vectors in the wall. The net Burgers vector content of dislocations intersecting an area of a map can be simply calculated by an integration round the edge of that area, a method which is fast and complements point-by-point WBV calculations.

  10. Low Bone Density

    Science.gov (United States)

    ... Density Exam/Testing › Low Bone Density Low Bone Density Low bone density is when your bone density ... people with normal bone density. Detecting Low Bone Density A bone density test will determine whether you ...

  11. Assessment of the failure behavior of dangerous goods containers made of high density polyethylene using relevant material parameters; Beurteilung des Versagensverhaltens von Gefahrengutbehaeltern aus Polyethylen hoher Dichte auf Basis relevanter Werkstoffkennwerte

    Energy Technology Data Exchange (ETDEWEB)

    Menrad, Andreas

    2013-09-01

    To obtain approval as dangerous goods packaging, different experimental tests are required to show the eligibility for the transportation of those goods. The data obtained from the material test performed on the pressed plates is not used to get absolute values for the failure time in an internal pressure test or the medium drop height. The goal is to see if there are changes in the behavior because a different HDPE is being used. All the jerrycans and pressed plates were specially made of four different materials to gain knowledge about the material properties. The plates and jerrycans were made of resin from the same batch to prevent variations caused by batch differences. The wall thickness is decisive and, therefore packagings were analyzed using computer tomography and the fringe projection technique. The results were compared to the magnetostatic measurement technique. The deformation under internal pressure was measured by digital image correlation. Deformations in the radial direction and the equivalent strains were determined. These deformations, strains, and their acceleration due to the swelling effect could be reproduced in the finite element analysis by using the temperature in the material model. The resistance against both internal pressure and absorption depend on the density of the material. Conditioning at elevated temperatures causes post crystallization and reduces internal stresses. Differences in the densities of the materials can be determined by using plates manufactured by compression molding. A higher density leads to a better performance under internal pressure. A correlation could be proved between the medium failure drop height (50 % of the packagings fail because of a crack) and the tensile impact strength of notched specimens cut out of the jerrycans side walls and the notched impact strength (NIS) of pressed plates. A higher NIS leads to a higher medium failure drop height. A low resistance against oxidative degradation will reduce

  12. Development of small-bore, high-current-density railgun as testbed for study of plasma-materials interaction. Progress report for October 16, 2000 - May 13, 2003

    International Nuclear Information System (INIS)

    Kyekyoon, Kim-Kevin

    2003-01-01

    The present document is a final technical report summarizing the progress made during 10/16/2000 - 05/13/2003 toward the development of a small-bore railgun with transaugmentation as a testbed for investigating plasma-materials interaction

  13. Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory

    NARCIS (Netherlands)

    Heinen, J.; Burtch, N.; Walton, K.; Fonseca Guerra, C.; Dubbeldam, D.

    2016-01-01

    For the design of adsorptive-separation units, knowledge is required of the multicomponent adsorption behavior. Ideal adsorbed solution theory (IAST) breaks down for olefin adsorption in open-metal site (OMS) materials due to non-ideal donor–acceptor interactions. Using a

  14. Measurement of loose powder density

    International Nuclear Information System (INIS)

    Akhtar, S.; Ali, A.; Haider, A.; Farooque, M.

    2011-01-01

    Powder metallurgy is a conventional technique for making engineering articles from powders. Main objective is to produce final products with the highest possible uniform density, which depends on the initial loose powder characteristics. Producing, handling, characterizing and compacting materials in loose powder form are part of the manufacturing processes. Density of loose metallic or ceramic powder is an important parameter for die design. Loose powder density is required for calculating the exact mass of powder to fill the die cavity for producing intended green density of the powder compact. To fulfill this requirement of powder metallurgical processing, a loose powder density meter as per ASTM standards is designed and fabricated for measurement of density. The density of free flowing metallic powders can be determined using Hall flow meter funnel and density cup of 25 cm/sup 3/ volume. Density of metal powders like cobalt, manganese, spherical bronze and pure iron is measured and results are obtained with 99.9% accuracy. (author)

  15. Novel silica surface charge density mediated control of the optical properties of embedded optically active materials and its application for fiber optic pH sensing at elevated temperatures.

    Science.gov (United States)

    Wang, Congjun; Ohodnicki, Paul R; Su, Xin; Keller, Murphy; Brown, Thomas D; Baltrus, John P

    2015-02-14

    Silica and silica incorporated nanocomposite materials have been extensively studied for a wide range of applications. Here we demonstrate an intriguing optical effect of silica that, depending on the solution pH, amplifies or attenuates the optical absorption of a variety of embedded optically active materials with very distinct properties, such as plasmonic Au nanoparticles, non-plasmonic Pt nanoparticles, and the organic dye rhodamine B (not a pH indicator), coated on an optical fiber. Interestingly, the observed optical response to varying pH appears to follow the surface charge density of the silica matrix for all the three different optically active materials. To the best of our knowledge, this optical effect has not been previously reported and it appears universal in that it is likely that any optically active material can be incorporated into the silica matrix to respond to solution pH or surface charge density variations. A direct application of this effect is for optical pH sensing which has very attractive features that can enable minimally invasive, remote, real time and continuous distributed pH monitoring. Particularly, as demonstrated here, using highly stable metal nanoparticles embedded in an inorganic silica matrix can significantly improve the capability of pH sensing in extremely harsh environments which is of increasing importance for applications in unconventional oil and gas resource recovery, carbon sequestration, water quality monitoring, etc. Our approach opens a pathway towards possible future development of robust optical pH sensors for the most demanding environmental conditions. The newly discovered optical effect of silica also offers the potential for control of the optical properties of optically active materials for a range of other potential applications such as electrochromic devices.

  16. Introducing correlations into carrier transport simulations of disordered materials through seeded nucleation: impact on density of states, carrier mobility, and carrier statistics

    Science.gov (United States)

    Brown, J. S.; Shaheen, S. E.

    2018-04-01

    Disorder in organic semiconductors has made it challenging to achieve performance gains; this is a result of the many competing and often nuanced mechanisms effecting charge transport. In this article, we attempt to illuminate one of these mechanisms in the hopes of aiding experimentalists in exceeding current performance thresholds. Using a heuristic exponential function, energetic correlation has been added to the Gaussian disorder model (GDM). The new model is grounded in the concept that energetic correlations can arise in materials without strong dipoles or dopants, but may be a result of an incomplete crystal formation process. The proposed correlation has been used to explain the exponential tail states often observed in these materials; it is also better able to capture the carrier mobility field dependence, commonly known as the Poole-Frenkel dependence, when compared to the GDM. Investigation of simulated current transients shows that the exponential tail states do not necessitate Montroll and Scher fits. Montroll and Scher fits occur in the form of two distinct power law curves that share a common constant in their exponent; they are clearly observed as linear lines when the current transient is plotted using a log-log scale. Typically, these fits have been found appropriate for describing amorphous silicon and other disordered materials which display exponential tail states. Furthermore, we observe the proposed correlation function leads to domains of energetically similar sites separated by boundaries where the site energies exhibit stochastic deviation. These boundary sites are found to be the source of the extended exponential tail states, and are responsible for high charge visitation frequency, which may be associated with the molecular turnover number and ultimately the material stability.

  17. Spectral variations and energy transfer processes on both Er 3+ ion concentration and excitation densities in Yb 3+-Er 3+ codoped LaF3 materials

    International Nuclear Information System (INIS)

    Zhang Jisen; Qin Weiping; Zhao Dan; Degejihu; Zhang Jishuang; Wang Yan; Cao Chunyan

    2007-01-01

    In comparison with the up-conversion spectra of Yb 3+ -Er 3+ codopded systems reported previously, the interesting intensity changes of up-conversion luminescence between the violet, the blue, the green and the red on the both Er 3+ ion concentration and excitation density with 978 nm laser diodes as an excitation source were observed in Yb 3+ -Er 3+ codopded LaF 3 powders. In order to clarify the change mechanisms, the up-conversion spectra of LaF 3 : 10 mol% Yb 3+ , 0.5 mol% Er 3+ and LaF 3 : 10 mol% Yb 3+ , 1 mol% Er 3+ were investigated and the results indicated that the cross-relaxation processes between Er 3+ ions and the thermal population of the 2 H 11/2 level play significant roles

  18. Generation of intense X-radiation and high-energy-density matter by laser-accelerated electrons; Erzeugung von intensiver Roentgenstrahlung und Materie hoher Energiedichte durch Laserbeschleunigte Elektronen

    Energy Technology Data Exchange (ETDEWEB)

    Schoenlein, Andreas

    2015-07-01

    Aim of this thesis was to study the processes of the interaction between highly intense short-pulse laser and matter. The focus lied thereby on the generation of intense X-radiation and warm dense matter. The studies performed for this thesis comprehend thereby the influence of laser parameters like energy, pulse length, focus size, and intensity as well as the influence of the target geometry on the interaction and generation of high-energy-density matter. In this thesis for this two selected experiments are presented. First a silver foil was used as target, in order to study the generation of radiation at 21 keV. Both bremsstrahlung and characteristic X-radiation were used in order to characterize the interaction. For the second experiment freely standing titanium wires were used as target. Hereby the focus lied on the characterization of the heated matter.

  19. High energy density of Li3-xNaxV2(PO4)3/C cathode material with high rate cycling performance for lithium-ion batteries

    Science.gov (United States)

    Zuo, Zong-Lin; Deng, Jian-Qiu; Pan, Jin; Luo, Wen-Bin; Yao, Qing-Rong; Wang, Zhong-Min; Zhou, Huai-Ying; Liu, Hua-Kun

    2017-07-01

    A serials of micro-sized Li3-xNaxV2(PO4)3/C composite has been synthesized by sol-gel method, comprised of numerous primary nanocrystals. This structure can efficiently facilitate lithium-ion transport in secondary aggregated individual particles due to the short diffusion distance among primary nanocrystals, along with a high tap density. With the increasing of Na doping content, the structure evolution occurs in Li3-xNaxV2(PO4)3 from a single-phase structure to a two-phase structure. The appearance of rhombohedral phase can provide a larger free volume of the interstitial space, fastening ionic movement to offer an excellent high rate capability. Furthermore, Na doping can stabilize the rhombohedral structure of the V2(PO4)3 framework, leading to the remarkable cycling stability. Among all the composites, Li2.6Na0.4V2(PO4)3/C presents the best electrochemical performance with a high energy density of 478.8 Wh kg-1, delivering high initial discharge capacities of 121.6, 113.8 and 109.7 mAh g-1 at the rate of 5 C, 10 C and 20 C in a voltage range of 3.0 - 4.3 V, respectively. It also exhibit an excellent high rate cycling performance, with capacity retention of 85.9 %, 81.7 % and 76.5 % after 1000 cycles at the rate of 5 C, 10 C and 20 C in a voltage range of 3.0 - 4.3 V.

  20. Density functional theory

    International Nuclear Information System (INIS)

    Das, M.P.

    1984-07-01

    The state of the art of the density functional formalism (DFT) is reviewed. The theory is quantum statistical in nature; its simplest version is the well-known Thomas-Fermi theory. The DFT is a powerful formalism in which one can treat the effect of interactions in inhomogeneous systems. After some introductory material, the DFT is outlined from the two basic theorems, and various generalizations of the theorems appropriate to several physical situations are pointed out. Next, various approximations to the density functionals are presented and some practical schemes, discussed; the approximations include an electron gas of almost constant density and an electron gas of slowly varying density. Then applications of DFT in various diverse areas of physics (atomic systems, plasmas, liquids, nuclear matter) are mentioned, and its strengths and weaknesses are pointed out. In conclusion, more recent developments of DFT are indicated

  1. Current Issues in Finite-T Density-Functional Theory and Warm-Correlated Matter †

    Directory of Open Access Journals (Sweden)

    M. W. C. Dharma-wardana

    2016-03-01

    Full Text Available Finite-temperature density functional theory (DFT has become of topical interest, partly due to the increasing ability to create novel states of warm-correlated matter (WCM.Warm-dense matter (WDM, ultra-fast matter (UFM, and high-energy density matter (HEDM may all be regarded as subclasses of WCM. Strong electron-electron, ion-ion and electron-ion correlation effects and partial degeneracies are found in these systems where the electron temperature Te is comparable to the electron Fermi energy EF. Thus, many electrons are in continuum states which are partially occupied. The ion subsystem may be solid, liquid or plasma, with many states of ionization with ionic charge Zj. Quasi-equilibria with the ion temperature Ti ≠ Te are common. The ion subsystem in WCM can no longer be treated as a passive “external potential”, as is customary in T = 0 DFT dominated by solid-state theory or quantum chemistry. Many basic questions arise in trying to implement DFT for WCM. Hohenberg-Kohn-Mermin theory can be adapted for treating these systems if suitable finite-T exchange-correlation (XC functionals can be constructed. They are functionals of both the one-body electron density ne and the one-body ion densities ρj. Here, j counts many species of nuclei or charge states. A method of approximately but accurately mapping the quantum electrons to a classical Coulomb gas enables one to treat electron-ion systems entirely classically at any temperature and arbitrary spin polarization, using exchange-correlation effects calculated in situ, directly from the pair-distribution functions. This eliminates the need for any XC-functionals. This classical map has been used to calculate the equation of state of WDM systems, and construct a finite-T XC functional that is found to be in close agreement with recent quantum path-integral simulation data. In this review, current developments and concerns in finite-T DFT, especially in the context of non-relativistic warm

  2. Level densities

    International Nuclear Information System (INIS)

    Ignatyuk, A.V.

    1998-01-01

    For any applications of the statistical theory of nuclear reactions it is very important to obtain the parameters of the level density description from the reliable experimental data. The cumulative numbers of low-lying levels and the average spacings between neutron resonances are usually used as such data. The level density parameters fitted to such data are compiled in the RIPL Starter File for the tree models most frequently used in practical calculations: i) For the Gilber-Cameron model the parameters of the Beijing group, based on a rather recent compilations of the neutron resonance and low-lying level densities and included into the beijing-gc.dat file, are chosen as recommended. As alternative versions the parameters provided by other groups are given into the files: jaeri-gc.dat, bombay-gc.dat, obninsk-gc.dat. Additionally the iljinov-gc.dat, and mengoni-gc.dat files include sets of the level density parameters that take into account the damping of shell effects at high energies. ii) For the backed-shifted Fermi gas model the beijing-bs.dat file is selected as the recommended one. Alternative parameters of the Obninsk group are given in the obninsk-bs.dat file and those of Bombay in bombay-bs.dat. iii) For the generalized superfluid model the Obninsk group parameters included into the obninsk-bcs.dat file are chosen as recommended ones and the beijing-bcs.dat file is included as an alternative set of parameters. iv) For the microscopic approach to the level densities the files are: obninsk-micro.for -FORTRAN 77 source for the microscopical statistical level density code developed in Obninsk by Ignatyuk and coworkers, moller-levels.gz - Moeller single-particle level and ground state deformation data base, moller-levels.for -retrieval code for Moeller single-particle level scheme. (author)

  3. Blending of Low-Density Polyethylene and Poly-Lactic Acid with Maleic Anhydride as A Compatibilizer for Better Environmentally Food-Packaging Material

    Science.gov (United States)

    Setiawan, A. H.; Aulia, F.

    2017-05-01

    The common conventional food packaging materialsare using a thin layer plastic or film, which is made of a synthetic polymer, such as Low-Density Poly Ethylene (LDPE). However, the use of these polymers hasan adverse impact on the environment, because the synthetic polymersare difficult to degrade naturally. Poly-Lactic Acid (PLA) is a biodegradable polymer that can be substituted to synthetic polymers. Since LDPE and PLA have a difference in polarity, therefore the first step of research is to graft them with maleic anhydride (MAH) for increasing the properties of its miscibility. The interaction between them is confirmed by FTIR; whereas the environment issueis characterized by the water adsorption and biodegradability. The FTIR spectra indicated that there had been an interaction between LDPE and MAH and LDPE/LDPE-g-MAH/PLA blend. Increasing PLA content in the blend affected to the increasing in their water absorption and biodegradable. Poly-blend with 20% PLA content was the optimum composition for environmentally food packaging.

  4. Contrast and Raman spectroscopy study of single- and few-layered charge density wave material: 2H-TaSe2

    Science.gov (United States)

    Hajiyev, Parviz; Cong, Chunxiao; Qiu, Caiyu; Yu, Ting

    2013-01-01

    In this article, we report the first successful preparation of single- and few-layers of tantalum diselenide (2H-TaSe2) by mechanical exfoliation technique. Number of layers is confirmed by white light contrast spectroscopy and atomic force microscopy (AFM). Vibrational properties of the atomically thin layers of 2H-TaSe2 are characterized by micro-Raman spectroscopy. Room temperature Raman measurements demonstrate MoS2-like spectral features, which are reliable for thickness determination. E1g mode, usually forbidden in backscattering Raman configuration is observed in the supported TaSe2 layers while disappears in the suspended layers, suggesting that this mode may be enabled because of the symmetry breaking induced by the interaction with the substrate. A systematic in-situ low temperature Raman study, for the first time, reveals the existence of incommensurate charge density wave phase transition in single and double-layered 2H-TaSe2 as reflected by a sudden softening of the second-order broad Raman mode resulted from the strong electron-phonon coupling (Kohn anomaly). PMID:24005335

  5. An In-situ materials analysis particle probe (MAPP) diagnostic to study particle density control and hydrogenic fuel retention in NSTX

    Energy Technology Data Exchange (ETDEWEB)

    Allain, Jean-Paul [Purdue Univ., West Lafayette, IN (United States)

    2014-09-05

    A new materials analysis particle probe (MAPP) was designed, constructed and tested to develop understanding of particle control and hydrogenic fuel retention in lithium-based plasma-facing surfaces in NSTX. The novel feature of MAPP is an in-situ tool to probe the divertor NSTX floor during LLD and lithium-coating shots with subsequent transport to a post-exposure in-vacuo surface analysis chamber to measure D retention. In addition, the implications of a lithiated graphite-dominated plasma-surface environment in NSTX on LLD performance, operation and ultimately hydrogenic pumping and particle control capability are investigated in this proposal. MAPP will be an invaluable tool for erosion/redeposition simulation code validation.

  6. Density functional investigation of mercury and arsenic adsorption on nitrogen doped graphene decorated with palladium clusters: A promising heavy metal sensing material in farmland

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Chunjiang, E-mail: zhaocj_nercita@163.com [National Engineering Research Center for Information Technology in Agriculture, Beijing 100097 (China); Beijing Research Center for Information Technology in Agriculture, Beijing Academy of Agriculture and Forestry Sciences, Beijing 100097 (China); Key Laboratory for Information Technologies in Agriculture, Ministry of Agriculture, Beijing100097 (China); Wu, Huarui, E-mail: wuhrnercita@163.com [National Engineering Research Center for Information Technology in Agriculture, Beijing 100097 (China); Beijing Research Center for Information Technology in Agriculture, Beijing Academy of Agriculture and Forestry Sciences, Beijing 100097 (China); Key Laboratory for Information Technologies in Agriculture, Ministry of Agriculture, Beijing100097 (China)

    2017-03-31

    Highlights: • PNG can be acted as micro-sensor for monitoring heavy metal in agriculture. • The most favorable adsorption site of Pd atom or cluster on PNG is the vacancy site. • The Pd atom or cluster enhance the reactivity of PNG toward Hg and AsH{sub 3} adsorption. • The efficiency of a sorbent can be tuned by tailoring the ε{sub d} of adsorbed metals. - Abstract: Density functional theory calculations are carried out to study the adsorption of mercury and arsenic on Pd{sub n} (n = 1–6) supported on pyridine-like nitrogen doped graphene (PNG). Owing to the promising sensitivity in trace amounts of atoms or molecules, PNG can be acted as micro-sensor for sensing heavy metals in agriculture soils. Through the analyses of structural and electronic properties of pristine PNG and Pd atom decorated PNG, we find that the most favorable adsorption site for Pd atom is the vacancy site. The analyses of structural and electronic properties reveal that the Pd atom or clusters can enhance the reactivity for Hg and AsH{sub 3} adsorption on PNG. The adsorption ability of Hg on Pd{sub n} decorated PNG is found to be related to the d-band center (ε{sub d}) of the Pd{sub n}, in which the closer ε{sub d} of Pd{sub n} to the Fermi level, the higher adsorption strength for Hg on Pd{sub n} decorated PNG. Moreover, the charge transfer between Pd{sub n} and arsenic may constitute arsenic adsorption on Pd{sub n} decorated PNG. Further design of highly efficient carbon based sorbents for heavy metals removal should be focused on tailoring ε{sub d} of adsorbed metals.

  7. Density functional investigation of mercury and arsenic adsorption on nitrogen doped graphene decorated with palladium clusters: A promising heavy metal sensing material in farmland

    International Nuclear Information System (INIS)

    Zhao, Chunjiang; Wu, Huarui

    2017-01-01

    Highlights: • PNG can be acted as micro-sensor for monitoring heavy metal in agriculture. • The most favorable adsorption site of Pd atom or cluster on PNG is the vacancy site. • The Pd atom or cluster enhance the reactivity of PNG toward Hg and AsH_3 adsorption. • The efficiency of a sorbent can be tuned by tailoring the ε_d of adsorbed metals. - Abstract: Density functional theory calculations are carried out to study the adsorption of mercury and arsenic on Pd_n (n = 1–6) supported on pyridine-like nitrogen doped graphene (PNG). Owing to the promising sensitivity in trace amounts of atoms or molecules, PNG can be acted as micro-sensor for sensing heavy metals in agriculture soils. Through the analyses of structural and electronic properties of pristine PNG and Pd atom decorated PNG, we find that the most favorable adsorption site for Pd atom is the vacancy site. The analyses of structural and electronic properties reveal that the Pd atom or clusters can enhance the reactivity for Hg and AsH_3 adsorption on PNG. The adsorption ability of Hg on Pd_n decorated PNG is found to be related to the d-band center (ε_d) of the Pd_n, in which the closer ε_d of Pd_n to the Fermi level, the higher adsorption strength for Hg on Pd_n decorated PNG. Moreover, the charge transfer between Pd_n and arsenic may constitute arsenic adsorption on Pd_n decorated PNG. Further design of highly efficient carbon based sorbents for heavy metals removal should be focused on tailoring ε_d of adsorbed metals.

  8. Fast-Rate Capable Electrode Material with Higher Energy Density than LiFePO4: 4.2V LiVPO4F Synthesized by Scalable Single-Step Solid-State Reaction.

    Science.gov (United States)

    Kim, Minkyung; Lee, Seongsu; Kang, Byoungwoo

    2016-03-01

    Use of compounds that contain fluorine (F) as electrode materials in lithium ion batteries has been considered, but synthesizing single-phase samples of these compounds is a difficult task. Here, it is demonstrated that a simple scalable single-step solid-state process with additional fluorine source can obtain highly pure LiVPO 4 F. The resulting material with submicron particles achieves very high rate capability ≈100 mAh g -1 at 60 C-rate (1-min discharge) and even at 200 C-rate (18 s discharge). It retains superior capacity, ≈120 mAh g -1 at 10 C charge/10 C discharge rate (6-min) for 500 cycles with >95% retention efficiency. Furthermore, LiVPO 4 F shows low polarization even at high rates leading to higher operating potential >3.45 V (≈3.6 V at 60 C-rate), so it achieves high energy density. It is demonstrated for the first time that highly pure LiVPO 4 F can achieve high power capability comparable to LiFePO 4 and much higher energy density (≈521 Wh g -1 at 20 C-rate) than LiFePO 4 even without nanostructured particles. LiVPO 4 F can be a real substitute of LiFePO 4.

  9. 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.

  10. Preparation, thermal and flammability properties of a novel form-stable phase change materials based on high density polyethylene/poly(ethylene-co-vinyl acetate)/organophilic montmorillonite nanocomposites/paraffin compounds

    International Nuclear Information System (INIS)

    Cai Yibing; Song Lei; He Qingliang; Yang Dandan; Hu Yuan

    2008-01-01

    The paraffin is one of important thermal energy storage materials with many desirable characteristics (i.e., high heat of fusion, varied phase change temperature, negligible supercooling, self-nucleating, no phase segregation and cheap, etc.), but has low thermal stability and flammable. Hence, a novel form-stable phase change materials (PCM) based on high density polyethylene (HDPE)/poly(ethylene-co-vinyl acetate) (EVA)/organophilic montmorillonite (OMT) nanocomposites and paraffin are prepared by twin-screw extruder technique. The structures of the HDPE-EVA/OMT nanocomposites and the form-stable PCM are evidenced by the X-ray diffraction (XRD), transmission electronic microscopy (TEM) and scanning electronic microscope (SEM). The results of XRD and TEM show that the HDPE-EVA/OMT nanocomposites form the ordered intercalated nanomorphology. The form-stable PCM consists of the paraffin, which acts as a dispersed phase change material and the HDPE-EVA/OMT nanocomposites, which acts as the supporting material. The paraffin disperses in the three-dimensional net structure formed by HDPE-EVA/OMT nanocomposites. The thermal stability, latent heat and flammability properties are characterized by thermogravimetry analysis (TGA), dynamic Fourier-transform infrared (FTIR), differential scanning calorimeter (DSC) and cone calorimeter, respectively. The TGA and dynamic FTIR analyses indicate that the incorporation of suitable amount of OMT into the form-stable PCM increase the thermal stability. The DSC results show that the latent heat of the form-stable PCM has a certain degree decrease. The cone calorimeter shows that the heat release rate (HRR) has remarkably decreases with loading of OMT in the form-stable PCM, contributing to the improved flammability properties

  11. 装填材料密度对侵彻膨胀弹终点效应的影响%Influence of Filling Material Density on Terminal Effect of PELE Projectile

    Institute of Scientific and Technical Information of China (English)

    尹建平; 王志军; 魏继允

    2011-01-01

    By building the model of the penetrator with enhanced lateral efficiency(PELE) and target of steel plate, LS-DYNA was used to simulate penetration of PELE filled copper, 2024-T3 aluminium and nylon against 4340 steel plate at the impact velocity of 1 500 m/s. The results show that the filling material has important influence on the producing of lateral efficiency. In a certain range, with the filling material density decreases, the lateral efficiency range becomes wider, and the remnant velocity after penetrating target becomes lesser.%在建立弹靶模型的基础上,采用有限元软件LS-DYNA分别对装填铜,2024-T3铝和尼龙的侵彻膨胀弹以1 500 m/s着靶速度侵彻4340钢靶板的过程进行了数值模拟.结果表明:装填材料对侵彻膨胀弹横向效应的产生有较大影响.一定范围内装填材料的密度越小,PELE速度变化缓慢,而且变化持续时间越长,穿透靶板后的残余速度越小,产生横向效应的区域越大.

  12. Physico-chemical characterization, density functional theory (DFT) studies and Hirshfeld surface analysis of a new organic optical material: 1H-benzo[d]imidazol-3-ium-2,4,6-trinitrobenzene-1,3 bis(olate)

    Science.gov (United States)

    Dhamodharan, P.; Sathya, K.; Dhandapani, M.

    2017-10-01

    A novel organic crystal, 1H-benzo[d]imidazol-3-ium-2,4,6-trinitrobenzene-1,3 bis(olate) (BITB), was synthesized. Single crystals of BITB were harvested by solution growth-slow evaporation technique. 1H and 13C NMR spectroscopic techniques were utilized to confirm the presence of various types of carbons and protons in BITB. Single crystal XRD confirms that BITB crystallizes in monoclinic system with a space group of P21/n. The suitability of this material for optical applications was assessed by optical absorption, transmittance, reflectance and refractive index spectroscopic techniques. Gaussian 09 program at B3LYP/6-311++G(d,p) level of basis set as used for the optimization of molecular structure of BITB. Greater first order hyperpolarizability value of BITB is due to intensive hydrogen bond network in the crystal. The value is 15 times greater than that of Urea, a reference standard. Computation of frontier molecular orbitals and electrostatic potential surface helped to understand the electron density and reactive sites in BITB. The material was thermally stable up to 220 °C. Hirshfeld surface analysis was performed to quantify the covalent and non covalent interactions.

  13. Ultra-High Density Spectral Storage Materials

    National Research Council Canada - National Science Library

    Hasan, Zameer U

    2002-01-01

    .... Being atomic scale storage, spectral storage has the potential of providing orders of magnitude denser memories than present day memories that depend on the hulk properties of the storage medium...

  14. Charge density waves in solids

    CERN Document Server

    Gor'kov, LP

    2012-01-01

    The latest addition to this series covers a field which is commonly referred to as charge density wave dynamics.The most thoroughly investigated materials are inorganic linear chain compounds with highly anisotropic electronic properties. The volume opens with an examination of their structural properties and the essential features which allow charge density waves to develop.The behaviour of the charge density waves, where interesting phenomena are observed, is treated both from a theoretical and an experimental standpoint. The role of impurities in statics and dynamics is considered and an

  15. Density functional theory

    International Nuclear Information System (INIS)

    Freyss, M.

    2015-01-01

    This chapter gives an introduction to first-principles electronic structure calculations based on the density functional theory (DFT). Electronic structure calculations have a crucial importance in the multi-scale modelling scheme of materials: not only do they enable one to accurately determine physical and chemical properties of materials, they also provide data for the adjustment of parameters (or potentials) in higher-scale methods such as classical molecular dynamics, kinetic Monte Carlo, cluster dynamics, etc. Most of the properties of a solid depend on the behaviour of its electrons, and in order to model or predict them it is necessary to have an accurate method to compute the electronic structure. DFT is based on quantum theory and does not make use of any adjustable or empirical parameter: the only input data are the atomic number of the constituent atoms and some initial structural information. The complicated many-body problem of interacting electrons is replaced by an equivalent single electron problem, in which each electron is moving in an effective potential. DFT has been successfully applied to the determination of structural or dynamical properties (lattice structure, charge density, magnetisation, phonon spectra, etc.) of a wide variety of solids. Its efficiency was acknowledged by the attribution of the Nobel Prize in Chemistry in 1998 to one of its authors, Walter Kohn. A particular attention is given in this chapter to the ability of DFT to model the physical properties of nuclear materials such as actinide compounds. The specificities of the 5f electrons of actinides will be presented, i.e., their more or less high degree of localisation around the nuclei and correlations. The limitations of the DFT to treat the strong 5f correlations are one of the main issues for the DFT modelling of nuclear fuels. Various methods that exist to better treat strongly correlated materials will finally be presented. (author)

  16. 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.)

  17. Concrete density estimation by rebound hammer method

    International Nuclear Information System (INIS)

    Ismail, Mohamad Pauzi bin; Masenwat, Noor Azreen bin; Sani, Suhairy bin; Mohd, Shukri; Jefri, Muhamad Hafizie Bin; Abdullah, Mahadzir Bin; Isa, Nasharuddin bin; Mahmud, Mohamad Haniza bin

    2016-01-01

    Concrete is the most common and cheap material for radiation shielding. Compressive strength is the main parameter checked for determining concrete quality. However, for shielding purposes density is the parameter that needs to be considered. X- and -gamma radiations are effectively absorbed by a material with high atomic number and high density such as concrete. The high strength normally implies to higher density in concrete but this is not always true. This paper explains and discusses the correlation between rebound hammer testing and density for concrete containing hematite aggregates. A comparison is also made with normal concrete i.e. concrete containing crushed granite

  18. Quantum coherent switch utilizing commensurate nanoelectrode and charge density periodicities

    Science.gov (United States)

    Harrison, Neil [Santa Fe, NM; Singleton, John [Los Alamos, NM; Migliori, Albert [Santa Fe, NM

    2008-08-05

    A quantum coherent switch having a substrate formed from a density wave (DW) material capable of having a periodic electron density modulation or spin density modulation, a dielectric layer formed onto a surface of the substrate that is orthogonal to an intrinsic wave vector of the DW material; and structure for applying an external spatially periodic electrostatic potential over the dielectric layer.

  19. Laboratory Density Functionals

    OpenAIRE

    Giraud, B. G.

    2007-01-01

    We compare several definitions of the density of a self-bound system, such as a nucleus, in relation with its center-of-mass zero-point motion. A trivial deconvolution relates the internal density to the density defined in the laboratory frame. This result is useful for the practical definition of density functionals.

  20. Density controlled carbon nanotube array electrodes

    Science.gov (United States)

    Ren, Zhifeng F [Newton, MA; Tu, Yi [Belmont, MA

    2008-12-16

    CNT materials comprising aligned carbon nanotubes (CNTs) with pre-determined site densities, catalyst substrate materials for obtaining them and methods for forming aligned CNTs with controllable densities on such catalyst substrate materials are described. The fabrication of films comprising site-density controlled vertically aligned CNT arrays of the invention with variable field emission characteristics, whereby the field emission properties of the films are controlled by independently varying the length of CNTs in the aligned array within the film or by independently varying inter-tubule spacing of the CNTs within the array (site density) are disclosed. The fabrication of microelectrode arrays (MEAs) formed utilizing the carbon nanotube material of the invention is also described.

  1. Nuclear fuel technology - Tank calibration and volume determination for nuclear materials accountancy - Part 6: Accurate in-tank determination of liquid density in accountancy tanks equipped with dip tubes

    International Nuclear Information System (INIS)

    2008-01-01

    ISO 18213 deals with the acquisition, standardization, analysis, and use of calibration data to determine liquid volumes in process tanks for accountability purposes. This part of ISO 18213 is complementary to the other parts, ISO 18213-1 (procedural overview), ISO 18213-2 (data standardization), ISO 18213-3 (statistical methods), ISO 18213-4 (slow bubbling rate), ISO 18213-5 (fast bubbling rate). The procedure described in this part of ISO 18213 is a two-step procedure. First, a liquid of known density is used to determine the vertical distance between the tips of the two probes (i.e. to calibrate their separation). The calibration step requires synchronous (or as nearly synchronous as possible) measurements of the pressure exerted at the tips of two probes by the calibration liquid in which they are submerged. The measurements obtained are used to make an accurate determination of probe separation. Second, the unknown density of the process liquid is determined with the aid of the probe separation calibration. The density-determination step also requires (nearly) synchronous measurements of the pressure exerted at the tips of two probes by the process liquid of unknown density. With careful technique, it is possible to make determinations of liquid density with in-tank measurements that approach the accuracy and precision of those made in the laboratory. Moreover, density determinations made with in-tank measurements are automatically made at the observed temperature of the tank liquid. Thus, no additional information about the liquid is required to infer its density at its tank temperature from determinations of its density at some other temperature. Except that the density of the process liquid is generally not well characterized, the steps involved in determining the height of process liquid in the tank are the same as those for determining the height of calibration liquid. Thus, the method of density determination given in this part of ISO 18213 is very

  2. Superconducting materials for large scale applications

    International Nuclear Information System (INIS)

    Dew-Hughes, D.

    1975-01-01

    Applications of superconductors capable of carrying large current densities in large-scale electrical devices are examined. Discussions are included on critical current density, superconducting materials available, and future prospects for improved superconducting materials. (JRD)

  3. Fast response densitometer for measuring liquid density

    Science.gov (United States)

    1972-01-01

    Densitometer was developed which produces linear voltage proportional to changes in density of flowing liquid hydrogen. Unit has fast response time and good system stability, statistical variation, and thermal equilibrium. System accuracy is 2 percent of total density span. Basic design may be altered to include measurement of other flowing materials.

  4. New Materials Design

    National Research Council Canada - National Science Library

    Voth, Gregory

    1999-01-01

    Progress has been made on several projects under the Challenge Project award. In the area of high energy density materials, calculations are under way on Al atoms embedded in clusters of H2 molecule...

  5. Moldable cork ablation material

    Science.gov (United States)

    1977-01-01

    A successful thermal ablative material was manufactured. Moldable cork sheets were tested for density, tensile strength, tensile elongation, thermal conductivity, compression set, and specific heat. A moldable cork sheet, therefore, was established as a realistic product.

  6. Densities of carbon foils

    International Nuclear Information System (INIS)

    Stoner, J.O. Jr.

    1991-01-01

    The densities of arc-evaporated carbon target foils have been measured by several methods. The density depends upon the method used to measure it; for the same surface density, values obtained by different measurement techniques may differ by fifty percent or more. The most reliable density measurements are by flotation, yielding a density of 2.01±0.03 g cm -3 , and interferometric step height with the surface density known from auxiliary measurements, yielding a density of 2.61±0.4 g cm -3 . The difference between these density values mayy be due in part to the compressive stresses that carbon films have while still on their substrates, uncertainties in the optical calibration of surface densities of carbon foils, and systematic errors in step-height measurements. Mechanical thickness measurements by micrometer caliper are unreliable due to nonplanarity of these foils. (orig.)

  7. Neutronic density perturbation by probes

    International Nuclear Information System (INIS)

    Vigon, M. A.; Diez, L.

    1956-01-01

    The introduction of absorbent materials of neutrons in diffuser media, produces local disturbances of neutronic density. The disturbance depends especially on the nature and size of the absorbent. Approximated equations which relates te disturbance and the distance to the absorbent in the case of thin disks have been drawn. The experimental comprobation has been carried out in two especial cases. In both cases the experimental results are in agreement with the calculated values from these equations. (Author)

  8. Statistical theory of electron densities

    International Nuclear Information System (INIS)

    Pratt, L.R.; Hoffman, G.G.; Harris, R.A.

    1988-01-01

    An optimized Thomas--Fermi theory is proposed which retains the simplicity of the original theory and is a suitable reference theory for Monte Carlo density functional treatments of condensed materials. The key ingredient of the optimized theory is a neighborhood sampled potential which contains effects of the inhomogeneities in the one-electron potential. In contrast to the traditional Thomas--Fermi approach, the optimized theory predicts a finite electron density in the vicinity of a nucleus. Consideration of the example of an ideal electron gas subject to a central Coulomb field indicates that implementation of the approach is straightforward. The optimized theory is found to fail completely when a classically forbidden region is approached. However, these circumstances are not of primary interest for calculations of interatomic forces. It is shown how the energy functional of the density may be constructed by integration of a generalized Hellmann--Feynman relation. This generalized Hellmann--Feynman relation proves to be equivalent to the variational principle of density functional quantum mechanics, and, therefore, the present density theory can be viewed as a variational consequence of the constructed energy functional

  9. Future Road Density

    Data.gov (United States)

    U.S. Environmental Protection Agency — Road density is generally highly correlated with amount of developed land cover. High road densities usually indicate high levels of ecological disturbance. More...

  10. Combined near- and far-field high-energy diffraction microscopy dataset for Ti-7Al tensile specimen elastically loaded in situ

    Energy Technology Data Exchange (ETDEWEB)

    Turner, Todd J.; Shade, Paul A.; Bernier, Joel V.; Li, Shiu Fai; Schuren, Jay C.; Lind, Jonathan; Lienert, Ulrich; Kenesei, Peter; Suter, Robert M.; Blank, Basil; Almer, Jonathan

    2016-03-18

    High-energy diffraction microscopy (HEDM) constitutes a suite of combined X-ray characterization methods, which hold the unique advantage of illuminating the microstructure and micromechanical state of a material during concurrent in situ mechanical deformation. The data generated from HEDM experiments provides a heretofore unrealized opportunity to validate meso-scale modeling techniques, such as crystal plasticity finite element modeling (CPFEM), by explicitly testing the accuracy of these models at the length scales where the models predict their response. Combining HEDM methods with in situ loading under known and controlled boundary conditions represents a significant challenge, inspiring the recent development of a new high-precision rotation and axial motion system for simultaneously rotating and axially loading a sample. In this paper, we describe the initial HEDM dataset collected using this hardware on an alpha-titanium alloy (Ti-7Al) under in situ tensile deformation at the Advanced Photon Source, Argonne National Laboratory. We present both near-field HEDM data that maps out the grain morphology and intragranular crystallographic orientations and far-field HEDM data that provides the grain centroid, grain average crystallographic orientation, and grain average elastic strain tensor for each grain. Finally, we provide a finite element mesh that can be utilized to simulate deformation in the volume of this Ti-7Al specimen. The dataset supporting this article is available in the National Institute of Standards and Technology (NIST) repository (http://hdl.handle.net/11256/599).

  11. Achieving maximum baryon densities

    International Nuclear Information System (INIS)

    Gyulassy, M.

    1984-01-01

    In continuing work on nuclear stopping power in the energy range E/sub lab/ approx. 10 GeV/nucleon, calculations were made of the energy and baryon densities that could be achieved in uranium-uranium collisions. Results are shown. The energy density reached could exceed 2 GeV/fm 3 and baryon densities could reach as high as ten times normal nuclear densities

  12. Crowding and Density

    Science.gov (United States)

    Design and Environment, 1972

    1972-01-01

    Three-part report pinpointing problems and uncovering solutions for the dual concepts of density (ratio of people to space) and crowding (psychological response to density). Section one, A Primer on Crowding,'' reviews new psychological and social findings; section two, Density in the Suburbs,'' shows conflict between status quo and increased…

  13. High density hydrogen research

    International Nuclear Information System (INIS)

    Hawke, R.S.

    1977-01-01

    The interest in the properties of very dense hydrogen is prompted by its abundance in Saturn and Jupiter and its importance in laser fusion studies. Furthermore, it has been proposed that the metallic form of hydrogen may be a superconductor at relatively high temperatures and/or exist in a metastable phase at ambient pressure. For ten years or more, laboratories have been developing the techniques to study hydrogen in the megabar region (1 megabar = 100 GPa). Three major approaches to study dense hydrogen experimentally have been used, static presses, shockwave compression, and magnetic compression. Static tchniques have crossed the megabar threshold in stiff materials but have not yet been convincingly successful in very compressible hydrogen. Single and double shockwave techniques have improved the precision of the pressure, volume, temperature Equation of State (EOS) of molecular hydrogen (deuterium) up to near 1 Mbar. Multiple shockwave and magnetic techniques have compressed hydrogen to several megabars and densities in the range of the metallic phase. The net result is that hydrogen becomes conducting at a pressure between 2 and 4 megabars. Hence, the possibility of making a significant amount of hydrogen into a metal in a static press remains a formidable challenge. The success of such experiments will hopefully answer the questions about hydrogen's metallic vs. conducting molecular phase, superconductivity, and metastability. 4 figures, 15 references

  14. Layered materials

    Science.gov (United States)

    Johnson, David; Clarke, Simon; Wiley, John; Koumoto, Kunihito

    2014-06-01

    Layered compounds, materials with a large anisotropy to their bonding, electrical and/or magnetic properties, have been important in the development of solid state chemistry, physics and engineering applications. Layered materials were the initial test bed where chemists developed intercalation chemistry that evolved into the field of topochemical reactions where researchers are able to perform sequential steps to arrive at kinetically stable products that cannot be directly prepared by other approaches. Physicists have used layered compounds to discover and understand novel phenomena made more apparent through reduced dimensionality. The discovery of charge and spin density waves and more recently the remarkable discovery in condensed matter physics of the two-dimensional topological insulating state were discovered in two-dimensional materials. The understanding developed in two-dimensional materials enabled subsequent extension of these and other phenomena into three-dimensional materials. Layered compounds have also been used in many technologies as engineers and scientists used their unique properties to solve challenging technical problems (low temperature ion conduction for batteries, easy shear planes for lubrication in vacuum, edge decorated catalyst sites for catalytic removal of sulfur from oil, etc). The articles that are published in this issue provide an excellent overview of the spectrum of activities that are being pursued, as well as an introduction to some of the most established achievements in the field. Clusters of papers discussing thermoelectric properties, electronic structure and transport properties, growth of single two-dimensional layers, intercalation and more extensive topochemical reactions and the interleaving of two structures to form new materials highlight the breadth of current research in this area. These papers will hopefully serve as a useful guideline for the interested reader to different important aspects in this field and

  15. Probability densities and Lévy densities

    DEFF Research Database (Denmark)

    Barndorff-Nielsen, Ole Eiler

    For positive Lévy processes (i.e. subordinators) formulae are derived that express the probability density or the distribution function in terms of power series in time t. The applicability of the results to finance and to turbulence is briefly indicated.......For positive Lévy processes (i.e. subordinators) formulae are derived that express the probability density or the distribution function in terms of power series in time t. The applicability of the results to finance and to turbulence is briefly indicated....

  16. High Tap Density Spherical Li[Ni0.5Mn0.3Co0.2]O2 Cathode Material Synthesized via Continuous Hydroxide Coprecipitation Method for Advanced Lithium-Ion Batteries

    Directory of Open Access Journals (Sweden)

    Shunyi Yang

    2012-01-01

    Full Text Available Spherical [Ni0.5Mn0.3Co0.2](OH2 precursor with narrow size distribution and high tap density has been successfully synthesized by a continuous hydroxide coprecipitation, and Li[Ni0.5Mn0.3Co0.2]O2 is then prepared by mixing the precursor with 6% excess Li2CO3 followed by calcinations. The tap density of the obtained Li[Ni0.5Mn0.3Co0.2]O2 powder is as high as 2.61 g cm−3. The powders are characterized by X-ray diffraction (XRD, X-ray photoelectron spectroscopy (XPS, scanning electron microscope (SEM, particle size distribution (PSD, and charge/discharge cycling. The XRD studies show that the prepared Li[Ni0.5Mn0.3Co0.2]O2 has a well-ordered layered structure without any impurity phases. Good packing properties of spherical secondary particles (about 12 μm consisted of a large number of tiny-thin plate-shape primary particles (less than 1 μm, which can be identified from the SEM observations. In the voltage range of 3.0–4.3 V and 2.5–4.6 V, Li[Ni0.5Mn0.3Co0.2]O2 delivers the initial discharge capacity of approximately 175 and 214 mAh g−1 at a current density of 32 mA g−1, and the capacity retention after 50 cycles reaches 98.8% and 90.2%, respectively. Besides, it displays good high-temperature characteristics and excellent rate capability.

  17. Development of optimum process for electron beam cross-linking of high density polyethylene thermal energy storage pellets, process scale-up and production of application qualities of material

    Science.gov (United States)

    Salyer, I. O.

    1980-01-01

    The electron irradiation conditions required to prepare thermally from stable high density polyethylene (HDPE) were defined. The conditions were defined by evaluating the heat of fusion and the melting temperature of several HDPE specimens. The performance tests conducted on the specimens, including the thermal cycling tests in the thermal energy storage unit are described. The electron beam irradiation tests performed on the specimens, in which the total radiation dose received by the pellets, the electron beam current, the accelerating potential, and the atmospheres were varied, are discussed.

  18. Why Density Dependent Propulsion?

    Science.gov (United States)

    Robertson, Glen A.

    2011-01-01

    In 2004 Khoury and Weltman produced a density dependent cosmology theory they call the Chameleon, as at its nature, it is hidden within known physics. The Chameleon theory has implications to dark matter/energy with universe acceleration properties, which implies a new force mechanism with ties to the far and local density environment. In this paper, the Chameleon Density Model is discussed in terms of propulsion toward new propellant-less engineering methods.

  19. Density limits in Tokamaks

    International Nuclear Information System (INIS)

    Tendler, M.

    1984-06-01

    The energy loss from a tokamak plasma due to neutral hydrogen radiation and recycling is of great importance for the energy balance at the periphery. It is shown that the requirement for thermal equilibrium implies a constraint on the maximum attainable edge density. The relation to other density limits is discussed. The average plasma density is shown to be a strong function of the refuelling deposition profile. (author)

  20. Nuclear Level Densities

    International Nuclear Information System (INIS)

    Grimes, S.M.

    2005-01-01

    Recent research in the area of nuclear level densities is reviewed. The current interest in nuclear astrophysics and in structure of nuclei off of the line of stability has led to the development of radioactive beam facilities with larger machines currently being planned. Nuclear level densities for the systems used to produce the radioactive beams influence substantially the production rates of these beams. The modification of level-density parameters near the drip lines would also affect nucleosynthesis rates and abundances

  1. True density and apparent density during the drying process for vegetables and fruits: a review.

    Science.gov (United States)

    Rodríguez-Ramírez, J; Méndez-Lagunas, L; López-Ortiz, A; Torres, S Sandoval

    2012-12-01

    This review presents the concepts involved in determining the density of foodstuffs, and summarizes the volumetric determination techniques used to calculate true density and apparent density in foodstuffs exposed to the drying process. The behavior of density with respect to moisture content (X) and drying temperature (T) is presented and explained with a basis in changes in structure, conformation, chemical composition, and second-order phase changes that occur in the processes of mass and heat transport, as reported to date in the literature. A review of the empirical and theoretical equations that represent density is presented, and their application in foodstuffs is discussed. This review also addresses cases with nonideal density behavior, including variations in ρ(s) and ρ(w) as a function of the inside temperature of the material, depending on drying conditions (X, T). A compilation of studies regarding the density of dehydrated foodstuffs is also presented. © 2012 Institute of Food Technologists®

  2. Measurement of true density

    International Nuclear Information System (INIS)

    Carr-Brion, K.G.; Keen, E.F.

    1982-01-01

    System for determining the true density of a fluent mixture such as a liquid slurry, containing entrained gas, such as air comprises a restriction in pipe through which at least a part of the mixture is passed. Density measuring means such as gamma-ray detectors and source measure the apparent density of the mixture before and after its passage through the restriction. Solid-state pressure measuring devices are arranged to measure the pressure in the mixture before and after its passage through the restriction. Calculating means, such as a programmed microprocessor, determine the true density from these measurements using relationships given in the description. (author)

  3. Amplification of the discharge current density of lithium-ion batteries with spinel phase Li(PtAu)0.02Mn1.98O4 nano-materials

    CSIR Research Space (South Africa)

    Ross, N

    2014-05-01

    Full Text Available -ion batteries (LIB) was synthesized by incorporation of the Pt-Au (1:1) nanoparticles onto the spinel phase LiMn(sub2)O(sub4). Ultra-low scan rate (0.01 mV (sups-1)) cyclic voltammetry of the cathode material in 1 M LiPF(sub6) (in 1:1 EC:DMC), showed four sets...

  4. High density fuel storage rack

    International Nuclear Information System (INIS)

    Zezza, L.J.

    1980-01-01

    High storage density for spent nuclear fuel assemblies in a pool achieved by positioning fuel storage cells of high thermal neutron absorption materials in an upright configuration in a rack. The rack holds the cells at required pitch. Each cell carries an internal fuel assembly support, and most cells are vertically movable in the rack so that they rest on the pool bottom. Pool water circulation through the cells and around the fuel assemblies is permitted by circulation openings at the top and bottom of the cells above and below the fuel assemblies

  5. High resolution studies of the origins of polyatomic ions in inductively coupled plasma-mass spectrometry, Part I. Identification methods and effects of neutral gas density assumptions, extraction voltage, and cone material

    International Nuclear Information System (INIS)

    Ferguson, Jill Wisnewski; Houk, R.S.

    2006-01-01

    Common polyatomic ions (ArO + , NO + , H 2 O + , H 3 O + , Ar 2 + , ArN + , OH + , ArH + , O 2 + ) in inductively coupled plasma-mass spectrometry (ICP-MS) are identified using high mass resolution and studied using kinetic gas temperatures (T gas ) determined from a dissociation reaction approach. Methods for making accurate mass measurements, confirming ion identifications, and correcting for mass bias are discussed. The effects of sampler and skimmer cone composition and extraction voltage on polyatomic ion formation are also explored. Neutral species densities at several locations in the extraction interface are estimated and the corresponding effects of the T gas value are calculated. The results provide information about the origins of background ions and indicate possible locations for their formation or removal

  6. On density forecast evaluation

    NARCIS (Netherlands)

    Diks, C.

    2008-01-01

    Traditionally, probability integral transforms (PITs) have been popular means for evaluating density forecasts. For an ideal density forecast, the PITs should be uniformly distributed on the unit interval and independent. However, this is only a necessary condition, and not a sufficient one, as

  7. Learning Grasp Affordance Densities

    DEFF Research Database (Denmark)

    Detry, Renaud; Kraft, Dirk; Kroemer, Oliver

    2011-01-01

    and relies on kernel density estimation to provide a continuous model. Grasp densities are learned and refined from exploration, by letting a robot “play” with an object in a sequence of graspand-drop actions: The robot uses visual cues to generate a set of grasp hypotheses; it then executes......We address the issue of learning and representing object grasp affordance models. We model grasp affordances with continuous probability density functions (grasp densities) which link object-relative grasp poses to their success probability. The underlying function representation is nonparametric...... these and records their outcomes. When a satisfactory number of grasp data is available, an importance-sampling algorithm turns these into a grasp density. We evaluate our method in a largely autonomous learning experiment run on three objects of distinct shapes. The experiment shows how learning increases success...

  8. Current density tensors

    Science.gov (United States)

    Lazzeretti, Paolo

    2018-04-01

    It is shown that nonsymmetric second-rank current density tensors, related to the current densities induced by magnetic fields and nuclear magnetic dipole moments, are fundamental properties of a molecule. Together with magnetizability, nuclear magnetic shielding, and nuclear spin-spin coupling, they completely characterize its response to magnetic perturbations. Gauge invariance, resolution into isotropic, deviatoric, and antisymmetric parts, and contributions of current density tensors to magnetic properties are discussed. The components of the second-rank tensor properties are rationalized via relationships explicitly connecting them to the direction of the induced current density vectors and to the components of the current density tensors. The contribution of the deviatoric part to the average value of magnetizability, nuclear shielding, and nuclear spin-spin coupling, uniquely determined by the antisymmetric part of current density tensors, vanishes identically. The physical meaning of isotropic and anisotropic invariants of current density tensors has been investigated, and the connection between anisotropy magnitude and electron delocalization has been discussed.

  9. Dictionary materials engineering, materials testing

    International Nuclear Information System (INIS)

    1994-01-01

    This dictionary contains about 9,500 entries in each part of the following fields: 1) Materials using and selection; 2) Mechanical engineering materials -Metallic materials - Non-metallic inorganic materials - Plastics - Composites -Materials damage and protection; 3) Electrical and electronics materials -Conductor materials - Semiconductors - magnetic materials - Dielectric materials - non-conducting materials; 4) Materials testing - Mechanical methods - Analytical methods - Structure investigation - Complex methods - Measurement of physical properties - Non-destructive testing. (orig.) [de

  10. Intrinsic-density functionals

    International Nuclear Information System (INIS)

    Engel, J.

    2007-01-01

    The Hohenberg-Kohn theorem and Kohn-Sham procedure are extended to functionals of the localized intrinsic density of a self-bound system such as a nucleus. After defining the intrinsic-density functional, we modify the usual Kohn-Sham procedure slightly to evaluate the mean-field approximation to the functional, and carefully describe the construction of the leading corrections for a system of fermions in one dimension with a spin-degeneracy equal to the number of particles N. Despite the fact that the corrections are complicated and nonlocal, we are able to construct a local Skyrme-like intrinsic-density functional that, while different from the exact functional, shares with it a minimum value equal to the exact ground-state energy at the exact ground-state intrinsic density, to next-to-leading order in 1/N. We briefly discuss implications for real Skyrme functionals

  11. Low Density Supersonic Decelerators

    Data.gov (United States)

    National Aeronautics and Space Administration — The Low-Density Supersonic Decelerator project will demonstrate the use of inflatable structures and advanced parachutes that operate at supersonic speeds to more...

  12. density functional theory approach

    Indian Academy of Sciences (India)

    YOGESH ERANDE

    2017-07-27

    Jul 27, 2017 ... a key role in all optical switching devices, since their optical properties can be .... optimized in the gas phase using Density Functional Theory. (DFT).39 The ...... The Mediation of Electrostatic Effects by Sol- vents J. Am. Chem.

  13. Bone mineral density test

    Science.gov (United States)

    BMD test; Bone density test; Bone densitometry; DEXA scan; DXA; Dual-energy x-ray absorptiometry; p-DEXA; Osteoporosis - BMD ... need to undress. This scan is the best test to predict your risk of fractures, especially of ...

  14. Density scaling for multiplets

    International Nuclear Information System (INIS)

    Nagy, A

    2011-01-01

    Generalized Kohn-Sham equations are presented for lowest-lying multiplets. The way of treating non-integer particle numbers is coupled with an earlier method of the author. The fundamental quantity of the theory is the subspace density. The Kohn-Sham equations are similar to the conventional Kohn-Sham equations. The difference is that the subspace density is used instead of the density and the Kohn-Sham potential is different for different subspaces. The exchange-correlation functional is studied using density scaling. It is shown that there exists a value of the scaling factor ζ for which the correlation energy disappears. Generalized OPM and Krieger-Li-Iafrate (KLI) methods incorporating correlation are presented. The ζKLI method, being as simple as the original KLI method, is proposed for multiplets.

  15. Fission level densities

    International Nuclear Information System (INIS)

    Maslov, V.M.

    1998-01-01

    Fission level densities (or fissioning nucleus level densities at fission saddle deformations) are required for statistical model calculations of actinide fission cross sections. Back-shifted Fermi-Gas Model, Constant Temperature Model and Generalized Superfluid Model (GSM) are widely used for the description of level densities at stable deformations. These models provide approximately identical level density description at excitations close to the neutron binding energy. It is at low excitation energies that they are discrepant, while this energy region is crucial for fission cross section calculations. A drawback of back-shifted Fermi gas model and traditional constant temperature model approaches is that it is difficult to include in a consistent way pair correlations, collective effects and shell effects. Pair, shell and collective properties of nucleus do not reduce just to the renormalization of level density parameter a, but influence the energy dependence of level densities. These effects turn out to be important because they seem to depend upon deformation of either equilibrium or saddle-point. These effects are easily introduced within GSM approach. Fission barriers are another key ingredients involved in the fission cross section calculations. Fission level density and barrier parameters are strongly interdependent. This is the reason for including fission barrier parameters along with the fission level densities in the Starter File. The recommended file is maslov.dat - fission barrier parameters. Recent version of actinide fission barrier data obtained in Obninsk (obninsk.dat) should only be considered as a guide for selection of initial parameters. These data are included in the Starter File, together with the fission barrier parameters recommended by CNDC (beijing.dat), for completeness. (author)

  16. Density-wave oscillations

    International Nuclear Information System (INIS)

    Belblidia, L.A.; Bratianu, C.

    1979-01-01

    Boiling flow in a steam generator, a water-cooled reactor, and other multiphase processes can be subject to instabilities. It appears that the most predominant instabilities are the so-called density-wave oscillations. They can cause difficulties for three main reasons; they may induce burnout; they may cause mechanical vibrations of components; and they create system control problems. A comprehensive review is presented of experimental and theoretical studies concerning density-wave oscillations. (author)

  17. Density of liquid Ytterbium

    International Nuclear Information System (INIS)

    Stankus, S.V.; Basin, A.S.

    1983-01-01

    Results are presented for measurements of the density of metallic ytterbium in the liquid state and at the liquid-solid phase transition. Based on the numerical data obtained, the coefficient of thermal expansion βZ of the liquid and the density discontinuity on melting deltarho/sub m/ are calculated. The magnitudes of βZ and deltarho/sub m/ for the heavy lanthanides are compared

  18. Negative Ion Density Fronts

    International Nuclear Information System (INIS)

    Igor Kaganovich

    2000-01-01

    Negative ions tend to stratify in electronegative plasmas with hot electrons (electron temperature Te much larger than ion temperature Ti, Te > Ti ). The boundary separating a plasma containing negative ions, and a plasma, without negative ions, is usually thin, so that the negative ion density falls rapidly to zero-forming a negative ion density front. We review theoretical, experimental and numerical results giving the spatio-temporal evolution of negative ion density fronts during plasma ignition, the steady state, and extinction (afterglow). During plasma ignition, negative ion fronts are the result of the break of smooth plasma density profiles during nonlinear convection. In a steady-state plasma, the fronts are boundary layers with steepening of ion density profiles due to nonlinear convection also. But during plasma extinction, the ion fronts are of a completely different nature. Negative ions diffuse freely in the plasma core (no convection), whereas the negative ion front propagates towards the chamber walls with a nearly constant velocity. The concept of fronts turns out to be very effective in analysis of plasma density profile evolution in strongly non-isothermal plasmas

  19. Modelling of thermoelectric materials

    DEFF Research Database (Denmark)

    Bjerg, Lasse

    In order to discover new good thermoelectric materials, there are essentially two ways. One way is to go to the laboratory, synthesise a new material, and measure the thermoelectric properties. The amount of compounds, which can be investigated this way is limited because the process is time...... consuming. Another approach is to model the thermoelectric properties of a material on a computer. Several crystal structures can be investigated this way without use of much man power. I have chosen the latter approach. Using density functional theory I am able to calculate the band structure of a material....... This band structure I can then use to calculate the thermoelectric properties of the material. With these results I have investigated several materials and found the optimum theoretical doping concentration. If materials with these doping concentrations be synthesised, considerably better thermoelectric...

  20. Material Science

    Energy Technology Data Exchange (ETDEWEB)

    Won, Dong Yeon; Kim, Heung

    1987-08-15

    This book introduces material science, which includes key of a high-tech industry, new materials of dream like new metal material and semiconductor, classification of materials, microstructure of materials and characteristic. It mentions magic new materials such as shape memory alloy, fine ceramics, engineering fine ceramics, electronic ceramics, engineering plastic, glass, silicone conductor, optical fiber mixed materials and integrated circuit, challenge for new material and development of new materials.

  1. Material Science

    International Nuclear Information System (INIS)

    Won, Dong Yeon; Kim, Heung

    1987-08-01

    This book introduces material science, which includes key of a high-tech industry, new materials of dream like new metal material and semiconductor, classification of materials, microstructure of materials and characteristic. It mentions magic new materials such as shape memory alloy, fine ceramics, engineering fine ceramics, electronic ceramics, engineering plastic, glass, silicone conductor, optical fiber mixed materials and integrated circuit, challenge for new material and development of new materials.

  2. Materials and material testing

    International Nuclear Information System (INIS)

    Joergens, H.

    1978-01-01

    A review based on 105 literature quotations is given on the latest state of development in the steel sector and in the field of non-ferrous metals and plastics. The works quoted also include, preparation, working, welding including simulation methods, improvement of weldability, material mechanics (explanation of defects mechanisms by means of fracture mechanics), defect causes (corrosion, erosion, hydrogen influence), mechanical-technological and non-destructive material testing. Examples from the field of reactor building are also given within there topics. (IHOE) [de

  3. Probability density function method for variable-density pressure-gradient-driven turbulence and mixing

    International Nuclear Information System (INIS)

    Bakosi, Jozsef; Ristorcelli, Raymond J.

    2010-01-01

    Probability density function (PDF) methods are extended to variable-density pressure-gradient-driven turbulence. We apply the new method to compute the joint PDF of density and velocity in a non-premixed binary mixture of different-density molecularly mixing fluids under gravity. The full time-evolution of the joint PDF is captured in the highly non-equilibrium flow: starting from a quiescent state, transitioning to fully developed turbulence and finally dissipated by molecular diffusion. High-Atwood-number effects (as distinguished from the Boussinesq case) are accounted for: both hydrodynamic turbulence and material mixing are treated at arbitrary density ratios, with the specific volume, mass flux and all their correlations in closed form. An extension of the generalized Langevin model, originally developed for the Lagrangian fluid particle velocity in constant-density shear-driven turbulence, is constructed for variable-density pressure-gradient-driven flows. The persistent small-scale anisotropy, a fundamentally 'non-Kolmogorovian' feature of flows under external acceleration forces, is captured by a tensorial diffusion term based on the external body force. The material mixing model for the fluid density, an active scalar, is developed based on the beta distribution. The beta-PDF is shown to be capable of capturing the mixing asymmetry and that it can accurately represent the density through transition, in fully developed turbulence and in the decay process. The joint model for hydrodynamics and active material mixing yields a time-accurate evolution of the turbulent kinetic energy and Reynolds stress anisotropy without resorting to gradient diffusion hypotheses, and represents the mixing state by the density PDF itself, eliminating the need for dubious mixing measures. Direct numerical simulations of the homogeneous Rayleigh-Taylor instability are used for model validation.

  4. Measuring Air Density in the Introductory Lab

    Science.gov (United States)

    Calza, G.; Gratton, L. M.; Lopez-Arias, T.; Oss, S.

    2010-01-01

    The measurement of the mass, or the density, of air can easily be done with very simple materials and offers many interesting phenomena for discussion--buoyancy and its effects being the most obvious but not the only one. Many interesting considerations can be done regarding the behavior of gases, the effect of the external conditions in the…

  5. Relativistic density functional for nuclear structure

    CERN Document Server

    2016-01-01

    This book aims to provide a detailed introduction to the state-of-the-art covariant density functional theory, which follows the Lorentz invariance from the very beginning and is able to describe nuclear many-body quantum systems microscopically and self-consistently. Covariant density functional theory was introduced in nuclear physics in the 1970s and has since been developed and used to describe the diversity of nuclear properties and phenomena with great success. In order to provide an advanced and updated textbook of covariant density functional theory for graduate students and nuclear physics researchers, this book summarizes the enormous amount of material that has accumulated in the field of covariant density functional theory over the last few decades as well as the latest developments in this area. Moreover, the book contains enough details for readers to follow the formalism and theoretical results, and provides exhaustive references to explore the research literature.

  6. CRISS power spectral density

    International Nuclear Information System (INIS)

    Vaeth, W.

    1979-04-01

    The correlation of signal components at different frequencies like higher harmonics cannot be detected by a normal power spectral density measurement, since this technique correlates only components at the same frequency. This paper describes a special method for measuring the correlation of two signal components at different frequencies: the CRISS power spectral density. From this new function in frequency analysis, the correlation of two components can be determined quantitatively either they stem from one signal or from two diverse signals. The principle of the method, suitable for the higher harmonics of a signal as well as for any other frequency combinations is shown for the digital frequency analysis technique. Two examples of CRISS power spectral densities demonstrates the operation of the new method. (orig.) [de

  7. High density dispersion fuel

    International Nuclear Information System (INIS)

    Hofman, G.L.

    1996-01-01

    A fuel development campaign that results in an aluminum plate-type fuel of unlimited LEU burnup capability with an uranium loading of 9 grams per cm 3 of meat should be considered an unqualified success. The current worldwide approved and accepted highest loading is 4.8 g cm -3 with U 3 Si 2 as fuel. High-density uranium compounds offer no real density advantage over U 3 Si 2 and have less desirable fabrication and performance characteristics as well. Of the higher-density compounds, U 3 Si has approximately a 30% higher uranium density but the density of the U 6 X compounds would yield the factor 1.5 needed to achieve 9 g cm -3 uranium loading. Unfortunately, irradiation tests proved these peritectic compounds have poor swelling behavior. It is for this reason that the authors are turning to uranium alloys. The reason pure uranium was not seriously considered as a dispersion fuel is mainly due to its high rate of growth and swelling at low temperatures. This problem was solved at least for relatively low burnup application in non-dispersion fuel elements with small additions of Si, Fe, and Al. This so called adjusted uranium has nearly the same density as pure α-uranium and it seems prudent to reconsider this alloy as a dispersant. Further modifications of uranium metal to achieve higher burnup swelling stability involve stabilization of the cubic γ phase at low temperatures where normally α phase exists. Several low neutron capture cross section elements such as Zr, Nb, Ti and Mo accomplish this in various degrees. The challenge is to produce a suitable form of fuel powder and develop a plate fabrication procedure, as well as obtain high burnup capability through irradiation testing

  8. Gap and density theorems

    CERN Document Server

    Levinson, N

    1940-01-01

    A typical gap theorem of the type discussed in the book deals with a set of exponential functions { \\{e^{{{i\\lambda}_n} x}\\} } on an interval of the real line and explores the conditions under which this set generates the entire L_2 space on this interval. A typical gap theorem deals with functions f on the real line such that many Fourier coefficients of f vanish. The main goal of this book is to investigate relations between density and gap theorems and to study various cases where these theorems hold. The author also shows that density- and gap-type theorems are related to various propertie

  9. Nuclear level density

    International Nuclear Information System (INIS)

    Cardoso Junior, J.L.

    1982-10-01

    Experimental data show that the number of nuclear states increases rapidly with increasing excitation energy. The properties of highly excited nuclei are important for many nuclear reactions, mainly those that go via processes of the compound nucleus type. In this case, it is sufficient to know the statistical properties of the nuclear levels. First of them is the function of nuclear levels density. Several theoretical models which describe the level density are presented. The statistical mechanics and a quantum mechanics formalisms as well as semi-empirical results are analysed and discussed. (Author) [pt

  10. Polarizable Density Embedding

    DEFF Research Database (Denmark)

    Olsen, Jógvan Magnus Haugaard; Steinmann, Casper; Ruud, Kenneth

    2015-01-01

    We present a new QM/QM/MM-based model for calculating molecular properties and excited states of solute-solvent systems. We denote this new approach the polarizable density embedding (PDE) model and it represents an extension of our previously developed polarizable embedding (PE) strategy. The PDE...... model is a focused computational approach in which a core region of the system studied is represented by a quantum-chemical method, whereas the environment is divided into two other regions: an inner and an outer region. Molecules belonging to the inner region are described by their exact densities...

  11. Holographic magnetisation density waves

    Energy Technology Data Exchange (ETDEWEB)

    Donos, Aristomenis [Centre for Particle Theory and Department of Mathematical Sciences, Durham University,Stockton Road, Durham, DH1 3LE (United Kingdom); Pantelidou, Christiana [Departament de Fisica Quantica i Astrofisica & Institut de Ciencies del Cosmos (ICC),Universitat de Barcelona,Marti i Franques 1, 08028 Barcelona (Spain)

    2016-10-10

    We numerically construct asymptotically AdS black brane solutions of D=4 Einstein theory coupled to a scalar and two U(1) gauge fields. The solutions are holographically dual to d=3 CFTs in a constant external magnetic field along one of the U(1)’s. Below a critical temperature the system’s magnetisation density becomes inhomogeneous, leading to spontaneous formation of current density waves. We find that the transition can be of second order and that the solutions which minimise the free energy locally in the parameter space of solutions have averaged stressed tensor of a perfect fluid.

  12. Basic concepts of Density Functional Theory: Electronic structure calculation

    International Nuclear Information System (INIS)

    Sharma, B. Indrajit

    2016-01-01

    We are looking for a material which possesses the required properties as demanded for technological applications. For this we have to repeat the preparation of the appropriate materials and its characterizations. So, before proceeding to experiments, one can study on computer generated structure and predict the properties of the desired material. To do this, a concept of Density Functional Theory comes out. (paper)

  13. Ferrite materials for memory applications

    CERN Document Server

    Saravanan, R

    2017-01-01

    The book discusses the synthesis and characterization of various ferrite materials used for memory applications. The distinct feature of the book is the construction of charge density of ferrites by deploying the maximum entropy method (MEM). This charge density gives the distribution of charges in the ferrite unit cell, which is analyzed for charge related properties.

  14. A Tryst With Density

    Indian Academy of Sciences (India)

    best known for developing the density functional theory (DFT). This is an extremely ... lem that has become famous in popular culture is that of the planet. Tatooine. Fans of ... the Schrödinger equation (or, if relativistic effects are important, the Dirac .... it supplies a moral justification for one's subsequent endeav- ours along ...

  15. Density in Liquids.

    Science.gov (United States)

    Nesin, Gert; Barrow, Lloyd H.

    1984-01-01

    Describes a fourth-grade unit on density which introduces a concept useful in the study of chemistry and procedures appropriate to the chemistry laboratory. The hands-on activities, which use simple equipment and household substances, are at the level of thinking Piaget describes as concrete operational. (BC)

  16. Destiny from density

    OpenAIRE

    Seewaldt, Victoria L.

    2012-01-01

    The identification of a signalling protein that regulates the accumulation of fat and connective tissue in breasts may help to explain why high mammographic density is linked to breast-cancer risk and may provide a marker for predicting this risk.

  17. Polarizable Density Embedding

    DEFF Research Database (Denmark)

    Reinholdt, Peter; Kongsted, Jacob; Olsen, Jógvan Magnus Haugaard

    2017-01-01

    We analyze the performance of the polarizable density embedding (PDE) model-a new multiscale computational approach designed for prediction and rationalization of general molecular properties of large and complex systems. We showcase how the PDE model very effectively handles the use of large...

  18. Density-density functionals and effective potentials in many-body electronic structure calculations

    International Nuclear Information System (INIS)

    Reboredo, Fernando A.; Kent, Paul R.

    2008-01-01

    We demonstrate the existence of different density-density functionals designed to retain selected properties of the many-body ground state in a non-interacting solution starting from the standard density functional theory ground state. We focus on diffusion quantum Monte Carlo applications that require trial wave functions with optimal Fermion nodes. The theory is extensible and can be used to understand current practices in several electronic structure methods within a generalized density functional framework. The theory justifies and stimulates the search of optimal empirical density functionals and effective potentials for accurate calculations of the properties of real materials, but also cautions on the limits of their applicability. The concepts are tested and validated with a near-analytic model.

  19. Electrically conductive composite material

    Science.gov (United States)

    Clough, Roger L.; Sylwester, Alan P.

    1989-01-01

    An electrically conductive composite material is disclosed which comprises a conductive open-celled, low density, microcellular carbon foam filled with a non-conductive polymer or resin. The composite material is prepared in a two-step process consisting of first preparing the microcellular carbon foam from a carbonizable polymer or copolymer using a phase separation process, then filling the carbon foam with the desired non-conductive polymer or resin. The electrically conductive composites of the present invention has a uniform and consistant pattern of filler distribution, and as a result is superior over prior art materials when used in battery components, electrodes, and the like.

  20. Properties of plastic filtration material

    Energy Technology Data Exchange (ETDEWEB)

    Paluch, W.

    1988-01-01

    Discusses properties of filters made of thermoplastic granulated material. The granulated plastic has a specific density of 10.3-10.6 kN/m/sup 3/ and a bulk density of about 6 kN/m/sup 3/. Its chemical resistance to acids, bases and salts is high but is it soluble in organic solvents. Filters made of this material are characterized by a porosity coefficient of 36.5% and a bulk density of 5.7-6.8 kN/m/sup 3/. Physical and mechanical properties of filter samples made of thermoplastic granulated material (50x50x50 mm) were investigated under laboratory conditions. Compression strength and influencing factors were analyzed (ambient temperature, manufacturing technology). Tests show that this filtration material developed by Poltegor is superior to other filtration materials used in Poland.

  1. density functional theory (DFT)

    Indian Academy of Sciences (India)

    1Advanced Materials and Nano-Research Centre, Najran University, Najran, ... Its stability and reactivity were also examined by using HOMO–LUMO gap, molecular orbital analysis ... as superhalogens, that are especially important oxidizers.

  2. High density grids

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, Aina E.; Baxter, Elizabeth L.

    2018-01-16

    An X-ray data collection grid device is provided that includes a magnetic base that is compatible with robotic sample mounting systems used at synchrotron beamlines, a grid element fixedly attached to the magnetic base, where the grid element includes at least one sealable sample window disposed through a planar synchrotron-compatible material, where the planar synchrotron-compatible material includes at least one automated X-ray positioning and fluid handling robot fiducial mark.

  3. Quantal density functional theory

    CERN Document Server

    Sahni, Viraht

    2016-01-01

    This book deals with quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter. The treated time-independent QDFT constitutes a special case. In the 2nd edition, the theory is extended to include the presence of external magnetostatic fields. The theory is a description of matter based on the ‘quantal Newtonian’ first and second laws which is in terms of “classical” fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of electron correlations due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, correlation-current-density, and correlation-magnetic effects. The book further describes Schrödinger theory from the new physical perspective of fields and quantal sources. It also describes traditional Hohenberg-Kohn-Sham DFT, and explains via QDFT the physics underlying the various energy functionals and functional derivatives o...

  4. Discrete density of states

    International Nuclear Information System (INIS)

    Aydin, Alhun; Sisman, Altug

    2016-01-01

    By considering the quantum-mechanically minimum allowable energy interval, we exactly count number of states (NOS) and introduce discrete density of states (DOS) concept for a particle in a box for various dimensions. Expressions for bounded and unbounded continua are analytically recovered from discrete ones. Even though substantial fluctuations prevail in discrete DOS, they're almost completely flattened out after summation or integration operation. It's seen that relative errors of analytical expressions of bounded/unbounded continua rapidly decrease for high NOS values (weak confinement or high energy conditions), while the proposed analytical expressions based on Weyl's conjecture always preserve their lower error characteristic. - Highlights: • Discrete density of states considering minimum energy difference is proposed. • Analytical DOS and NOS formulas based on Weyl conjecture are given. • Discrete DOS and NOS functions are examined for various dimensions. • Relative errors of analytical formulas are much better than the conventional ones.

  5. Discrete density of states

    Energy Technology Data Exchange (ETDEWEB)

    Aydin, Alhun; Sisman, Altug, E-mail: sismanal@itu.edu.tr

    2016-03-22

    By considering the quantum-mechanically minimum allowable energy interval, we exactly count number of states (NOS) and introduce discrete density of states (DOS) concept for a particle in a box for various dimensions. Expressions for bounded and unbounded continua are analytically recovered from discrete ones. Even though substantial fluctuations prevail in discrete DOS, they're almost completely flattened out after summation or integration operation. It's seen that relative errors of analytical expressions of bounded/unbounded continua rapidly decrease for high NOS values (weak confinement or high energy conditions), while the proposed analytical expressions based on Weyl's conjecture always preserve their lower error characteristic. - Highlights: • Discrete density of states considering minimum energy difference is proposed. • Analytical DOS and NOS formulas based on Weyl conjecture are given. • Discrete DOS and NOS functions are examined for various dimensions. • Relative errors of analytical formulas are much better than the conventional ones.

  6. Density dependent effective interactions

    International Nuclear Information System (INIS)

    Dortmans, P.J.; Amos, K.

    1994-01-01

    An effective nucleon-nucleon interaction is defined by an optimal fit to select on-and half-off-of-the-energy shell t-and g-matrices determined by solutions of the Lippmann-Schwinger and Brueckner-Bethe-Goldstone equations with the Paris nucleon-nucleon interaction as input. As such, it is seen to better reproduce the interaction on which it is based than other commonly used density dependent effective interactions. The new (medium modified) effective interaction when folded with appropriate density matrices, has been used to define proton- 12 C and proton- 16 O optical potentials. With them elastic scattering data are well fit and the medium effects identifiable. 23 refs., 8 figs

  7. Variable Kernel Density Estimation

    OpenAIRE

    Terrell, George R.; Scott, David W.

    1992-01-01

    We investigate some of the possibilities for improvement of univariate and multivariate kernel density estimates by varying the window over the domain of estimation, pointwise and globally. Two general approaches are to vary the window width by the point of estimation and by point of the sample observation. The first possibility is shown to be of little efficacy in one variable. In particular, nearest-neighbor estimators in all versions perform poorly in one and two dimensions, but begin to b...

  8. Density oscillations within hadrons

    International Nuclear Information System (INIS)

    Arnold, R.; Barshay, S.

    1976-01-01

    In models of extended hadrons, in which small bits of matter carrying charge and effective mass exist confined within a medium, oscillations in the matter density may occur. A way of investigating this possibility experimentally in high-energy hadron-hadron elastic diffraction scattering is suggested, and the effect is illustrated by examining some existing data which might be relevant to the question [fr

  9. Optical materials

    International Nuclear Information System (INIS)

    Poker, D.B.; Ortiz, C.

    1989-01-01

    This book reports on: Diamond films, Synthesis of optical materials, Structure related optical properties, Radiation effects in optical materials, Characterization of optical materials, Deposition of optical thin films, and Optical fibers and waveguides

  10. Toward a Redefinition of Density

    Science.gov (United States)

    Rapoport, Amos

    1975-01-01

    This paper suggests that in addition to the recent work indicating that crowding is a subjective phenomenon, an adequate definition of density must also include a subjective component since density is a complex phenomenon in itself. Included is a discussion of both physical density and perceived density. (Author/MA)

  11. Density measures and additive property

    OpenAIRE

    Kunisada, Ryoichi

    2015-01-01

    We deal with finitely additive measures defined on all subsets of natural numbers which extend the asymptotic density (density measures). We consider a class of density measures which are constructed from free ultrafilters on natural numbers and study a certain additivity property of such density measures.

  12. Precision measurements of linear scattering density using muon tomography

    Science.gov (United States)

    Åström, E.; Bonomi, G.; Calliari, I.; Calvini, P.; Checchia, P.; Donzella, A.; Faraci, E.; Forsberg, F.; Gonella, F.; Hu, X.; Klinger, J.; Sundqvist Ökvist, L.; Pagano, D.; Rigoni, A.; Ramous, E.; Urbani, M.; Vanini, S.; Zenoni, A.; Zumerle, G.

    2016-07-01

    We demonstrate that muon tomography can be used to precisely measure the properties of various materials. The materials which have been considered have been extracted from an experimental blast furnace, including carbon (coke) and iron oxides, for which measurements of the linear scattering density relative to the mass density have been performed with an absolute precision of 10%. We report the procedures that are used in order to obtain such precision, and a discussion is presented to address the expected performance of the technique when applied to heavier materials. The results we obtain do not depend on the specific type of material considered and therefore they can be extended to any application.

  13. Strategic Materials

    National Research Council Canada - National Science Library

    Buhler, Carl; Burke, Adrian; Davis, Kirk; Gerhard, Michelle; Heil, Valerie; Hulse, Richard; Kwong, Ralph; Mahoney, Michael; Moran, Scott; Peek, Michael

    2006-01-01

    Some materials possess greater value than others. Materials that provide essential support for the nation's economic viability or enable critical military capabilities warrant special attention in security studies...

  14. Insertion material for controlling reactivity

    International Nuclear Information System (INIS)

    Baba, Iwao.

    1994-01-01

    Moderators and a group of suspended materials having substantially the same density as the moderator are sealed in a hollow rod vertically inserted to a fuel assembly. Specifically, the group of suspended materials is adapted to have a density changing stepwise from density of the moderator at the exit temperature of the reactor core to that at the inlet temperature of the reactor core. Reactivity is selectively controlled for a portion of high power and a portion of high reactivity by utilizing the density of the moderator and the distribution of the density. That is, if the power distribution is flat, the density of the moderators changes at a constant rate over the vertical direction of the reactor core and the suspended materials stay at a portion of the same density, to form a uniform distribution. Further, upon reactor shutdown, since the liquid temperature of the moderators is lowered and the density is increased, all of beads are collected at the upper portion to remove water at the upper portion of the reactor core of low burnup degree thereby selectively controlling the reactivity at a portion of high power and a portion of high reactivity. (N.H.)

  15. Electrode/Dielectric Strip For High-Energy-Density Capacitor

    Science.gov (United States)

    Yen, Shiao-Ping S.

    1994-01-01

    Improved unitary electrode/dielectric strip serves as winding in high-energy-density capacitor in pulsed power supply. Offers combination of qualities essential for high energy density: high permittivity of dielectric layers, thinness, and high resistance to breakdown of dielectric at high electric fields. Capacitors with strip material not impregnated with liquid.

  16. 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...

  17. Carbon Nanotube Spaceframes for Low-Density Aerospace Materials

    Science.gov (United States)

    2012-01-26

    different types of oxidative etching chemistries have been reported in the literature, with acidic conditions such as nitric acid etching and piranha...and reduce the production of adhered fulvic acid species.1 A range of RCA type different etching conditions were investigated involving different...carboxylic and hydroxyl type sites together by first using a dicarboxylic acid (preferably in a highly reactive form such as oxalic chloride or succinic

  18. Molecular Design of Low-Density Multifunctional Hybrid Materials

    Science.gov (United States)

    2016-01-01

    scale inversely with the isoelectric point ( IEP ) of the underlying surface (Fig. 19). If the IEP of the substrate surface (e.g. metal oxide) or sol...gel solution ion is less than the solution pH, the surface will take on a net negative charge; conversely, for IEP values greater than the solution pH...as a function of substrate IEP . 1 2 3 4 5 6 7 8 9 10 11 0 10 20 30 40 50 60 70 C ri ti c a l F ra c tu re E n e rg y , G C ( J m -2

  19. The Search for New High-Energy-Density Materials

    Science.gov (United States)

    2014-01-01

    Evolution of the superhalogen properties in PtCln clusters“, J. Chem. Phys. (in press). Behera, S. and Jena, P.: “Stability and Spectroscopic Properties...Society, Cocoa Beach, FL, February 21-25, 2010 US-Egypt Advanced Studies Institute (ASI) on “Nanomaterials and Nanocatalysis for Energy

  20. Low-dislocation-density epitatial layers grown by defect filtering by self-assembled layers of spheres

    Science.gov (United States)

    Wang, George T.; Li, Qiming

    2013-04-23

    A method for growing low-dislocation-density material atop a layer of the material with an initially higher dislocation density using a monolayer of spheroidal particles to bend and redirect or directly block vertically propagating threading dislocations, thereby enabling growth and coalescence to form a very-low-dislocation-density surface of the material, and the structures made by this method.

  1. Hazy increased density in diffuse lung disease

    International Nuclear Information System (INIS)

    Klein, J.S.; Webb, W.R.; Gamsu, G.; Warnock, M.; Park, C.K.

    1989-01-01

    In order to determine the significance of ground glass density on high-resolution CT scans of patients with idiopathic pulmonary fibrosis and other lung disorders, the authors have reviewed 200 high-resolution CT studies and found 50 cases demonstrating areas of hazy increased lung density. Disease entities most often associated with this finding included DIP, UIP, alveolar proteinosis, sarcoidosis, and bronchiolitis obliterans/ organizing pneumonia. Pathologic examination revealed either cellular or fluid material lining terminal air spaces, often associated with alveolar wall infiltration and an absence of fibrosis. Gallium scans and bronchoalveolar lavage in some cases showed active inflammation Follow-up high-resolution CT studies in 10 patients showed either change or resolution of the hazy densities, confirming the presence of a reversible parenchymal lesion

  2. Gamma irradiation effects in low density polyethylene

    International Nuclear Information System (INIS)

    Ono, Lilian S.; Scagliusi, Sandra R.; Cardoso, Elisabeth E.L.; Lugao, Ademar B.

    2011-01-01

    Low density polyethylene (LDPE) is obtained from ethylene gas polymerization, being one of the most commercialized polymers due to its versatility and low cost. It's a semi-crystalline polymer, usually inactive at room temperature, capable to attain temperatures within a 80 deg C - 100 deg C range, without changing its physical-chemical properties. LDPE has more resistance when compared to its equivalent High Density Polyethylene (HDPE). LDPE most common applications consist in manufacturing of laboratory materials, general containers, pipes, plastic bags, etc. Gamma radiation is used on polymers in order to modify mechanical and physical-chemical features according to utility purposes. This work aims to the study of gamma (γ) radiation interaction with low density polyethylene to evaluate changes in its physical-chemical properties. Polymer samples were exposed to 5, 10, 15, 20 and 30kGy doses, at room temperature. Samples characterization employed Thermal Analysis, Melt Flow Index, Infrared Spectroscopy and Swelling tests. (author)

  3. Density Distribution Sunflower Plots

    Directory of Open Access Journals (Sweden)

    William D. Dupont

    2003-01-01

    Full Text Available Density distribution sunflower plots are used to display high-density bivariate data. They are useful for data where a conventional scatter plot is difficult to read due to overstriking of the plot symbol. The x-y plane is subdivided into a lattice of regular hexagonal bins of width w specified by the user. The user also specifies the values of l, d, and k that affect the plot as follows. Individual observations are plotted when there are less than l observations per bin as in a conventional scatter plot. Each bin with from l to d observations contains a light sunflower. Other bins contain a dark sunflower. In a light sunflower each petal represents one observation. In a dark sunflower, each petal represents k observations. (A dark sunflower with p petals represents between /2-pk k and /2+pk k observations. The user can control the sizes and colors of the sunflowers. By selecting appropriate colors and sizes for the light and dark sunflowers, plots can be obtained that give both the overall sense of the data density distribution as well as the number of data points in any given region. The use of this graphic is illustrated with data from the Framingham Heart Study. A documented Stata program, called sunflower, is available to draw these graphs. It can be downloaded from the Statistical Software Components archive at http://ideas.repec.org/c/boc/bocode/s430201.html . (Journal of Statistical Software 2003; 8 (3: 1-5. Posted at http://www.jstatsoft.org/index.php?vol=8 .

  4. Air shower density spectrum

    International Nuclear Information System (INIS)

    Porter, M.R.; Foster, J.M.; Hodson, A.L.; Hazen, W.E.; Hendel, A.Z.; Bull, R.M.

    1982-01-01

    Measurements of the differential local density spectrum have been made using a 1 m 2 discharge chamber mounted in the Leeds discharge chamber array. The results are fitted to a power law of the form h(δ)dδ = kδsup(-ν)dδ, where ν=2.47+-0.04; k=0.21 s - 1 , for 7 m - 2 - 2 ; ν=2.90+-0.22; k=2.18 s - 1 , for δ > 200 m - 2 . Details of the measurement techniques are given with particular reference to the treatment of closely-spaced discharges. A comparison of these results with previous experiments using different techniques is made

  5. Non-linear optical materials

    CERN Document Server

    Saravanan, R

    2018-01-01

    Non-linear optical materials have widespread and promising applications, but the efforts to understand the local structure, electron density distribution and bonding is still lacking. The present work explores the structural details, the electron density distribution and the local bond length distribution of some non-linear optical materials. It also gives estimation of the optical band gap, the particle size, crystallite size, and the elemental composition from UV-Visible analysis, SEM, XRD and EDS of some non-linear optical materials respectively.

  6. Density separation of boron particles. Final report

    International Nuclear Information System (INIS)

    Smith, R.M.

    1980-04-01

    A density distribution much broader than expected was observed in lots of natural boron powder supplied by two different sources. The material in both lots was found to have a rhombohedral crystal structure, and the only other parameters which seemed to account for such a distribution were impurities within the crystal structure and varying isotopic ratios. A separation technique was established to isolate boron particles in narrow densty ranges. The isolated fractions were subsequently analyzed for B 10 and total boron content in an effort to determine whether selective isotopic enrichment and nonhomogeneous impurity distribution were the causes for the broad density distribution of the boron powders. It was found that although the B 10 content remained nearly constant around 18%, the total boron content varied from 37.5 to 98.7%. One of the lots also was found to contain an apparently high level of alpha rhombohedral boron which broadened the density distribution considerably. During this work, a capability for removing boron particles containing gross amounts of impurities and, thereby, improving the overall purity of the remaining material was developed. In addition, the separation technique used in this study apparently isolated particles with alpha and beta rhombohedral crystal structures, although the only supporting evidence is density data

  7. Gluon density in nuclei

    International Nuclear Information System (INIS)

    Ayala, A.L.

    1996-01-01

    In this talk we present our detailed study (theory and numbers) on the shadowing corrections to the gluon structure functions for nuclei. Starting from rather controversial information on the nucleon structure function which is originated by the recent HERA data, we develop the Glauber approach for the gluon density in a nucleus based on Mueller formula and estimate the value of the shadowing corrections in this case. Then we calculate the first corrections to the Glauber approach and show that these corrections are big. Based on this practical observation we suggest the new evolution equation which takes into account the shadowing corrections and solve it. We hope to convince you that the new evolution equation gives a good theoretical tool to treat the shadowing corrections for the gluons density in a nucleus and, therefore, it is able to provide the theoretically reliable initial conditions for the time evolution of the nucleus-nucleus cascade. The initial conditions should be fixed both theoretically and phenomenologically before to attack such complicated problems as the mixture of hard and soft processes in nucleus-nucleus interactions at high energy or the theoretically reliable approach to hadron or/and parton cascades for high energy nucleus-nucleus interaction. 35 refs., 24 figs., 1 tab

  8. Framatome offers new high density Cadminox racks

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

    Framatome have developed a new material called Cadminox for use in high density spent fuel storage racks. It is claimed that Cadminox will remain stable stable in pond storage when racks submerged in boronated water are irradiated by the spent fuel they contain. A brief description of the storage module is given, including the aseismic bearing device which minimises loads on pond walls, racks and fuel assemblies. (UK)

  9. Density imaging of volcanos with atmospheric muons

    OpenAIRE

    Fehr , F.

    2011-01-01

    collaboration : TOMUVOL; International audience; Their capability to penetrate large depths of material renders high-energy atmospheric muons a unique probe for geophysical explorations. Provided the topography of the target is known, the measurement of the attenuation of the muon flux permits the cartography of matter density distributions revealing spatial and possibly also temporal variations in extended geological structures. A Collaboration between volcanologists, astroparticle- and part...

  10. Materials Chemistry

    CERN Document Server

    Fahlman, Bradley D

    2011-01-01

    The 2nd edition of Materials Chemistry builds on the strengths that were recognized by a 2008 Textbook Excellence Award from the Text and Academic Authors Association (TAA). Materials Chemistry addresses inorganic-, organic-, and nano-based materials from a structure vs. property treatment, providing a suitable breadth and depth coverage of the rapidly evolving materials field. The 2nd edition continues to offer innovative coverage and practical perspective throughout. After briefly defining materials chemistry and its history, seven chapters discuss solid-state chemistry, metals, semiconducting materials, organic "soft" materials, nanomaterials, and materials characterization. All chapters have been thoroughly updated and expanded with, for example, new sections on ‘soft lithographic’ patterning, ‘click chemistry’ polymerization, nanotoxicity, graphene, as well as many biomaterials applications. The polymer and ‘soft’ materials chapter represents the largest expansion for the 2nd edition. Each ch...

  11. Anomalous evolution of Ar metastable density with electron density in high density Ar discharge

    International Nuclear Information System (INIS)

    Park, Min; Chang, Hong-Young; You, Shin-Jae; Kim, Jung-Hyung; Shin, Yong-Hyeon

    2011-01-01

    Recently, an anomalous evolution of argon metastable density with plasma discharge power (electron density) was reported [A. M. Daltrini, S. A. Moshkalev, T. J. Morgan, R. B. Piejak, and W. G. Graham, Appl. Phys. Lett. 92, 061504 (2008)]. Although the importance of the metastable atom and its density has been reported in a lot of literature, however, a basic physics behind the anomalous evolution of metastable density has not been clearly understood yet. In this study, we investigated a simple global model to elucidate the underlying physics of the anomalous evolution of argon metastable density with the electron density. On the basis of the proposed simple model, we reproduced the anomalous evolution of the metastable density and disclosed the detailed physics for the anomalous result. Drastic changes of dominant mechanisms for the population and depopulation processes of Ar metastable atoms with electron density, which take place even in relatively low electron density regime, is the clue to understand the result.

  12. Density-Functional formalism

    International Nuclear Information System (INIS)

    Szasz, L.; Berrios-Pagan, I.; McGinn, G.

    1975-01-01

    A new Density-Functional formula is constructed for atoms. The kinetic energy of the electron is divided into two parts: the kinetic self-energy and the orthogonalization energy. Calculations were made for the total energies of neutral atoms, positive ions and for the He isoelectronic series. For neutral atoms the results match the Hartree-Fock energies within 1% for atoms with N 36 the results generally match the HF energies within 0.1%. For positive ions the results are fair; for the molecular applications a simplified model is developed in which the kinetic energy consists of the Weizsaecker term plus the Fermi energy reduced by a continuous function. (orig.) [de

  13. Density functional theory: Foundations reviewed

    Energy Technology Data Exchange (ETDEWEB)

    Kryachko, Eugene S., E-mail: eugene.kryachko@ulg.ac.be [Bogolyubov Institute for Theoretical Physics, Kiev, 03680 (Ukraine); Ludeña, Eduardo V., E-mail: popluabe@yahoo.es [Centro de Química, Instituto Venezolano de Investigaciones Científicas, IVIC, Apartado 21827, Caracas 1020-A (Venezuela, Bolivarian Republic of); Prometheus Program, Senescyt (Ecuador); Grupo Ecuatoriano para el Estudio Experimental y Teórico de Nanosistemas, GETNano, USFQ, N104-E, Quito (Ecuador); Escuela Politécnica Superior del Litoral, ESPOL, Guayaquil (Ecuador)

    2014-11-10

    Guided by the above motto (quotation), we review a broad range of issues lying at the foundations of Density Functional Theory, DFT, a theory which is currently omnipresent in our everyday computational study of atoms and molecules, solids and nano-materials, and which lies at the heart of modern many-body computational technologies. The key goal is to demonstrate that there are definitely the ways to improve DFT. We start by considering DFT in the larger context provided by reduced density matrix theory (RDMT) and natural orbital functional theory (NOFT), and examine the implications that N-representability conditions on the second-order reduced density matrix (2-RDM) have not only on RDMT and NOFT but, also, by extension, on the functionals of DFT. This examination is timely in view of the fact that necessary and sufficient N-representability conditions on the 2-RDM have recently been attained. In the second place, we review some problems appearing in the original formulation of the first Hohenberg–Kohn theorem which is still a subject of some controversy. In this vein we recall Lieb’s comment on this proof and the extension to this proof given by Pino et al. (2009), and in this context examine the conditions that must be met in order that the one-to-one correspondence between ground-state densities and external potentials remains valid for finite subspaces (namely, the subspaces where all Kohn–Sham solutions are obtained in practical applications). We also consider the issue of whether the Kohn–Sham equations can be derived from basic principles or whether they are postulated. We examine this problem in relation to ab initio DFT. The possibility of postulating arbitrary Kohn–Sham-type equations, where the effective potential is by definition some arbitrary mixture of local and non-local terms, is discussed. We also deal with the issue of whether there exists a universal functional, or whether one should advocate instead the construction of problem

  14. Stochastic transport models for mixing in variable-density turbulence

    Science.gov (United States)

    Bakosi, J.; Ristorcelli, J. R.

    2011-11-01

    In variable-density (VD) turbulent mixing, where very-different- density materials coexist, the density fluctuations can be an order of magnitude larger than their mean. Density fluctuations are non-negligible in the inertia terms of the Navier-Stokes equation which has both quadratic and cubic nonlinearities. Very different mixing rates of different materials give rise to large differential accelerations and some fundamentally new physics that is not seen in constant-density turbulence. In VD flows material mixing is active in a sense far stronger than that applied in the Boussinesq approximation of buoyantly-driven flows: the mass fraction fluctuations are coupled to each other and to the fluid momentum. Statistical modeling of VD mixing requires accounting for basic constraints that are not important in the small-density-fluctuation passive-scalar-mixing approximation: the unit-sum of mass fractions, bounded sample space, and the highly skewed nature of the probability densities become essential. We derive a transport equation for the joint probability of mass fractions, equivalent to a system of stochastic differential equations, that is consistent with VD mixing in multi-component turbulence and consistently reduces to passive scalar mixing in constant-density flows.

  15. Hormonal Determinants of Mammographic Density

    National Research Council Canada - National Science Library

    Simpson, Jennifer K; Modugno, Francemary; Weissfeld, Joel L; Kuller, Lewis; Vogel, Victor; Constantino, Joseph P

    2005-01-01

    .... However, not all women on HRT will experience an increase in breast density. We propose a novel hypothesis to explain in part the individual variability in breast density seen among women on HRT...

  16. Advanced superconducting materials

    International Nuclear Information System (INIS)

    Fluekiger, R.

    1983-11-01

    The superconducting properties of various materials are reviewed in view of their use in high field magnets. The critical current densities above 12 T of conductors based on NbN or PbMo 6 S 8 are compared to those of the most advanced practical conductors based on alloyed by Nb 3 Sn. Different aspects of the mechanical reinforcement of high field conductors, rendered necessary by the strong Lorentz forces (e.g. in fusion magnets), are discussed. (orig.) [de

  17. Density limit in ASDEX discharges with peaked density profiles

    International Nuclear Information System (INIS)

    Staebler, A.; Niedermeyer, H.; Loch, R.; Mertens, V.; Mueller, E.R.; Soeldner, F.X.; Wagner, F.

    1989-01-01

    Results concerning the density limit in OH and NI-heated ASDEX discharges with the usually observed broad density profiles have been reported earlier: In ohmic discharges with high q a (q-cylindrical is used throughout this paper) the Murakami parameter (n e R/B t ) is a good scaling parameter. At the high densities edge cooling is observed causing the plasma to shrink until an m=2-instability terminates the discharge. When approaching q a =2 the density limit is no longer proportional to I p ; a minimum exists in n e,max (q a ) at q a ∼2.15. With NI-heating the density limit increases less than proportional to the heating power; the behaviour during the pre-disruptive phase is rather similar to the one of OH discharges. There are specific operating regimes on ASDEX leading to discharges with strongly peaked density profiles: the improved ohmic confinement regime, counter neutral injection, and multipellet injection. These regimes are characterized by enhanced energy and particle confinement. The operational limit in density for these discharges is, therefore, of great interest having furthermore in mind that high central densities are favourable in achieving high fusion yields. In addition, further insight into the mechanisms of the density limit observed in tokamaks may be obtained by comparing plasmas with rather different density profiles at their maximum attainable densities. 7 refs., 2 figs

  18. Contrast Materials

    Science.gov (United States)

    ... is mixed with water before administration liquid paste tablet When iodine-based and barium-sulfate contrast materials ... for patients with kidney failure or allergies to MRI and/or computed tomography (CT) contrast material. Microbubble ...

  19. Chemical theory and modelling through density across length scales

    International Nuclear Information System (INIS)

    Ghosh, Swapan K.

    2016-01-01

    One of the concepts that has played a major role in the conceptual as well as computational developments covering all the length scales of interest in a number of areas of chemistry, physics, chemical engineering and materials science is the concept of single-particle density. Density functional theory has been a versatile tool for the description of many-particle systems across length scales. Thus, in the microscopic length scale, an electron density based description has played a major role in providing a deeper understanding of chemical binding in atoms, molecules and solids. Density concept has been used in the form of single particle number density in the intermediate mesoscopic length scale to obtain an appropriate picture of the equilibrium and dynamical processes, dealing with a wide class of problems involving interfacial science and soft condensed matter. In the macroscopic length scale, however, matter is usually treated as a continuous medium and a description using local mass density, energy density and other related property density functions has been found to be quite appropriate. The basic ideas underlying the versatile uses of the concept of density in the theory and modelling of materials and phenomena, as visualized across length scales, along with selected illustrative applications to some recent areas of research on hydrogen energy, soft matter, nucleation phenomena, isotope separation, and separation of mixture in condensed phase, will form the subject matter of the talk. (author)

  20. Dirac materials

    OpenAIRE

    Wehling, T. O.; Black-Schaffer, A. M.; Balatsky, A. V.

    2014-01-01

    A wide range of materials, like d-wave superconductors, graphene, and topological insulators, share a fundamental similarity: their low-energy fermionic excitations behave as massless Dirac particles rather than fermions obeying the usual Schrodinger Hamiltonian. This emergent behavior of Dirac fermions in condensed matter systems defines the unifying framework for a class of materials we call "Dirac materials''. In order to establish this class of materials, we illustrate how Dirac fermions ...

  1. Magnetic Materials

    Science.gov (United States)

    Spaldin, Nicola A.

    2003-04-01

    Magnetic materials are the foundation of multi-billion dollar industries and the focus of intensive research across many disciplines. This book covers the fundamentals, basic theories and applications of magnetism and conventional magnetic materials. Based on a lecture course given by Nicola Spaldin in the Materials Department at University of California, Santa Barbara, the book is ideal for a one- semester course in magnetic materials. It contains numerous homework problems and solutions.

  2. Smoothing densities under shape constraints

    OpenAIRE

    Davies, Paul Laurie; Meise, Monika

    2009-01-01

    In Davies and Kovac (2004) the taut string method was proposed for calculating a density which is consistent with the data and has the minimum number of peaks. The main disadvantage of the taut string density is that it is piecewise constant. In this paper a procedure is presented which gives a smoother density by minimizing the total variation of a derivative of the density subject to the number, positions and heights of the local extreme values obtained from the taut string density. 2...

  3. Electron Density Calibration for Radiotherapy Treatment Planning

    International Nuclear Information System (INIS)

    Herrera-Martinez, F.; Rodriguez-Villafuerte, M.; Martinez-Davalos, A.; Ruiz-Trejo, C.; Celis-Lopez, M. A.; Larraga-Gutierrez, J. M.; Garcia-Garduno, A.

    2006-01-01

    Computed tomography (CT) images are used as basic input data for most modern radiosurgery treatment planning systems (TPS). CT data not only provide anatomic information to delineate target volumes, but also allow the introduction of corrections for tissue inhomogeneities into dose calculations during the treatment planning procedure. These corrections involve the determination of a relationship between tissue electron density (ρe) and their corresponding Hounsfield Units (HU). In this work, an elemental analysis of different commercial tissue equivalent materials using Scanning Electron Microscopy was carried out to characterize their chemical composition. The tissue equivalent materials were chosen to ensure a large range of ρe to be included in the CT scanner calibration. A phantom was designed and constructed with these materials to simulate the size of a human head

  4. Composite materials

    International Nuclear Information System (INIS)

    Sambrook, D.J.

    1976-01-01

    A superconductor composite is described comprising at least one longitudinally extending superconductor filament or bundle of sub-filaments, each filament or bundle of sub-filaments being surrounded by and in good electrical contact with a matrix material, the matrix material comprising a plurality of longitudinally extending cells of a metal of high electrical conductivity surrounded by a material of lower electrical conductivity. The high electrical conductivity material surrounding the superconducting filament or bundle of sub-filaments is interrupted by a radially extending wall of the material of the lower electrical conductivity, the arrangement being such that at least two superconductor filaments or sub-filaments are circumferentially circumscribed by a single annulus of the material of high electrical conductivity. The annulus is electrically interrupted by a radially extending wall of the material of low electrical conductivity

  5. Aerospace materials and material technologies

    CERN Document Server

    Wanhill, R

    2017-01-01

    This book is a comprehensive compilation of chapters on materials (both established and evolving) and material technologies that are important for aerospace systems. It considers aerospace materials in three Parts. Part I covers Metallic Materials (Mg, Al, Al-Li, Ti, aero steels, Ni, intermetallics, bronzes and Nb alloys); Part II deals with Composites (GLARE, PMCs, CMCs and Carbon based CMCs); and Part III considers Special Materials. This compilation has ensured that no important aerospace material system is ignored. Emphasis is laid in each chapter on the underlying scientific principles as well as basic and fundamental mechanisms leading to processing, characterization, property evaluation and applications. A considerable amount of materials data is compiled and presented in appendices at the end of the book. This book will be useful to students, researchers and professionals working in the domain of aerospace materials.

  6. Method of sintering ceramic materials

    Science.gov (United States)

    Holcombe, Cressie E.; Dykes, Norman L.

    1992-01-01

    A method for sintering ceramic materials is described. A ceramic article is coated with layers of protective coatings such as boron nitride, graphite foil, and niobium. The coated ceramic article is embedded in a container containing refractory metal oxide granules and placed within a microwave oven. The ceramic article is heated by microwave energy to a temperature sufficient to sinter the ceramic article to form a densified ceramic article having a density equal to or greater than 90% of theoretical density.

  7. Effect of mix proportion of high density concrete on compressive strength, density and radiation absorption

    International Nuclear Information System (INIS)

    Noor Azreen Masenwat; Mohamad Pauzi Ismail; Suhairy Sani; Ismail Mustapha; Nasharuddin Isa; Mohamad Haniza Mahmud; Mohammad Shahrizan Samsu

    2014-01-01

    To prevent radiation leaks at nuclear reactors, high-density concrete is used as an absorbent material for radiation from spreading into the environment. High-density concrete is a mixture of cement, sand, aggregate (usually high-density minerals) and water. In this research, hematite stone is used because of its mineral density higher than the granite used in conventional concrete mixing. Mix concrete in this study were divided into part 1 and part 2. In part 1, the concrete mixture is designed with the same ratio of 1: 2: 4 but differentiated in terms of water-cement ratio (0.60, 0.65, 0.70, 0.75, 0.80 ). Whereas, in part 2, the concrete mixture is designed to vary the ratio of 1: 1: 2, 1: 1.5: 3, 1: 2: 3, 1: 3: 6, 1: 2: 6 with water-cement ratio (0.7, 0.8, 0.85, 0.9). In each section, the division has also performed in a mixture of sand and fine sand hematite. Then, the physical characteristics of the density and the compressive strength of the mixture of part 1 and part 2 is measured. Comparisons were also made in terms of absorption of radiation by Cs-137 and Co-60 source for each mix. This paper describes and discusses the relationship between the concrete mixture ratio, the relationship with the water-cement ratio, compressive strength, density, different mixture of sand and fine sand hematite. (author)

  8. High-Power-Density, High-Energy-Density Fluorinated Graphene for Primary Lithium Batteries

    Directory of Open Access Journals (Sweden)

    Guiming Zhong

    2018-03-01

    Full Text Available Li/CFx is one of the highest-energy-density primary batteries; however, poor rate capability hinders its practical applications in high-power devices. Here we report a preparation of fluorinated graphene (GFx with superior performance through a direct gas fluorination method. We find that the so-called “semi-ionic” C-F bond content in all C-F bonds presents a more critical impact on rate performance of the GFx in comparison with sp2 C content in the GFx, morphology, structure, and specific surface area of the materials. The rate capability remains excellent before the semi-ionic C-F bond proportion in the GFx decreases. Thus, by optimizing semi-ionic C-F content in our GFx, we obtain the optimal x of 0.8, with which the GF0.8 exhibits a very high energy density of 1,073 Wh kg−1 and an excellent power density of 21,460 W kg−1 at a high current density of 10 A g−1. More importantly, our approach opens a new avenue to obtain fluorinated carbon with high energy densities without compromising high power densities.

  9. Materials Discovery | Materials Science | NREL

    Science.gov (United States)

    Discovery Materials Discovery Images of red and yellow particles NREL's research in materials characterization of sample by incoming beam and measuring outgoing particles, with data being stored and analyzed Staff Scientist Dr. Zakutayev specializes in design of novel semiconductor materials for energy

  10. Density limit experiments on FTU

    International Nuclear Information System (INIS)

    Pucella, G.; Tudisco, O.; Apicella, M.L.; Apruzzese, G.; Artaserse, G.; Belli, F.; Boncagni, L.; Botrugno, A.; Buratti, P.; Calabrò, G.; Castaldo, C.; Cianfarani, C.; Cocilovo, V.; Dimatteo, L.; Esposito, B.; Frigione, D.; Gabellieri, L.; Giovannozzi, E.; Bin, W.; Granucci, G.

    2013-01-01

    One of the main problems in tokamak fusion devices concerns the capability to operate at a high plasma density, which is observed to be limited by the appearance of catastrophic events causing loss of plasma confinement. The commonly used empirical scaling law for the density limit is the Greenwald limit, predicting that the maximum achievable line-averaged density along a central chord depends only on the average plasma current density. However, the Greenwald density limit has been exceeded in tokamak experiments in the case of peaked density profiles, indicating that the edge density is the real parameter responsible for the density limit. Recently, it has been shown on the Frascati Tokamak Upgrade (FTU) that the Greenwald density limit is exceeded in gas-fuelled discharges with a high value of the edge safety factor. In order to understand this behaviour, dedicated density limit experiments were performed on FTU, in which the high density domain was explored in a wide range of values of plasma current (I p = 500–900 kA) and toroidal magnetic field (B T = 4–8 T). These experiments confirm the edge nature of the density limit, as a Greenwald-like scaling holds for the maximum achievable line-averaged density along a peripheral chord passing at r/a ≃ 4/5. On the other hand, the maximum achievable line-averaged density along a central chord does not depend on the average plasma current density and essentially depends on the toroidal magnetic field only. This behaviour is explained in terms of density profile peaking in the high density domain, with a peaking factor at the disruption depending on the edge safety factor. The possibility that the MARFE (multifaced asymmetric radiation from the edge) phenomenon is the cause of the peaking has been considered, with the MARFE believed to form a channel for the penetration of the neutral particles into deeper layers of the plasma. Finally, the magnetohydrodynamic (MHD) analysis has shown that also the central line

  11. Density variation and piezoelectric properties of Ba(Ti1−xSnx)O3 ...

    Indian Academy of Sciences (India)

    diffraction method showed single phase perovskite structure. The density ... piezoelectric ceramics to replace toxic lead based materi- als. Among several groups ... electric field dependence of the material which leads to dif- ficulty in controlling ...

  12. Resolvability of regional density structure

    Science.gov (United States)

    Plonka, A.; Fichtner, A.

    2016-12-01

    Lateral density variations are the source of mass transport in the Earth at all scales, acting as drivers of convectivemotion. However, the density structure of the Earth remains largely unknown since classic seismic observables and gravityprovide only weak constraints with strong trade-offs. Current density models are therefore often based on velocity scaling,making strong assumptions on the origin of structural heterogeneities, which may not necessarily be correct. Our goal is to assessif 3D density structure may be resolvable with emerging full-waveform inversion techniques. We have previously quantified the impact of regional-scale crustal density structure on seismic waveforms with the conclusion that reasonably sized density variations within thecrust can leave a strong imprint on both travel times and amplitudes, and, while this can produce significant biases in velocity and Q estimates, the seismic waveform inversion for density may become feasible. In this study we performprincipal component analyses of sensitivity kernels for P velocity, S velocity, and density. This is intended to establish theextent to which these kernels are linearly independent, i.e. the extent to which the different parameters may be constrainedindependently. Since the density imprint we observe is not exclusively linked to travel times and amplitudes of specific phases,we consider waveform differences between complete seismograms. We test the method using a known smooth model of the crust and seismograms with clear Love and Rayleigh waves, showing that - as expected - the first principal kernel maximizes sensitivity to SH and SV velocity structure, respectively, and that the leakage between S velocity, P velocity and density parameter spaces is minimal in the chosen setup. Next, we apply the method to data from 81 events around the Iberian Penninsula, registered in total by 492 stations. The objective is to find a principal kernel which would maximize the sensitivity to density

  13. Nano Materials

    International Nuclear Information System (INIS)

    Jin, In Ju; Lee, Ik Mo; Kwon, Yeung Gu

    2006-02-01

    This book introduces background of nano science such as summary, plenty room at the bottom, access way to nano technique, nanoparticles using bottom-up method which are a marvel of nature, and modern alchemy : chemical synthesis of artificial nano structure, understanding of quantum mechanics, STM/AFM, nano metal powder, ceramic nanoparticles, nano structure film, manufacture of nanoparticles using reverse micelle method, carbon nano tube, sol-gel material, nano energy material, nano catalyst nano bio material technology and spintronics.

  14. Material Systems

    DEFF Research Database (Denmark)

    Jensen, Mads Brath; Mortensen, Henrik Rubæk; Mullins, Michael

    2009-01-01

    This paper describes and reflects upon the results of an investigative project which explores the setting up of a material system - a parametric and generative assembly consisting of and taking into consideration material properties, manufacturing constraints and geometric behavior. The project...... approaches the subject through the construction of a logic-driven system aiming to explore the possibilities of a material system that fulfills spatial, structural and performative requirements concurrently and how these are negotiated in situations where they might be conflicting....

  15. Material focus

    DEFF Research Database (Denmark)

    Sokoler, Tomas; Vallgårda, Anna K. A.

    2009-01-01

    In this paper we build on the notion of computational composites, which hold a material perspective on computational technology. We argue that a focus on the material aspects of the technology could be a fruitful approach to achieve new expressions and to gain a new view on the technology's role...... in design. We study two of the computer's material properties: computed causality and connectability and through developing two computational composites that utilize these properties we begin to explore their potential expressions....

  16. Materializing Ethnography

    OpenAIRE

    Geismar, H.; Horst, H. A.

    2004-01-01

    The articles in this volume were originally presented in a panel entitled ‘Material Methodologies’ at the American Anthropological Association meeting in New Orleans (November 2002). The panel was devised to tie together theoretical advances in the study of the material with the creative possibilities of fieldwork practices. Through detailed ethnographic discussion, we highlighted the ways in which a focus on a specifically material world enabled us to discover new perspecti...

  17. Super liquid density target designs

    International Nuclear Information System (INIS)

    Pan, Y.L.; Bailey, D.S.

    1976-01-01

    The success of laser fusion depends on obtaining near isentropic compression of fuel to very high densities and igniting this fuel. To date, the results of laser fusion experiments have been based mainly on the exploding pusher implosion of fusion capsules consisting of thin glass microballoons (wall thickness of less than 1 micron) filled with low density DT gas (initial density of a few mg/cc). Maximum DT densities of a few tenths of g/cc and temperatures of a few keV have been achieved in these experiments. We will discuss the results of LASNEX target design calculations for targets which: (a) can compress fuel to much higher densities using the capabilities of existing Nd-glass systems at LLL; (b) allow experimental measurement of the peak fuel density achieved

  18. High Power Density Motors

    Science.gov (United States)

    Kascak, Daniel J.

    2004-01-01

    With the growing concerns of global warming, the need for pollution-free vehicles is ever increasing. Pollution-free flight is one of NASA's goals for the 21" Century. , One method of approaching that goal is hydrogen-fueled aircraft that use fuel cells or turbo- generators to develop electric power that can drive electric motors that turn the aircraft's propulsive fans or propellers. Hydrogen fuel would likely be carried as a liquid, stored in tanks at its boiling point of 20.5 K (-422.5 F). Conventional electric motors, however, are far too heavy (for a given horsepower) to use on aircraft. Fortunately the liquid hydrogen fuel can provide essentially free refrigeration that can be used to cool the windings of motors before the hydrogen is used for fuel. Either High Temperature Superconductors (HTS) or high purity metals such as copper or aluminum may be used in the motor windings. Superconductors have essentially zero electrical resistance to steady current. The electrical resistance of high purity aluminum or copper near liquid hydrogen temperature can be l/lOO* or less of the room temperature resistance. These conductors could provide higher motor efficiency than normal room-temperature motors achieve. But much more importantly, these conductors can carry ten to a hundred times more current than copper conductors do in normal motors operating at room temperature. This is a consequence of the low electrical resistance and of good heat transfer coefficients in boiling LH2. Thus the conductors can produce higher magnetic field strengths and consequently higher motor torque and power. Designs, analysis and actual cryogenic motor tests show that such cryogenic motors could produce three or more times as much power per unit weight as turbine engines can, whereas conventional motors produce only 1/5 as much power per weight as turbine engines. This summer work has been done with Litz wire to maximize the current density. The current is limited by the amount of heat it

  19. Materials characterisation

    International Nuclear Information System (INIS)

    Azali Muhammad

    2005-01-01

    Various nuclear techniques have been developed and employed by technologies and scientists worldwide to physically and chemically characterise the material particularly those that have applications in industry. These include small angle neutron scattering (SANS), x-ray diffraction (XRD), scanning electron microscope (SEM) and transmission electron microscope (TEM) for the internal structural study of material, whereas, the x-ray fluorescence (XRF) for the chemical analysis, while the Moessbauer spectroscopy for the study on the magnetic properties and structural identity of material. Basic principle and instrumentations of the techniques are discussed in this chapter. Example of their applications in various disciplines particularly in characterisation of industrial materials also described

  20. Microwavable thermal energy storage material

    Science.gov (United States)

    Salyer, I.O.

    1998-09-08

    A microwavable thermal energy storage material is provided which includes a mixture of a phase change material and silica, and a carbon black additive in the form of a conformable dry powder of phase change material/silica/carbon black, or solid pellets, films, fibers, moldings or strands of phase change material/high density polyethylene/ethylene vinyl acetate/silica/carbon black which allows the phase change material to be rapidly heated in a microwave oven. The carbon black additive, which is preferably an electrically conductive carbon black, may be added in low concentrations of from 0.5 to 15% by weight, and may be used to tailor the heating times of the phase change material as desired. The microwavable thermal energy storage material can be used in food serving applications such as tableware items or pizza warmers, and in medical wraps and garments. 3 figs.

  1. Density functionals from deep learning

    OpenAIRE

    McMahon, Jeffrey M.

    2016-01-01

    Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep learning is developed to approximate this functional. Deep learning allows computational models that are capable of naturally discovering intricate structure in large and/or high-dimensional data sets, with multiple levels of abstraction. As no assumptions are ...

  2. Transition densities with electron scattering

    International Nuclear Information System (INIS)

    Heisenberg, J.

    1985-01-01

    This paper reviews the ground state and transition charge densities in nuclei via electron scattering. Using electrons as a spectroscopic tool in nuclear physics, these transition densities can be determined with high precision, also in the nuclear interior. These densities generally ask for a microscopic interpretation in terms of contributions from individual nucleons. The results for single particle transitions confirm the picture of particle-phonon coupling. (Auth.)

  3. Sets with Prescribed Arithmetic Densities

    Czech Academy of Sciences Publication Activity Database

    Luca, F.; Pomerance, C.; Porubský, Štefan

    2008-01-01

    Roč. 3, č. 2 (2008), s. 67-80 ISSN 1336-913X R&D Projects: GA ČR GA201/07/0191 Institutional research plan: CEZ:AV0Z10300504 Keywords : generalized arithmetic density * generalized asymptotic density * generalized logarithmic density * arithmetical semigroup * weighted arithmetic mean * ratio set * R-dense set * Axiom A * delta-regularly varying function Subject RIV: BA - General Mathematics

  4. Infrared thermography for wood density estimation

    Science.gov (United States)

    López, Gamaliel; Basterra, Luis-Alfonso; Acuña, Luis

    2018-03-01

    Infrared thermography (IRT) is becoming a commonly used technique to non-destructively inspect and evaluate wood structures. Based on the radiation emitted by all objects, this technique enables the remote visualization of the surface temperature without making contact using a thermographic device. The process of transforming radiant energy into temperature depends on many parameters, and interpreting the results is usually complicated. However, some works have analyzed the operation of IRT and expanded its applications, as found in the latest literature. This work analyzes the effect of density on the thermodynamic behavior of timber to be determined by IRT. The cooling of various wood samples has been registered, and a statistical procedure that enables one to quantitatively estimate the density of timber has been designed. This procedure represents a new method to physically characterize this material.

  5. Density functional theory a practical introduction

    CERN Document Server

    Sholl, David

    2009-01-01

    Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to studen...

  6. Histogram Estimators of Bivariate Densities

    National Research Council Canada - National Science Library

    Husemann, Joyce A

    1986-01-01

    One-dimensional fixed-interval histogram estimators of univariate probability density functions are less efficient than the analogous variable-interval estimators which are constructed from intervals...

  7. Importing low-density ideas to high-density revitalisation

    DEFF Research Database (Denmark)

    Arnholtz, Jens; Ibsen, Christian Lyhne; Ibsen, Flemming

    2016-01-01

    Why did union officials from a high-union-density country like Denmark choose to import an organising strategy from low-density countries such as the US and the UK? Drawing on in-depth interviews with key union officials and internal documents, the authors of this article argue two key points. Fi...

  8. Supercapacitors specialities - Materials review

    Science.gov (United States)

    Obreja, Vasile V. N.

    2014-06-01

    The electrode material is a key component for supercapacitor cell performance. As it is known, performance comparison of commercial available batteries and supercapacitors reveals significantly lower energy storage capability for supercapacitor devices. The energy density of commercial supercapacitor cells is limited to 10 Wh/kg whereas that of common lead acid batteries reaches 35-40 Wh/kg. For lithium ion batteries a value higher than 100 Wh/kg is easily available. Nevertheless, supercapacitors also known as ultracapacitors or electrochemical capacitors have other advantages in comparison with batteries. As a consequence, many efforts have been made in the last years to increase the storage energy density of electrochemical capacitors. A lot of results from published work (research and review papers, patents and reports) are available at this time. The purpose of this review is a presentation of the progress to date for the use of new materials and approaches for supercapacitor electrodes, with focus on the energy storage capability for practical applications. Many reported results refer to nanostructured carbon based materials and the related composites, used for the manufacture of experimental electrodes. A specific capacitance and a specific energy are seldom revealed as the main result of the performed investigation. Thus for nanoprous (activated) carbon based electrodes a specific capacitance up to 200-220 F/g is mentioned for organic electrolyte, whereas for aqueous electrolyte, the value is limited to 400-500 F/g. Significant contribution to specific capacitance is possible from fast faradaic reactions at the electrode-electrolyte interface in addition to the electric double layer effect. The corresponding energy density is limited to 30-50 Wh/kg for organic electrolyte and to 12-17 Wh/kg for aqueous electrolyte. However such performance indicators are given only for the carbon material used in electrodes. For a supercapacitor cell, where two electrodes

  9. Supercapacitors specialities - Materials review

    Energy Technology Data Exchange (ETDEWEB)

    Obreja, Vasile V. N. [National Research and Development Institute for Microtechnologies (IMT-Bucuresti), Bucharest, 126A Erou Iancu Nicolae Street, 077190 (Romania)

    2014-06-16

    The electrode material is a key component for supercapacitor cell performance. As it is known, performance comparison of commercial available batteries and supercapacitors reveals significantly lower energy storage capability for supercapacitor devices. The energy density of commercial supercapacitor cells is limited to 10 Wh/kg whereas that of common lead acid batteries reaches 35-40 Wh/kg. For lithium ion batteries a value higher than 100 Wh/kg is easily available. Nevertheless, supercapacitors also known as ultracapacitors or electrochemical capacitors have other advantages in comparison with batteries. As a consequence, many efforts have been made in the last years to increase the storage energy density of electrochemical capacitors. A lot of results from published work (research and review papers, patents and reports) are available at this time. The purpose of this review is a presentation of the progress to date for the use of new materials and approaches for supercapacitor electrodes, with focus on the energy storage capability for practical applications. Many reported results refer to nanostructured carbon based materials and the related composites, used for the manufacture of experimental electrodes. A specific capacitance and a specific energy are seldom revealed as the main result of the performed investigation. Thus for nanoprous (activated) carbon based electrodes a specific capacitance up to 200-220 F/g is mentioned for organic electrolyte, whereas for aqueous electrolyte, the value is limited to 400-500 F/g. Significant contribution to specific capacitance is possible from fast faradaic reactions at the electrode-electrolyte interface in addition to the electric double layer effect. The corresponding energy density is limited to 30-50 Wh/kg for organic electrolyte and to 12-17 Wh/kg for aqueous electrolyte. However such performance indicators are given only for the carbon material used in electrodes. For a supercapacitor cell, where two electrodes

  10. Supercapacitors specialities - Materials review

    International Nuclear Information System (INIS)

    Obreja, Vasile V. N.

    2014-01-01

    The electrode material is a key component for supercapacitor cell performance. As it is known, performance comparison of commercial available batteries and supercapacitors reveals significantly lower energy storage capability for supercapacitor devices. The energy density of commercial supercapacitor cells is limited to 10 Wh/kg whereas that of common lead acid batteries reaches 35-40 Wh/kg. For lithium ion batteries a value higher than 100 Wh/kg is easily available. Nevertheless, supercapacitors also known as ultracapacitors or electrochemical capacitors have other advantages in comparison with batteries. As a consequence, many efforts have been made in the last years to increase the storage energy density of electrochemical capacitors. A lot of results from published work (research and review papers, patents and reports) are available at this time. The purpose of this review is a presentation of the progress to date for the use of new materials and approaches for supercapacitor electrodes, with focus on the energy storage capability for practical applications. Many reported results refer to nanostructured carbon based materials and the related composites, used for the manufacture of experimental electrodes. A specific capacitance and a specific energy are seldom revealed as the main result of the performed investigation. Thus for nanoprous (activated) carbon based electrodes a specific capacitance up to 200-220 F/g is mentioned for organic electrolyte, whereas for aqueous electrolyte, the value is limited to 400-500 F/g. Significant contribution to specific capacitance is possible from fast faradaic reactions at the electrode-electrolyte interface in addition to the electric double layer effect. The corresponding energy density is limited to 30-50 Wh/kg for organic electrolyte and to 12-17 Wh/kg for aqueous electrolyte. However such performance indicators are given only for the carbon material used in electrodes. For a supercapacitor cell, where two electrodes

  11. Noise reduction in muon tomography for detecting high density objects

    International Nuclear Information System (INIS)

    Benettoni, M; Checchia, P; Cossutta, L; Furlan, M; Gonella, F; Pegoraro, M; Garola, A Rigoni; Ronchese, P; Vanini, S; Viesti, G; Bettella, G; Bonomi, G; Donzella, A; Subieta, M; Zenoni, A; Calvagno, G; Cortelazzo, G; Zanuttigh, P; Calvini, P; Squarcia, S

    2013-01-01

    The muon tomography technique, based on multiple Coulomb scattering of cosmic ray muons, has been proposed as a tool to detect the presence of high density objects inside closed volumes. In this paper a new and innovative method is presented to handle the density fluctuations (noise) of reconstructed images, a well known problem of this technique. The effectiveness of our method is evaluated using experimental data obtained with a muon tomography prototype located at the Legnaro National Laboratories (LNL) of the Istituto Nazionale di Fisica Nucleare (INFN). The results reported in this paper, obtained with real cosmic ray data, show that with appropriate image filtering and muon momentum classification, the muon tomography technique can detect high density materials, such as lead, albeit surrounded by light or medium density material, in short times. A comparison with algorithms published in literature is also presented

  12. Mammography density estimation with automated volumetic breast density measurement

    International Nuclear Information System (INIS)

    Ko, Su Yeon; Kim, Eun Kyung; Kim, Min Jung; Moon, Hee Jung

    2014-01-01

    To compare automated volumetric breast density measurement (VBDM) with radiologists' evaluations based on the Breast Imaging Reporting and Data System (BI-RADS), and to identify the factors associated with technical failure of VBDM. In this study, 1129 women aged 19-82 years who underwent mammography from December 2011 to January 2012 were included. Breast density evaluations by radiologists based on BI-RADS and by VBDM (Volpara Version 1.5.1) were compared. The agreement in interpreting breast density between radiologists and VBDM was determined based on four density grades (D1, D2, D3, and D4) and a binary classification of fatty (D1-2) vs. dense (D3-4) breast using kappa statistics. The association between technical failure of VBDM and patient age, total breast volume, fibroglandular tissue volume, history of partial mastectomy, the frequency of mass > 3 cm, and breast density was analyzed. The agreement between breast density evaluations by radiologists and VBDM was fair (k value = 0.26) when the four density grades (D1/D2/D3/D4) were used and moderate (k value = 0.47) for the binary classification (D1-2/D3-4). Twenty-seven women (2.4%) showed failure of VBDM. Small total breast volume, history of partial mastectomy, and high breast density were significantly associated with technical failure of VBDM (p 0.001 to 0.015). There is fair or moderate agreement in breast density evaluation between radiologists and VBDM. Technical failure of VBDM may be related to small total breast volume, a history of partial mastectomy, and high breast density.

  13. New materials

    International Nuclear Information System (INIS)

    Joshi, S.K.; Rao, C.N.R.; Tsuruta, T.

    1992-01-01

    The book contains the state-of-the art lectures delivered at the discussion meeting on new materials, a field in which rapid advances are taking place. The main objective of the meeting was to bring active scientists in this area from Japan and India together. The topics covered diverse aspects of modern materials including high temperature superconducting compounds. (M.G.B.)

  14. Materials science

    International Nuclear Information System (INIS)

    2002-01-01

    the document is a collection of papers on different aspects of materials science. It discusses many items such as semiconductors, surface properties and interfaces, construction and civil engineering, metallic materials, polymers and composites, biology and biomaterials, metallurgy etc.. - 1 - Document1 Document1

  15. Carbonaceous electrode materials for supercapacitors.

    Science.gov (United States)

    Hao, Long; Li, Xianglong; Zhi, Linjie

    2013-07-26

    Supercapacitors have been widely studied around the world in recent years, due to their excellent power density and long cycle life. As the most frequently used electrode materials for supercapacitors, carbonaceous materials attract more and more attention. However, their relatively low energy density still holds back the widespread application. Up to now, various strategies have been developed to figure out this problem. This research news summarizes the recent advances in improving the supercapacitor performance of carbonaceous materials, including the incorporation of heteroatoms and the pore size effect (subnanopores' contribution). In addition, a new class of carbonaceous materials, porous organic networks (PONs) has been managed into the supercapacitor field, which promises great potential in not only improving the supercapacitor performances, but also unraveling the related mechanisms. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Material Programming

    DEFF Research Database (Denmark)

    Vallgårda, Anna; Boer, Laurens; Tsaknaki, Vasiliki

    2017-01-01

    . Consequently we ask what the practice of programming and giving form to such materials would be like? How would we be able to familiarize ourselves with the dynamics of these materials and their different combinations of cause and effect? Which tools would we need and what would they look like? Will we program......, and color, but additionally being capable of sensing, actuating, and computing. Indeed, computers will not be things in and by themselves, but embedded into the materials that make up our surroundings. This also means that the way we interact with computers and the way we program them, will change...... these computational composites through external computers and then transfer the code them, or will the programming happen closer to the materials? In this feature we outline a new research program that floats between imagined futures and the development of a material programming practice....

  17. Composite material

    Science.gov (United States)

    Hutchens, Stacy A [Knoxville, TN; Woodward, Jonathan [Solihull, GB; Evans, Barbara R [Oak Ridge, TN; O'Neill, Hugh M [Knoxville, TN

    2012-02-07

    A composite biocompatible hydrogel material includes a porous polymer matrix, the polymer matrix including a plurality of pores and providing a Young's modulus of at least 10 GPa. A calcium comprising salt is disposed in at least some of the pores. The porous polymer matrix can comprise cellulose, including bacterial cellulose. The composite can be used as a bone graft material. A method of tissue repair within the body of animals includes the steps of providing a composite biocompatible hydrogel material including a porous polymer matrix, the polymer matrix including a plurality of pores and providing a Young's modulus of at least 10 GPa, and inserting the hydrogel material into cartilage or bone tissue of an animal, wherein the hydrogel material supports cell colonization in vitro for autologous cell seeding.

  18. Materials science

    International Nuclear Information System (INIS)

    Anon.

    1977-01-01

    The Materials Science Division is engaged in research on physical properties of materials and the effects of radiation upon them. This involves solid state materials undergoing phase transitions, energy storing materials, and biomaterials. The Division also offers research facilities for M.S. and Ph.D. thesis work in the fields of physics, chemistry, materials, and radiation sciences in cooperation with the various colleges and departments of the UPR Mayaguez Campus. It is anticipated that it will serve as a catalyst in starting energy-related research programs in cooperation with UPR faculty, especially programs involving solar energy. To encourage and promote cooperative efforts, contact is maintained with former graduate students and with visiting scientists from Latin American research institutions

  19. Touching Materiality

    DEFF Research Database (Denmark)

    Rasmussen, Lisa Rosén

    2012-01-01

    Dripping ink pens, colourful paint on skin, vegetables pots on a school roof. In interviews with three generations of former school pupils, memories of material objects bore a relation to everyday school life in the past. Interwoven, these objects entered the memorising processes, taking...... the interviewer and interviewee beyond an exclusively linguistic understanding of memory. This article analyses how the shifting objects of materiality in personal and generational school memories connects to material as well as sensuous experiences of everyday school life and its complex processes of learning....... Drawing on anthropological writings, the article argues that the objects of materiality are part of important but non-verbalised memories of schooling. The Dutch philosopher Eelco Runia’s notions of presence and metonymy are incorporated as tools for approaching objects of materiality in memory studies....

  20. Beam density equalization in a channel with nonlinear optics

    International Nuclear Information System (INIS)

    Batygin, Yu.K.; Kushin, V.V.; Nesterov, N.A.; Plotnikov, S.V.

    1993-01-01

    Simulation of beam density equalization in 2.85 m length transport channel covering two quadrupole lenses and two octupole lenses was carried out to obtain irradiation homogeneous field of track membrane materials. 0.3 MeV/nucleon energy and 1/8 electron-charge-mass ratio ion beam was supplied to the system inlet. Equalization of beam density function equal to about 80% was obtained. 4 refs., 1 fig

  1. A density distribution algorithm for bone incorporating local orthotropy, modal analysis and theories of cellular solids.

    Science.gov (United States)

    Impelluso, Thomas J

    2003-06-01

    An algorithm for bone remodeling is presented which allows for both a redistribution of density and a continuous change of principal material directions for the orthotropic material properties of bone. It employs a modal analysis to add density for growth and a local effective strain based analysis to redistribute density. General re-distribution functions are presented. The model utilizes theories of cellular solids to relate density and strength. The code predicts the same general density distributions and local orthotropy as observed in reality.

  2. Introduction Of Computational Materials Science

    International Nuclear Information System (INIS)

    Lee, Jun Geun

    2006-08-01

    This book gives, descriptions of computer simulation, computational materials science, typical three ways of computational materials science, empirical methods ; molecular dynamics such as potential energy, Newton's equation of motion, data production and analysis of results, quantum mechanical methods like wave equation, approximation, Hartree method, and density functional theory, dealing of solid such as pseudopotential method, tight-binding methods embedded atom method, Car-Parrinello method and combination simulation.

  3. The effect of laterite density on radon diffusion behavior.

    Science.gov (United States)

    Li, Yongmei; Tan, Wanyu; Tan, Kaixuan; Liu, Zehua; Fang, Qi; Lv, Junwen; Duan, Xianzhe; Liu, Zhenzhong; Guo, Yueyue

    2018-02-01

    Radon generated in porous media such as soils and rocks migrates into indoor and outdoor air mainly by diffusion, possessing significant hazards to human health. In order to reduce these hazards of radon, it is of great importance to study the diffusion behavior of radon. In this study, we systematically measured the radon diffusion coefficient of laterite with the density ranging from 0.917gcm -3 to 2.238gcm -3 , and studied the effect of laterite density on the radon diffusion. The results show that the radon diffusion coefficient of the laterite generally decreases with the increasing laterite density. In addition, three possible relationships between the radon diffusion coefficient and the laterite density are found out as follows: (1) the linear correlation with a slope of -4.48 × 10 -6 for laterite with density ranging from 0.917 to 1.095gcm -3 , (2) the exponential correlation for laterite with density from 1.095 to 1.63gcm -3 , (3) linear correlation with a slope of -3.1 × 10 -7 for laterite with density from 1.63 to 2.238gcm -3 . The complex relationship between the radon diffusion coefficient and density is caused by the change of porosity and tortuosity of the laterite. Therefore, we suggest that a suitable density should be adopted while using the laterite to effectively cover uranium tailings or economically produce building materials that can curb the radon exhalation. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. The Density of Sustainable Settlements

    DEFF Research Database (Denmark)

    Lauring, Michael; Silva, Victor; Jensen, Ole B.

    2010-01-01

    This paper is the initial result of a cross-disciplinary attempt to encircle an answer to the question of optimal densities of sustainable settlements. Urban density is an important component in the framework of sustainable development and influences not only the character and design of cities...

  5. Level density of 57Co

    International Nuclear Information System (INIS)

    Mishra, V.; Boukharouba, N.; Brient, C.E.; Grimes, S.M.; Pedroni, R.S.

    1994-01-01

    Levels in 57 Co have been studied in the region of resolved levels (E 57 Fe(p,n) 57 Co neutron spectrum with resolution ΔE∼5 keV. Seventeen previously unknown levels are located. Level density parameters in the continuum region are deduced from thick target measurements of the same reaction and additional level density information is deduced from Ericson fluctuation studies of the reaction 56 Fe(p,n) 56 Co. A set of level density parameters is found which describes the level density of 57 Co at energies up to 14 MeV. Efforts to obtain level density information from the 56 Fe(d,n) 57 Co reaction were unsuccessful, but estimates of the fraction of the deuteron absorption cross section corresponding to compound nucleus formation are obtained

  6. The density of cement phases

    International Nuclear Information System (INIS)

    Balonis, M.; Glasser, F.P.

    2009-01-01

    The densities of principal crystalline phases occurring in Portland cement are critically assessed and tabulated, in some cases with addition of new data. A reliable and self-consistent density set for crystalline phases was obtained by calculating densities from crystallographic data and unit cell contents. Independent laboratory work was undertaken to synthesize major AFm and AFt cement phases, determine their unit cell parameters and compare the results with those recorded in the literature. Parameters were refined from powder diffraction patterns using CELREF 2 software. A density value is presented for each phase, showing literature sources, in some cases describing limitations on the data, and the weighting attached to numerical values where an averaging process was used for accepted data. A brief discussion is made of the consequences of the packing of water to density changes in AFm and AFt structures.

  7. Measurement and analyses of molten Ni-Co alloy density

    Institute of Scientific and Technical Information of China (English)

    XIAO Feng; K. MUKAI; FANG Liang; FU Ya; YANG Ren-hui

    2006-01-01

    With the advent of powerful mathematical modeling techniques for material phenomena, there is renewed interest in reliable data for the density of the Ni-based superalloys. Up to now, there has been few report on the density of molten Ni-Co alloy.In order to obtain more accurate density data for molten Ni-Co alloy, the density of molten Ni-Co alloy was measured with a modified sessile drop method, and the accommodation of different atoms in molten Ni-Co alloy was analyzed. The density of alloy is found to decrease with increasing temperature and Co concentration in the alloy. The molar volume of molten Ni-Co alloy increases with increasing Co concentration. The molar volume of Ni-Co alloy determined shows a positive deviation from the linear molar volume, and the deviation of molar volume from ideal mixing increases with increasing Co concentration over the experimental concentration range.

  8. A new approach for estimating the density of liquids.

    Science.gov (United States)

    Sakagami, T; Fuchizaki, K; Ohara, K

    2016-10-05

    We propose a novel approach with which to estimate the density of liquids. The approach is based on the assumption that the systems would be structurally similar when viewed at around the length scale (inverse wavenumber) of the first peak of the structure factor, unless their thermodynamic states differ significantly. The assumption was implemented via a similarity transformation to the radial distribution function to extract the density from the structure factor of a reference state with a known density. The method was first tested using two model liquids, and could predict the densities within an error of several percent unless the state in question differed significantly from the reference state. The method was then applied to related real liquids, and satisfactory results were obtained for predicted densities. The possibility of applying the method to amorphous materials is discussed.

  9. Combined backscatter and transmission method for nuclear density gauge

    Directory of Open Access Journals (Sweden)

    Golgoun Seyed Mohammad

    2015-01-01

    Full Text Available Nowadays, the use of nuclear density gauges, due to the ability to work in harsh industrial environments, is very common. In this study, to reduce error related to the ρ of continuous measuring density, the combination of backscatter and transmission are used simultaneously. For this reason, a 137Cs source for Compton scattering dominance and two detectors are simulated by MCNP4C code for measuring the density of 3 materials. Important advantages of this combined radiometric gauge are diminished influence of μ and therefore improving linear regression.

  10. Bedforms formed by experimental supercritical density flows

    Science.gov (United States)

    Naruse, Hajime; Izumi, Norihiro; Yokokawa, Miwa; Muto, Tetsuji

    2014-05-01

    This study reveals characteristics and formative conditions of bedforms produced by saline density flows in supercritical flow conditions, especially focusing on the mechanism of the formation of plane bed. The motion of sediment particles forming bedforms was resolved by high-speed cameras (1/1000 frame/seconds). Experimental density flows were produced by mixtures of salt water (1.01-1.04 in density) and plastic particles (1.5 in specific density, 140 or 240 mm in diameter). Salt water and plastic particles are analogue materials of muddy water and sand particles in turbidity currents respectively. Acrylic flume (4.0 m long, 2.0 cm wide and 0.5 m deep) was submerged in an experimental tank (6.0 m long, 1.8 m wide and 1.2 m deep) that was filled by clear water. Features of bedforms were observed when the bed state in the flume reached equilibrium condition. The experimental conditions range 1.5-4.2 in densimetric Froude number and 0.2-0.8 in Shields dimensionless stress. We report the two major discoveries as a result of the flume experiments: (1) Plane bed under Froude-supercritical flows and (2) Geometrical characteristics of cyclic steps formed by density flows. (1) Plane bed was formed under the condition of supercritical flow regime. In previous studies, plane bed has been known to be formed by subcritical unidirectional flows (ca. 0.8 in Froude number). However, this study implies that plane bed can also be formed by supercritical conditions with high Shields dimensionless stress (>0.4) and very high Froude number (> 4.0). This discovery may suggest that previous estimations of paleo-hydraulic conditions of parallel lamination in turbidites should be reconsidered. The previous experimental studies and data from high-speed camera suggest that the region of plane bed formation coincides with the region of the sheet flow developments. The particle transport in sheet flow (thick bedload layer) induces transform of profile of flow shear stress, which may be

  11. Density Functional Theory An Advanced Course

    CERN Document Server

    Dreizler, Reiner M

    2011-01-01

    Density Functional Theory (DFT) has firmly established itself as the workhorse for the atomic-level simulation of condensed matter phases, pure or composite materials and quantum chemical systems. The present book is a rigorous and detailed introduction to the foundations up to and including such advanced topics as orbital-dependent functionals and both time-dependent and relativistic DFT. Given the many ramifications of contemporary DFT, this text concentrates on the self-contained presentation of the basics of the most widely used DFT variants. This implies a thorough discussion of the corresponding existence theorems and effective single particle equations, as well as of key approximations utilized in implementations. The formal results are complemented by selected quantitative results, which primarily aim at illustrating strengths and weaknesses of a particular approach or functional. DFT for superconducting or nuclear and hadronic systems are not addressed in this work. The structure and material contain...

  12. Density limits imposed by the microstructure of magnetic recording media

    International Nuclear Information System (INIS)

    Richter, H.J.

    2009-01-01

    The fundamental limit of magnetic recording density on conventional media is set by the grain size. Once this grain size limit is reached, only a reduction of the grain size allows an increased SNR and thus an increased areal density. It is shown that, whilst maintaining thermal stability, scaling demands that the required anisotropy energy density K is proportional to the areal density, or the square of the areal density if the medium thickness reaches the critical thickness 4√(A/K) (A is the exchange stiffness of the material). Recording onto materials with such a high anisotropy requires some form of a write-assist. It is furthermore shown that the grain size limit cannot be obtained with intergranular exchange present, and six different requirements are listed that constitute ideal media. An alternative path for increasing areal density of magnetic recording is to use patterned media, where each bit contains only one grain. In this case, written-in errors dominate system performance and the maximum achievable areal density is estimated to be about 6 Tbit/in 2 . Patterned media need to exhibit narrow distributions of their physical and structural properties with standard deviations of the order of 5% or less

  13. Variable Bone Density of Scaphoid: Importance of Subchondral Screw Placement.

    Science.gov (United States)

    Swanstrom, Morgan M; Morse, Kyle W; Lipman, Joseph D; Hearns, Krystle A; Carlson, Michelle G

    2018-02-01

    Background  Ideal internal fixation of the scaphoid relies on adequate bone stock for screw purchase; so, knowledge of regional bone density of the scaphoid is crucial. Questions/Purpose  The purpose of this study was to evaluate regional variations in scaphoid bone density. Materials and Methods  Three-dimensional CT models of fractured scaphoids were created and sectioned into proximal/distal segments and then into quadrants (volar/dorsal/radial/ulnar). Concentric shells in the proximal and distal pole were constructed in 2-mm increments moving from exterior to interior. Bone density was measured in Hounsfield units (HU). Results  Bone density of the distal scaphoid (453.2 ± 70.8 HU) was less than the proximal scaphoid (619.8 ± 124.2 HU). There was no difference in bone density between the four quadrants in either pole. In both the poles, the first subchondral shell was the densest. In both the proximal and distal poles, bone density decreased significantly in all three deeper shells. Conclusion  The proximal scaphoid had a greater density than the distal scaphoid. Within the poles, there was no difference in bone density between the quadrants. The subchondral 2-mm shell had the greatest density. Bone density dropped off significantly between the first and second shell in both the proximal and distal scaphoids. Clinical Relevance  In scaphoid fracture ORIF, optimal screw placement engages the subchondral 2-mm shell, especially in the distal pole, which has an overall lower bone density, and the second shell has only two-third the density of the first shell.

  14. Behavior of high-density spent-fuel storage racks

    International Nuclear Information System (INIS)

    Bailey, W.J.

    1986-08-01

    Included in this report is a summary of information on neutron-absorbing materials such as B 4 C in an aluminum matrix or organic binder material, stainless steel-boron and aluminum-boron alloys, and stainless steetl-clad cadmium that are used in high-density spent fuel storage racks. A list of the types of neutron-absorbing materials being used in spent fuel storage racks at domestic commercial plants is provided. Recent cases at several domestic plants where swelling of rack side plates (where the B 4 C in an aluminum matrix and B 4 C in an organic binder material were located) occurred are reviewed

  15. Nuclear materials

    International Nuclear Information System (INIS)

    1996-01-01

    In 1998, Nuclear Regulatory Authority of the Slovak Republic (NRA SR) performed 38 inspections, 25 of them were performed in co-operation with IAEA inspectors. There is no fresh nuclear fuel at Bohunice A-1 NPP at present. Fresh fuel of Bohunice V-1 and V-2 NPPs is inspected in the fresh fuel storage.There are 327 fresh fuel assemblies in Mochovce NPP fresh fuel storage. In addition to that, are also 71 small users of nuclear materials in Slovakia. In most cases they use: covers made of depleted uranium for non-destructive works, detection of level in production plants, covers for therapeutical sources at medical facilities. In. 1995, NRA SR issued 4 new licences for nuclear material withdrawal. In the next part manipulation with nuclear materials, spent fuel stores and illegal trafficking in nuclear materials are reported

  16. Composite Materials

    DEFF Research Database (Denmark)

    Nielsen, Lauge Fuglsang

    This book deals with the mechanical and physical behavior of composites as influenced by composite geometry. "Composite Materials" provides a comprehensive introduction for researchers and students to modern composite materials research with a special emphasis on the significance of phase geometry......, viscoelastic behavior, and internal stress states. Other physical properties considered are thermal and electrical conductivities, diffusion coefficients, dielectric constants and magnetic permeability. Special attention is given to the effect of pore shape on the mechanical and physical behavior of porous....... The book enables the reader to a better understanding of the behavior of natural composites, improvement of such materials, and design of new materials with prescribed properties. A number of examples are presented: Special composite properties considered are stiffness, shrinkage, hygro-thermal behavior...

  17. Hazardous materials

    Science.gov (United States)

    ... substances that could harm human health or the environment. Hazardous means dangerous, so these materials must be ... M. is also a founding member of Hi-Ethics and subscribes to the principles of the Health ...

  18. Utopian Materialities

    DEFF Research Database (Denmark)

    Elgaard-Jensen, Torben

    2004-01-01

    In various ways, this paper makes the counter-intuitive claim that the utopian and the material are thoroughlyinterdependent, rather than worlds apart. First, through a reading of Thomas More's Utopia, it is argued thatUtopia is the product of particular kinds of relations, rather than merely...... a detachment from the known world.Second, the utopianism of a new economy firm is examined. It is argued that the physical set-up of the firm -in particular the distribution of tables and chairs - evoke a number of alternatives to ordinary work practice.In this way the materialities of the firm are crucial...... to its persuasive image of being the office of the future.The notion that utopia is achieved through material arrangements is finally related to the analysis of facts andfictions in ANT. It is argued, that even though Utopias are neither fact nor fiction, they are both material andeffective...

  19. Development of Low Density, Flexible Carbon Phenolic Ablators

    Science.gov (United States)

    Stackpoole, Mairead; Thornton, Jeremy; Fan, Wendy; Covington, Alan; Doxtad, Evan; Beck, Robin; Gasch, Matt; Arnold, Jim

    2012-01-01

    Phenolic Impregnated Carbon Ablator (PICA) was the enabling TPS material for the Stardust mission where it was used as a single piece heatshield. PICA has the advantages of low density (approximately 0.27 grams per cubic centimeter) coupled with efficient ablative capability at high heat fluxes. Due to its brittle nature and low strain to failure recent efforts at NASA ARC have focused on alternative architectures to yield flexible and more conformal carbon phenolic materials with comparable densities to PICA. This presentation will discuss flexible alternatives to PICA and include preliminary mechanical and thermal properties as well as recent arc jet and LHMEL screening test results.

  20. Advanced materials for energy storage.

    Science.gov (United States)

    Liu, Chang; Li, Feng; Ma, Lai-Peng; Cheng, Hui-Ming

    2010-02-23

    Popularization of portable electronics and electric vehicles worldwide stimulates the development of energy storage devices, such as batteries and supercapacitors, toward higher power density and energy density, which significantly depends upon the advancement of new materials used in these devices. Moreover, energy storage materials play a key role in efficient, clean, and versatile use of energy, and are crucial for the exploitation of renewable energy. Therefore, energy storage materials cover a wide range of materials and have been receiving intensive attention from research and development to industrialization. In this Review, firstly a general introduction is given to several typical energy storage systems, including thermal, mechanical, electromagnetic, hydrogen, and electrochemical energy storage. Then the current status of high-performance hydrogen storage materials for on-board applications and electrochemical energy storage materials for lithium-ion batteries and supercapacitors is introduced in detail. The strategies for developing these advanced energy storage materials, including nanostructuring, nano-/microcombination, hybridization, pore-structure control, configuration design, surface modification, and composition optimization, are discussed. Finally, the future trends and prospects in the development of advanced energy storage materials are highlighted.

  1. Advanced materials for energy storage

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Chang; Li, Feng; Ma, Lai-Peng; Cheng, Hui-Ming [Shenyang National Laboratory for Materials Science Institute of Metal Research, Chinese Academy of Sciences 72 Wenhua Road, Shenyang 110016 (China)

    2010-02-23

    Popularization of portable electronics and electric vehicles worldwide stimulates the development of energy storage devices, such as batteries and supercapacitors, toward higher power density and energy density, which significantly depends upon the advancement of new materials used in these devices. Moreover, energy storage materials play a key role in efficient, clean, and versatile use of energy, and are crucial for the exploitation of renewable energy. Therefore, energy storage materials cover a wide range of materials and have been receiving intensive attention from research and development to industrialization. In this review, firstly a general introduction is given to several typical energy storage systems, including thermal, mechanical, electromagnetic, hydrogen, and electrochemical energy storage. Then the current status of high-performance hydrogen storage materials for on-board applications and electrochemical energy storage materials for lithium-ion batteries and supercapacitors is introduced in detail. The strategies for developing these advanced energy storage materials, including nanostructuring, nano-/microcombination, hybridization, pore-structure control, configuration design, surface modification, and composition optimization, are discussed. Finally, the future trends and prospects in the development of advanced energy storage materials are highlighted. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  2. Latent Heat Storage Through Phase Change Materials

    Indian Academy of Sciences (India)

    IAS Admin

    reducing storage volume for different materials. The examples are numerous: ... Latent heat is an attractive way to store solar heat as it provides high energy storage density, .... Maintenance of the PCM treated fabric is easy. The melted PCM.

  3. Propulsion materials

    Energy Technology Data Exchange (ETDEWEB)

    Wall, Edward J. [U.S. Dept. of Energy, Washington, D.C. (United States); Sullivan, Rogelio A. [U.S. Dept. of Energy, Washington, D.C. (United States); Gibbs, Jerry L. [U.S. Dept. of Energy, Washington, D.C. (United States)

    2008-01-01

    The Department of Energy’s (DOE’s) Office of Vehicle Technologies (OVT) is pleased to introduce the FY 2007 Annual Progress Report for the Propulsion Materials Research and Development Program. Together with DOE national laboratories and in partnership with private industry and universities across the United States, the program continues to engage in research and development (R&D) that provides enabling materials technology for fuel-efficient and environmentally friendly commercial and passenger vehicles.

  4. Encountering Materiality

    DEFF Research Database (Denmark)

    Svabo, Connie

    2016-01-01

    DHT researcher Connie Svabo and artist Charlotte Grum did a joint performance presentation titled Becoming Sheep, Becoming Animal at the international conference Encountering Materiality – Transdisciplinary Conversations, held in Geneve, Schwitzerland, June 23-25 2016.......DHT researcher Connie Svabo and artist Charlotte Grum did a joint performance presentation titled Becoming Sheep, Becoming Animal at the international conference Encountering Materiality – Transdisciplinary Conversations, held in Geneve, Schwitzerland, June 23-25 2016....

  5. Background Material

    DEFF Research Database (Denmark)

    Zandersen, Marianne; Hyytiäinen, Kari; Saraiva, Sofia

    This document serves as a background material to the BONUS Pilot Scenario Workshop, which aims to develop harmonised regional storylines of socio-ecological futures in the Baltic Sea region in a collaborative effort together with other BONUS projects and stakeholders.......This document serves as a background material to the BONUS Pilot Scenario Workshop, which aims to develop harmonised regional storylines of socio-ecological futures in the Baltic Sea region in a collaborative effort together with other BONUS projects and stakeholders....

  6. Bulletin of Materials Science | News

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 39; Issue 5. Effects of size on mass density and its influence on mechanical and thermal properties of ZrO 2 nanoparticles in different structures. BOTAN JAWDAT ABDULLAH QING JIANG MUSTAFA SAEED OMAR. Volume 39 Issue 5 September 2016 pp 1295-1302 ...

  7. Bulletin of Materials Science | News

    Indian Academy of Sciences (India)

    pp 235-241 Polymers. Synthesis, mechanical, thermal and chemical properties of ... pp 243-249 Polymers. Terpolymerization of 2-ethoxy ethylmethacrylate, styrene ... showed reduction in g value. pp 251-262 Polymers. Analysis of surface degradation of high density polyethylene (HDPE) insulation material due to tracking.

  8. Obesity and Regional Immigrant Density.

    Science.gov (United States)

    Emerson, Scott D; Carbert, Nicole S

    2017-11-24

    Canada has an increasingly large immigrant population. Areas of higher immigrant density, may relate to immigrants' health through reduced acculturation to Western foods, greater access to cultural foods, and/or promotion of salubrious values/practices. It is unclear, however, whether an association exists between Canada-wide regional immigrant density and obesity among immigrants. Thus, we examined whether regional immigrant density was related to obesity, among immigrants. Adult immigrant respondents (n = 15,595) to a national population-level health survey were merged with region-level immigrant density data. Multi-level logistic regression was used to model the odds of obesity associated with increased immigrant density. The prevalence of obesity among the analytic sample was 16%. Increasing regional immigrant density was associated with lower odds of obesity among minority immigrants and long-term white immigrants. Immigrant density at the region-level in Canada may be an important contextual factor to consider when examining obesity among immigrants.

  9. Density dependent hadron field theory

    International Nuclear Information System (INIS)

    Fuchs, C.; Lenske, H.; Wolter, H.H.

    1995-01-01

    A fully covariant approach to a density dependent hadron field theory is presented. The relation between in-medium NN interactions and field-theoretical meson-nucleon vertices is discussed. The medium dependence of nuclear interactions is described by a functional dependence of the meson-nucleon vertices on the baryon field operators. As a consequence, the Euler-Lagrange equations lead to baryon rearrangement self-energies which are not obtained when only a parametric dependence of the vertices on the density is assumed. It is shown that the approach is energy-momentum conserving and thermodynamically consistent. Solutions of the field equations are studied in the mean-field approximation. Descriptions of the medium dependence in terms of the baryon scalar and vector density are investigated. Applications to infinite nuclear matter and finite nuclei are discussed. Density dependent coupling constants obtained from Dirac-Brueckner calculations with the Bonn NN potentials are used. Results from Hartree calculations for energy spectra, binding energies, and charge density distributions of 16 O, 40,48 Ca, and 208 Pb are presented. Comparisons to data strongly support the importance of rearrangement in a relativistic density dependent field theory. Most striking is the simultaneous improvement of charge radii, charge densities, and binding energies. The results indicate the appearance of a new ''Coester line'' in the nuclear matter equation of state

  10. Measuring single-cell density.

    Science.gov (United States)

    Grover, William H; Bryan, Andrea K; Diez-Silva, Monica; Suresh, Subra; Higgins, John M; Manalis, Scott R

    2011-07-05

    We have used a microfluidic mass sensor to measure the density of single living cells. By weighing each cell in two fluids of different densities, our technique measures the single-cell mass, volume, and density of approximately 500 cells per hour with a density precision of 0.001 g mL(-1). We observe that the intrinsic cell-to-cell variation in density is nearly 100-fold smaller than the mass or volume variation. As a result, we can measure changes in cell density indicative of cellular processes that would be otherwise undetectable by mass or volume measurements. Here, we demonstrate this with four examples: identifying Plasmodium falciparum malaria-infected erythrocytes in a culture, distinguishing transfused blood cells from a patient's own blood, identifying irreversibly sickled cells in a sickle cell patient, and identifying leukemia cells in the early stages of responding to a drug treatment. These demonstrations suggest that the ability to measure single-cell density will provide valuable insights into cell state for a wide range of biological processes.

  11. Attractor comparisons based on density

    International Nuclear Information System (INIS)

    Carroll, T. L.

    2015-01-01

    Recognizing a chaotic attractor can be seen as a problem in pattern recognition. Some feature vector must be extracted from the attractor and used to compare to other attractors. The field of machine learning has many methods for extracting feature vectors, including clustering methods, decision trees, support vector machines, and many others. In this work, feature vectors are created by representing the attractor as a density in phase space and creating polynomials based on this density. Density is useful in itself because it is a one dimensional function of phase space position, but representing an attractor as a density is also a way to reduce the size of a large data set before analyzing it with graph theory methods, which can be computationally intensive. The density computation in this paper is also fast to execute. In this paper, as a demonstration of the usefulness of density, the density is used directly to construct phase space polynomials for comparing attractors. Comparisons between attractors could be useful for tracking changes in an experiment when the underlying equations are too complicated for vector field modeling

  12. Energy vs. density on paths toward more exact density functionals.

    Science.gov (United States)

    Kepp, Kasper P

    2018-03-14

    Recently, the progression toward more exact density functional theory has been questioned, implying a need for more formal ways to systematically measure progress, i.e. a "path". Here I use the Hohenberg-Kohn theorems and the definition of normality by Burke et al. to define a path toward exactness and "straying" from the "path" by separating errors in ρ and E[ρ]. A consistent path toward exactness involves minimizing both errors. Second, a suitably diverse test set of trial densities ρ' can be used to estimate the significance of errors in ρ without knowing the exact densities which are often inaccessible. To illustrate this, the systems previously studied by Medvedev et al., the first ionization energies of atoms with Z = 1 to 10, the ionization energy of water, and the bond dissociation energies of five diatomic molecules were investigated using CCSD(T)/aug-cc-pV5Z as benchmark at chemical accuracy. Four functionals of distinct designs was used: B3LYP, PBE, M06, and S-VWN. For atomic cations regardless of charge and compactness up to Z = 10, the energy effects of the different ρ are energy-wise insignificant. An interesting oscillating behavior in the density sensitivity is observed vs. Z, explained by orbital occupation effects. Finally, it is shown that even large "normal" problems such as the Co-C bond energy of cobalamins can use simpler (e.g. PBE) trial densities to drastically speed up computation by loss of a few kJ mol -1 in accuracy. The proposed method of using a test set of trial densities to estimate the sensitivity and significance of density errors of functionals may be useful for testing and designing new balanced functionals with more systematic improvement of densities and energies.

  13. Density limit in JT-60

    International Nuclear Information System (INIS)

    Kamada, Yutaka; Hosogane, Nobuyuki; Hirayama, Toshio; Tsunematsu, Toshihide

    1990-05-01

    This report studies mainly the density limit for a series of gas- and pellet-fuelled limiter discharges in JT-60. With the pellet injection into high-current/low-q (q(a)=2.3∼2.5) discharges, the Murakami factor reaches up to 10∼13 x 10 19 m -2 T -1 . The values are about factors of 1.5∼2.0 higher than those for usual gas-fuelled discharges. The pellet injected discharges have high central density, whereas the electron density in the outer region (a/2 abs and n e 2 (r=50 cm) x Z eff (r=50 cm). (author)

  14. Magnetothermopower in unconventional density waves

    International Nuclear Information System (INIS)

    Dora, B.; Maki, K.; Vanyolos, A.; Virosztek, A.

    2003-10-01

    After a brief introduction on unconventional density waves (i.e. unconventional charge density wave (UCDW) and unconventional spin density wave (USDW)), we discuss the magnetotransport of the low temperature phase (LTP) of α-(BEDT-TTF) 2 KHg(SCN) 4 . Recently we have proposed that the low temperature phase in α-(BEDT-TTF) 2 KHg(SCN 4 should be UCDW. Here we show that UCDW describes very consistently the magnetothermopower of )α-(BEDT-TTF) 2 KHg(SCN) 4 observed by Choi et al. (author)

  15. A Density Functional Theory Study

    KAUST Repository

    Lim, XiaoZhi

    2011-12-11

    Complexes with pincer ligand moieties have garnered much attention in the past few decades. They have been shown to be highly active catalysts in several known transition metal-catalyzed organic reactions as well as some unprecedented organic transformations. At the same time, the use of computational organometallic chemistry to aid in the understanding of the mechanisms in organometallic catalysis for the development of improved catalysts is on the rise. While it was common in earlier studies to reduce computational cost by truncating donor group substituents on complexes such as tertbutyl or isopropyl groups to hydrogen or methyl groups, recent advancements in the processing capabilities of computer clusters and codes have streamlined the time required for calculations. As the full modeling of complexes become increasingly popular, a commonly overlooked aspect, especially in the case of complexes bearing isopropyl substituents, is the conformational analysis of complexes. Isopropyl groups generate a different conformer with each 120 ° rotation (rotamer), and it has been found that each rotamer typically resides in its own potential energy well in density functional theory studies. As a result, it can be challenging to select the most appropriate structure for a theoretical study, as the adjustment of isopropyl substituents from a higher-energy rotamer to the lowest-energy rotamer usually does not occur during structure optimization. In this report, the influence of the arrangement of isopropyl substituents in pincer complexes on calculated complex structure energies as well as a case study on the mechanism of the isomerization of an iPrPCP-Fe complex is covered. It was found that as many as 324 rotamers can be generated for a single complex, as in the case of an iPrPCP-Ni formato complex, with the energy difference between the global minimum and the highest local minimum being as large as 16.5 kcalmol-1. In the isomerization of a iPrPCP-Fe complex, it was found

  16. FOREWORD: Special issue on density

    Science.gov (United States)

    Fujii, Kenichi

    2004-04-01

    This special issue on density was undertaken to provide readers with an overview of the present state of the density standards for solids, liquids and gases, as well as the technologies developed for measuring density. This issue also includes topics on the refractive index of gases and on techniques used for calibrating hydrometers so that almost all areas concerned with density standards are covered in four review articles and seven original articles, most of which describe current research being conducted at national metrology institutes (NMIs). A review article was invited from the Ruhr-Universität Bochum to highlight research on the magnetic suspension densimeters. In metrology, the determinations of the volume of a weight and the density of air are of primary importance in establishing a mass standard because the effect of the buoyancy force of air acting on the weight must be known accurately to determine the mass of the weight. A density standard has therefore been developed at many NMIs with a close relation to the mass standard. Hydrostatic weighing is widely used to measure the volume of a solid. The most conventional hydrostatic weighing method uses water as a primary density standard for measuring the volume of a solid. A brief history of the determination of the density of water is therefore given in a review article, as well as a recommended value for the density of water with a specified isotopic abundance. The most modern technique for hydrostatic weighing uses a solid density standard instead of water. For this purpose, optical interferometers for measuring the diameters of silicon spheres have been developed to convert the length standard into the volume standard with a small uncertainty. A review article is therefore dedicated to describing the state-of-the-art optical interferometers developed for silicon spheres. Relative combined standard uncertainties of several parts in 108 have been achieved today for measuring the volume and density of

  17. SYNTHESIS, CHARACTERIZATION AND DENSITY FUNCTIONAL ...

    African Journals Online (AJOL)

    Preferred Customer

    We synthesized a number of aniline derivatives containing acyl groups to compare their barriers of rotation around ... KEY WORDS: Monoacyl aniline, Synthesis, Density functional theory, Rotation barrier. INTRODUCTION. Developments in ...

  18. Photon CT scanning of advanced ceramic materials

    International Nuclear Information System (INIS)

    Sawicka, B.D.; Ellingson, W.A.

    1987-02-01

    Advanced ceramic materials are being developed for high temperature applications in advanced heat engines and high temperature heat recovery systems. Small size flaws (10 - 200 μm) and small nonuniformities in density distributions (0.1 -2%) present as long-range density gradients, are critical in most ceramics and their detection is of crucial importance. Computed tomographic (CT) imaging provides a means of obtaining a precise two-dimensional density map of a cross section through an object from which accurate information about small flaws and small density gradients can be obtained. With the use of high energy photon sources high contrast CT images can be obtained for both low and high density ceramics. In the present paper we illustrate the applicability of the photon CT technique to the examination of advanced ceramics. CT images of sintered alumina tiles are presented from which data on high-density inclusions, cracks and density gradients have been extracted

  19. Microvessel density in Prostatic Lesions : Relevance to prognosis

    Directory of Open Access Journals (Sweden)

    P Upadhyaya

    2016-03-01

    Full Text Available Background:  Angiogenesis is required for growth and metastasis of tumor tissue. Quantization of angiogenesis by calculating the microvessel density can be done in histopathology specimens with the help of immunochemistry. In this study we used anti CD 34 antibody to highlight the endothelial cells and thus calculate microvessel density. Most studies have shown a positive correlation of microvessel density with increasing pathological grade and have also shown microvessel density as an independent predictor of cancer progression and survival. The present study was to find out the microvessel density in benign and malignant lesions of prostate and also to correlate the vascularity with increasing grade of cancer.Materials and methods:  Sixty five prostatic biopsies were evaluated for microvessel density using CD34 monoclonal antibody. Comparison was done between BPH and Carcinoma Prostate. MVD was correlated with Gleason’s score, weight of specimen and increasing age of patient. Effect of prostatitis on Microvessel density was studied.Results: Microvessel density was significantly higher in carcinoma prostate than in Benign Prostatic Hyperplasia. There was positive correlation of Microvessel density with increasing Gleason’s score. Microvessel was significantly increased in patients having symptoms for more than a year and also with biopsies revealing prostatitis. However, there was no significant correlation between Microvessel density and weight of specimen or increasing age.Conclusion: Since Microvessel density was found to be significantly higher in Prostatic Carcinoma and it showed positive correlation with Gleason’s score it can be added as one of the indicators for predicting the disease outcome. 

  20. Vanadium based materials as electrode materials for high performance supercapacitors

    Science.gov (United States)

    Yan, Yan; Li, Bing; Guo, Wei; Pang, Huan; Xue, Huaiguo

    2016-10-01

    As a kind of supercapacitors, pseudocapacitors have attracted wide attention in recent years. The capacitance of the electrochemical capacitors based on pseudocapacitance arises mainly from redox reactions between electrolytes and active materials. These materials usually have several oxidation states for oxidation and reduction. Many research teams have focused on the development of an alternative material for electrochemical capacitors. Many transition metal oxides have been shown to be suitable as electrode materials of electrochemical capacitors. Among them, vanadium based materials are being developed for this purpose. Vanadium based materials are known as one of the best active materials for high power/energy density electrochemical capacitors due to its outstanding specific capacitance and long cycle life, high conductivity and good electrochemical reversibility. There are different kinds of synthetic methods such as sol-gel hydrothermal/solvothermal method, template method, electrospinning method, atomic layer deposition, and electrodeposition method that have been successfully applied to prepare vanadium based electrode materials. In our review, we give an overall summary and evaluation of the recent progress in the research of vanadium based materials for electrochemical capacitors that include synthesis methods, the electrochemical performances of the electrode materials and the devices.

  1. Foldable, High Energy Density Lithium Ion Batteries

    Science.gov (United States)

    Suresh, Shravan

    Lithium Ion Batteries (LIBs) have become ubiquitous owing to its low cost, high energy density and, power density. Due to these advantages, LIBs have garnered a lot of attention as the primary energy storage devices in consumer electronics and electric vehicles. Recent advances in the consumer electronics research and, the drive to reduce greenhouse gases have created a demand for a shape conformable, high energy density batteries. This thesis focuses on the aforementioned two aspects of LIBs: (a) shape conformability (b) energy density and provides potential solutions to enhance them. This thesis is divided into two parts viz. (i) achieving foldability in batteries and, (ii) improving its energy density. Conventional LIBs are not shape conformable due to two limitations viz. inelasticity of metallic foils, and delamination of the active materials while bending. In the first part of the thesis (in Chapter 3), this problem is solved by replacing metallic current collector with Carbon Nanotube Macrofilms (CNMs). CNMs are superelastic films comprising of porous interconnected nanotube network. Using Molecular Dynamics (MD) simulation, we found that in the presence of an interconnected nanotube network CNMs can be fully folded. This is because the resultant stress due to bending and, the effective bending angle at the interface is reduced due to the network of nanotubes. Hence, unlike an isolated nanotube (which ruptures beyond 120 degrees of bending), a network of nanotubes can be completely folded. Thus, by replacing metallic current collector foils with CNMs, the flexibility limitation of a conventional LIB can be transcended. The second part of this thesis focusses on enhancing the energy density of LIBs. Two strategies adopted to achieve this goal are (a) removing the dead weight of the batteries, and (b) incorporating high energy density electrode materials. By incorporating CNMs, the weight of the batteries was reduced by 5-10 times due to low mass loading of

  2. Vibronic coupling density and related concepts

    International Nuclear Information System (INIS)

    Sato, Tohru; Uejima, Motoyuki; Iwahara, Naoya; Haruta, Naoki; Shizu, Katsuyuki; Tanaka, Kazuyoshi

    2013-01-01

    Vibronic coupling density is derived from a general point of view as a one-electron property density. Related concepts as well as their applications are presented. Linear and nonlinear vibronic coupling density and related concepts, orbital vibronic coupling density, reduced vibronic coupling density, atomic vibronic coupling constant, and effective vibronic coupling density, illustrate the origin of vibronic couplings and enable us to design novel functional molecules or to elucidate chemical reactions. Transition dipole moment density is defined as an example of the one-electron property density. Vibronic coupling density and transition dipole moment density open a way to design light-emitting molecules with high efficiency.

  3. Electronic materials

    CERN Document Server

    Kwok, H L

    2010-01-01

    The electronic properties of solids have become of increasing importance in the age of information technology. The study of solids and materials, while having originated from the disciplines of physics and chemistry, has evolved independently over the past few decades. The classical treatment of solid-state physics, which emphasized classifications, theories and fundamental physical principles, is no longer able to bridge the gap between materials advances and applications. In particular, the more recent developments in device physics and technology have not necessarily been driven by new conc

  4. LEGO Materials.

    Science.gov (United States)

    Talapin, Dmitri V

    2008-06-01

    Two papers in this issue report important developments in the field of inorganic nanomaterials. Chen and O'Brien discuss self-assembly of semiconductor nanocrystals into binary nanoparticle superlattices (BNSLs). They show that simple geometrical principles based on maximizing the packing density can determine BNSL symmetry in the absence of cohesive electrostatic interactions. This finding highlights the role of entropy as the driving force for ordering nanoparticles. The other paper, by Weller and co-workers, addresses an important problem related to device integration of nanoparticle assemblies. They employ the Langmuir-Blodgett technique to prepare long-range ordered monolayers of close-packed nanocrystals and transfer them to different substrates.

  5. Density Distributions of Cyclotrimethylenetrinitramines (RDX)

    International Nuclear Information System (INIS)

    Hoffman, D M

    2002-01-01

    As part of the US Army Foreign Comparative Testing (FCT) program the density distributions of six samples of class 1 RDX were measured using the density gradient technique. This technique was used in an attempt to distinguish between RDX crystallized by a French manufacturer (designated insensitive or IRDX) from RDX manufactured at Holston Army Ammunition Plant (HAAP), the current source of RDX for Department of Defense (DoD). Two samples from different lots of French IRDX had an average density of 1.7958 ± 0.0008 g/cc. The theoretical density of a perfect RDX crystal is 1.806 g/cc. This yields 99.43% of the theoretical maximum density (TMD). For two HAAP RDX lots the average density was 1.786 ± 0.002 g/cc, only 98.89% TMD. Several other techniques were used for preliminary characterization of one lot of French IRDX and two lot of HAAP RDX. Light scattering, SEM and polarized optical microscopy (POM) showed that SNPE and Holston RDX had the appropriate particle size distribution for Class 1 RDX. High performance liquid chromatography showed quantities of HMX in HAAP RDX. French IRDX also showed a 1.1 C higher melting point compared to HAAP RDX in the differential scanning calorimetry (DSC) consistent with no melting point depression due to the HMX contaminant. A second part of the program involved characterization of Holston RDX recrystallized using the French process. After reprocessing the average density of the Holston RDX was increased to 1.7907 g/cc. Apparently HMX in RDX can act as a nucleating agent in the French RDX recrystallization process. The French IRDX contained no HMX, which is assumed to account for its higher density and narrower density distribution. Reprocessing of RDX from Holston improved the average density compared to the original Holston RDX, but the resulting HIRDX was not as dense as the original French IRDX. Recrystallized Holston IRDX crystals were much larger (3-500 (micro)m or more) then either the original class 1 HAAP RDX or French

  6. Imaginary time density-density correlations for two-dimensional electron gases at high density

    Energy Technology Data Exchange (ETDEWEB)

    Motta, M.; Galli, D. E. [Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Moroni, S. [IOM-CNR DEMOCRITOS National Simulation Center and SISSA, Via Bonomea 265, 34136 Trieste (Italy); Vitali, E. [Department of Physics, College of William and Mary, Williamsburg, Virginia 23187-8795 (United States)

    2015-10-28

    We evaluate imaginary time density-density correlation functions for two-dimensional homogeneous electron gases of up to 42 particles in the continuum using the phaseless auxiliary field quantum Monte Carlo method. We use periodic boundary conditions and up to 300 plane waves as basis set elements. We show that such methodology, once equipped with suitable numerical stabilization techniques necessary to deal with exponentials, products, and inversions of large matrices, gives access to the calculation of imaginary time correlation functions for medium-sized systems. We discuss the numerical stabilization techniques and the computational complexity of the methodology and we present the limitations related to the size of the systems on a quantitative basis. We perform the inverse Laplace transform of the obtained density-density correlation functions, assessing the ability of the phaseless auxiliary field quantum Monte Carlo method to evaluate dynamical properties of medium-sized homogeneous fermion systems.

  7. Supplementary Material

    Indian Academy of Sciences (India)

    mraga

    1. Supplementary Material. A soluble-lead Redox Flow Battery with corrugated graphite sheet and reticulated vitreous carbon as positive and negative current collectors by A Banerjee et al (pp 163-. 170). Figure S1. SEM images for bare substrates: (a) graphite sheet, (b) 20 ppi RVC, (c) 30 ppi. RVC and (d) 45 ppi RVC.

  8. Emerging Materiality

    DEFF Research Database (Denmark)

    Bertelsen, Olav Wedege; Breinbjerg, Morten; Pold, Søren

    2009-01-01

    The authors examine how materiality emerges from complex chains of mediation in creative software use. The primarily theoretical argument is inspired and illustrated by interviews with two composers of electronic music. The authors argue that computer mediated activity should not primarily be und...

  9. Atmospheric materiality

    DEFF Research Database (Denmark)

    Wieczorek, Izabela

    2016-01-01

    experience and, consequently, to the conceptual and methodological shifts in the production of space, and hence in the way we think about materiality. In this context, architectural space is understood as a contingent construction – a space of engagement that appears to us as a result of continuous...

  10. Absorbant materials

    International Nuclear Information System (INIS)

    Quetier, Monique.

    1978-11-01

    Absorbants play a very important part in the nuclear industry. They serve for the control, shut-down and neutron shielding of reactors and increase the capacity of spent fuel storage pools and of special transport containers. This paper surveys the usual absorbant materials, means of obtainment, their essential characteristics relating to their use and their behaviour under neutron irradiation [fr

  11. Ultra-stiff metallic glasses through bond energy density design.

    Science.gov (United States)

    Schnabel, Volker; Köhler, Mathias; Music, Denis; Bednarcik, Jozef; Clegg, William J; Raabe, Dierk; Schneider, Jochen M

    2017-07-05

    The elastic properties of crystalline metals scale with their valence electron density. Similar observations have been made for metallic glasses. However, for metallic glasses where covalent bonding predominates, such as metalloid metallic glasses, this relationship appears to break down. At present, the reasons for this are not understood. Using high energy x-ray diffraction analysis of melt spun and thin film metallic glasses combined with density functional theory based molecular dynamics simulations, we show that the physical origin of the ultrahigh stiffness in both metalloid and non-metalloid metallic glasses is best understood in terms of the bond energy density. Using the bond energy density as novel materials design criterion for ultra-stiff metallic glasses, we are able to predict a Co 33.0 Ta 3.5 B 63.5 short range ordered material by density functional theory based molecular dynamics simulations with a high bond energy density of 0.94 eV Å -3 and a bulk modulus of 263 GPa, which is 17% greater than the stiffest Co-B based metallic glasses reported in literature.

  12. Comparison of density estimators. [Estimation of probability density functions

    Energy Technology Data Exchange (ETDEWEB)

    Kao, S.; Monahan, J.F.

    1977-09-01

    Recent work in the field of probability density estimation has included the introduction of some new methods, such as the polynomial and spline methods and the nearest neighbor method, and the study of asymptotic properties in depth. This earlier work is summarized here. In addition, the computational complexity of the various algorithms is analyzed, as are some simulations. The object is to compare the performance of the various methods in small samples and their sensitivity to change in their parameters, and to attempt to discover at what point a sample is so small that density estimation can no longer be worthwhile. (RWR)

  13. Friction Material Composites Materials Perspective

    CERN Document Server

    Sundarkrishnaa, K L

    2012-01-01

    Friction Material Composites is the first of the five volumes which strongly educates and updates engineers and other professionals in braking industries, research and test labs. It explains besides the formulation of design processes and its complete manufacturing input. This book gives an idea of mechanisms of friction and how to control them by designing .The book is  useful for designers  of automotive, rail and aero industries for designing the brake systems effectively with the integration of friction material composite design which is critical. It clearly  emphasizes the driving  safety and how serious designers should  select the design input. The significance of friction material component like brake pad or a liner as an integral part of the brake system of vehicles is explained. AFM pictures at nanolevel illustrate broadly the explanations given.

  14. Estimate of energy density on CYCLOPS spatial filter pinhole structure

    International Nuclear Information System (INIS)

    Guch, S. Jr.

    1974-01-01

    The inclusion of a spatial filter between the B and C stages in CYCLOPS to reduce the effects of small-scale beam self-focusing is discussed. An estimate is made of the energy density to which the pinhole will be subjected, and the survivability of various pinhole materials and designs is discussed

  15. A method for determination of the superficial charge density

    International Nuclear Information System (INIS)

    Vila, F.

    1992-10-01

    In this article is presented a new methodism for determination of superficial charge density in nonconducting materials which is based in the combination of laboratory calibrated experiments in conducting surfaces with theoretical calculations for nonconducting surfaces. (author). 19 refs, 7 figs, 1 tab

  16. Bone mineral density among elderly patients with chronic ...

    African Journals Online (AJOL)

    Background: Osteoporosis is one of the major extra-pulmonary manifestations of chronic obstructive pulmonary disease (COPD), which limits the physical activity. The present study was undertaken to study the bone mineral density (BMD) and osteoporosis in the elderly COPD patients. Materials and Methods: This was a ...

  17. Density of Plutonium Turnings Generated from Machining Activities

    Energy Technology Data Exchange (ETDEWEB)

    Gonzales, John Robert [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Vigil, Duane M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Jachimowski, Thomas A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Archuleta, Alonso [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Arellano, Gerald Joseph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Melton, Vince Lee [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-10-20

    The purpose of this project was to determine the density of plutonium (Pu) turnings generated from the range of machining activities, using both surrogate material and machined Pu turnings. Verify that 500 grams (g) of plutonium will fit in a one quart container using a surrogate equivalent volume and that 100 grams of Pu will fit in a one quart Savy container.

  18. Patterned magnetic thin films for ultra high density recording

    NARCIS (Netherlands)

    Haast, M.A.M.

    This thesis describes the results of a research project in the field of high bit-density data-storage media. More specifically, the material aspects of the novel recording technique using patterned media have been studied. The aim of the work was the design, realization and characterization of such

  19. Genetic control of wood density and bark thickness, and their ...

    African Journals Online (AJOL)

    Tree diameter under and over bark at breast height (dbh), wood density and bark thickness were assessed on samples from control-pollinated families of Eucalyptus grandis, E. urophylla, E. grandis × E. urophylla and E. urophylla × E. grandis. The material was planted in field trials in the coastal Zululand region of South ...

  20. Clathrates and beyond: Low-density allotropy in crystalline silicon

    Energy Technology Data Exchange (ETDEWEB)

    Beekman, Matt [Department of Physics, California Polytechnic State University, San Luis Obispo, California 93407 (United States); Wei, Kaya; Nolas, George S., E-mail: gnolas@usf.edu [Department of Physics, University of South Florida, Tampa, Florida 33620 (United States)

    2016-12-15

    In its common, thermodynamically stable state, silicon adopts the same crystal structure as diamond. Although only a few alternative allotropic structures have been discovered and studied over the past six decades, advanced methods for structure prediction have recently suggested a remarkably rich low-density phase space that has only begun to be explored. The electronic properties of these low-density allotropes of silicon, predicted by first-principles calculations, indicate that these materials could offer a pathway to improving performance and reducing cost in a variety of electronic and energy-related applications. In this focus review, we provide an introduction and overview of recent theoretical and experimental results related to low-density allotropes of silicon, highlighting the significant potential these materials may have for technological applications, provided substantial challenges to their experimental preparation can be overcome.

  1. Ultrasound as a probe of dislocation density in aluminum

    International Nuclear Information System (INIS)

    Mujica, Nicolás; Cerda, Maria Teresa; Espinoza, Rodrigo; Lisoni, Judit; Lund, Fernando

    2012-01-01

    Graphical abstract: Display Omitted - Abstract: Dislocations are at the heart of the plastic behavior of crystalline materials yet it is notoriously difficult to perform quantitative, non-intrusive measurements of their single or collective properties. Dislocation density is a critical variable that determines dislocation mobility, strength and ductility. On the one hand, individual dislocations can be probed in detail with transmission electron microscopy. On the other hand, their collective properties must be simulated numerically. Here we show that ultrasound technology can be used to measure dislocation density. This development rests on theory—a generalization of the Granato–Lücke theory for the interaction of elastic waves with dislocations—and resonant ultrasound spectroscopy (RUS) measurements. The chosen material is aluminum, to which different dislocation contents were induced through annealing and cold-rolling processes. The dislocation densities obtained with RUS compare favorably with those inferred from X-ray diffraction, using the modified Williamson–Hall method.

  2. Flash sintering of ceramic materials

    Science.gov (United States)

    Dancer, C. E. J.

    2016-10-01

    During flash sintering, ceramic materials can sinter to high density in a matter of seconds while subjected to electric field and elevated temperature. This process, which occurs at lower furnace temperatures and in shorter times than both conventional ceramic sintering and field-assisted methods such as spark plasma sintering, has the potential to radically reduce the power consumption required for the densification of ceramic materials. This paper reviews the experimental work on flash sintering methods carried out to date, and compares the properties of the materials obtained to those produced by conventional sintering. The flash sintering process is described for oxides of zirconium, yttrium, aluminium, tin, zinc, and titanium; silicon and boron carbide, zirconium diboride, materials for solid oxide fuel applications, ferroelectric materials, and composite materials. While experimental observations have been made on a wide range of materials, understanding of the underlying mechanisms responsible for the onset and latter stages of flash sintering is still elusive. Elements of the proposed theories to explain the observed behaviour include extensive Joule heating throughout the material causing thermal runaway, arrested by the current limitation in the power supply, and the formation of defect avalanches which rapidly and dramatically increase the sample conductivity. Undoubtedly, the flash sintering process is affected by the electric field strength, furnace temperature and current density limit, but also by microstructural features such as the presence of second phase particles or dopants and the particle size in the starting material. While further experimental work and modelling is still required to attain a full understanding capable of predicting the success of the flash sintering process in different materials, the technique non-etheless holds great potential for exceptional control of the ceramic sintering process.

  3. Anti-Ferroelectric Ceramics for High Energy Density Capacitors

    Directory of Open Access Journals (Sweden)

    Aditya Chauhan

    2015-11-01

    Full Text Available With an ever increasing dependence on electrical energy for powering modern equipment and electronics, research is focused on the development of efficient methods for the generation, storage and distribution of electrical power. In this regard, the development of suitable dielectric based solid-state capacitors will play a key role in revolutionizing modern day electronic and electrical devices. Among the popular dielectric materials, anti-ferroelectrics (AFE display evidence of being a strong contender for future ceramic capacitors. AFE materials possess low dielectric loss, low coercive field, low remnant polarization, high energy density, high material efficiency, and fast discharge rates; all of these characteristics makes AFE materials a lucrative research direction. However, despite the evident advantages, there have only been limited attempts to develop this area. This article attempts to provide a focus to this area by presenting a timely review on the topic, on the relevant scientific advancements that have been made with respect to utilization and development of anti-ferroelectric materials for electric energy storage applications. The article begins with a general introduction discussing the need for high energy density capacitors, the present solutions being used to address this problem, and a brief discussion of various advantages of anti-ferroelectric materials for high energy storage applications. This is followed by a general description of anti-ferroelectricity and important anti-ferroelectric materials. The remainder of the paper is divided into two subsections, the first of which presents various physical routes for enhancing the energy storage density while the latter section describes chemical routes for enhanced storage density. This is followed by conclusions and future prospects and challenges which need to be addressed in this particular field.

  4. Nonlocal and Nonadiabatic Effects in the Charge-Density Response of Solids: A Time-Dependent Density-Functional Approach

    Science.gov (United States)

    Panholzer, Martin; Gatti, Matteo; Reining, Lucia

    2018-04-01

    The charge-density response of extended materials is usually dominated by the collective oscillation of electrons, the plasmons. Beyond this feature, however, intriguing many-body effects are observed. They cannot be described by one of the most widely used approaches for the calculation of dielectric functions, which is time-dependent density functional theory (TDDFT) in the adiabatic local density approximation (ALDA). Here, we propose an approximation to the TDDFT exchange-correlation kernel which is nonadiabatic and nonlocal. It is extracted from correlated calculations in the homogeneous electron gas, where we have tabulated it for a wide range of wave vectors and frequencies. A simple mean density approximation allows one to use it in inhomogeneous materials where the density varies on a scale of 1.6 rs or faster. This kernel contains effects that are completely absent in the ALDA; in particular, it correctly describes the double plasmon in the dynamic structure factor of sodium, and it shows the characteristic low-energy peak that appears in systems with low electronic density. It also leads to an overall quantitative improvement of spectra.

  5. Determining the Limiting Current Density of Vanadium Redox Flow Batteries

    Directory of Open Access Journals (Sweden)

    Jen-Yu Chen

    2014-09-01

    Full Text Available All-vanadium redox flow batteries (VRFBs are used as energy storage systems for intermittent renewable power sources. The performance of VRFBs depends on materials of key components and operating conditions, such as current density, electrolyte flow rate and electrolyte composition. Mass transfer overpotential is affected by the electrolyte flow rate and electrolyte composition, which is related to the limiting current density. In order to investigate the effect of operating conditions on mass transport overpotential, this study established a relationship between the limiting current density and operating conditions. First, electrolyte solutions with different states of charge were prepared and used for a single cell to obtain discharging polarization curves under various operating conditions. The experimental results were then analyzed and are discussed in this paper. Finally, this paper proposes a limiting current density as a function of operating conditions. The result helps predict the effect of operating condition on the cell performance in a mathematical model.

  6. A novel muon detector for borehole density tomography

    Science.gov (United States)

    Bonneville, Alain; Kouzes, Richard T.; Yamaoka, Jared; Rowe, Charlotte; Guardincerri, Elena; Durham, J. Matthew; Morris, Christopher L.; Poulson, Daniel C.; Plaud-Ramos, Kenie; Morley, Deborah J.; Bacon, Jeffrey D.; Bynes, James; Cercillieux, Julien; Ketter, Chris; Le, Khanh; Mostafanezhad, Isar; Varner, Gary; Flygare, Joshua; Lintereur, Azaree T.

    2017-04-01

    Muons can be used to image the density of materials through which they pass, including geological structures. Subsurface applications of the technology include tracking fluid migration during injection or production, with increasing concern regarding such timely issues as induced seismicity or chemical leakage into aquifers. Current density monitoring options include gravimetric data collection and active or passive seismic surveys. One alternative, or complement, to these methods is the development of a muon detector that is sufficiently compact and robust for deployment in a borehole. Such a muon detector can enable imaging of density structure to monitor small changes in density - a proxy for fluid migration - at depths up to 1500 m. Such a detector has been developed, and Monte Carlo modeling methods applied to simulate the anticipated detector response. Testing and measurements using a prototype detector in the laboratory and shallow underground laboratory demonstrated robust response. A satisfactory comparison with a large drift tube-based muon detector is also presented.

  7. Numerical analysis of wet separation of particles by density differences

    Science.gov (United States)

    Markauskas, D.; Kruggel-Emden, H.

    2017-07-01

    Wet particle separation is widely used in mineral processing and plastic recycling to separate mixtures of particulate materials into further usable fractions due to density differences. This work presents efforts aiming to numerically analyze the wet separation of particles with different densities. In the current study the discrete element method (DEM) is used for the solid phase while the smoothed particle hydrodynamics (SPH) is used for modeling of the liquid phase. The two phases are coupled by the use of a volume averaging technique. In the current study, simulations of spherical particle separation were performed. In these simulations, a set of generated particles with two different densities is dropped into a rectangular container filled with liquid. The results of simulations with two different mixtures of particles demonstrated how separation depends on the densities of particles.

  8. Role of baseline nodule density and changes in density and nodule features in the discrimination between benign and malignant solid indeterminate pulmonary nodules

    NARCIS (Netherlands)

    Xu, D.M.; van Klaveren, R.J.; de Bock, G.H.; Leusveld, A.L.M.; Dorrius, M.D.; Zhao, Y.; Wang, Y.; de Koning, H.J.; Scholten, E.T.; Verschakelen, J.; Prokop, M.; Oudkerk, M.

    Purpose: To retrospectively evaluate whether baseline nodule density or changes in density or nodule features could be used to discriminate between benign and malignant solid indeterminate nodules. Materials and methods: Solid indeterminate nodules between 50 and 500 mm(3) (4.6-9.8 mm) were assessed

  9. Current interruption by density depression

    International Nuclear Information System (INIS)

    Wagner, J.S.; Tajima, T.; Akasofu, S.I.

    1985-04-01

    Using a one-dimensional electrostatic particle code, we examine processes associated with current interruption in a collisionless plasma when a density depression is present along the current channel. Current interruption due to double layers was suggested by Alfven and Carlqvist (1967) as a cause of solar flares. At a local density depression, plasma instabilities caused by an electron current flow are accentuated, leading to current disruption. Our simulation study encompasses a wide range of the parameters in such a way that under appropriate conditions, both the Alfven and Carlqvist (1967) regime and the Smith and Priest (1972) regime take place. In the latter regime the density depression decays into a stationary structure (''ion-acoustic layer'') which spawns a series of ion-acoustic ''solitons'' and ion phase space holes travelling upstream. A large inductance of the current circuit tends to enhance the plasma instabilities

  10. Sleep spindle density in narcolepsy

    DEFF Research Database (Denmark)

    Christensen, Julie Anja Engelhard; Nikolic, Miki; Hvidtfelt, Mathias

    2017-01-01

    BACKGROUND: Patients with narcolepsy type 1 (NT1) show alterations in sleep stage transitions, rapid-eye-movement (REM) and non-REM sleep due to the loss of hypocretinergic signaling. However, the sleep microstructure has not yet been evaluated in these patients. We aimed to evaluate whether...... the sleep spindle (SS) density is altered in patients with NT1 compared to controls and patients with narcolepsy type 2 (NT2). METHODS: All-night polysomnographic recordings from 28 NT1 patients, 19 NT2 patients, 20 controls (C) with narcolepsy-like symptoms, but with normal cerebrospinal fluid hypocretin...... levels and multiple sleep latency tests, and 18 healthy controls (HC) were included. Unspecified, slow, and fast SS were automatically detected, and SS densities were defined as number per minute and were computed across sleep stages and sleep cycles. The between-cycle trends of SS densities in N2...

  11. High Energy Density Laboratory Astrophysics

    CERN Document Server

    Lebedev, Sergey V

    2007-01-01

    During the past decade, research teams around the world have developed astrophysics-relevant research utilizing high energy-density facilities such as intense lasers and z-pinches. Every two years, at the International conference on High Energy Density Laboratory Astrophysics, scientists interested in this emerging field discuss the progress in topics covering: - Stellar evolution, stellar envelopes, opacities, radiation transport - Planetary Interiors, high-pressure EOS, dense plasma atomic physics - Supernovae, gamma-ray bursts, exploding systems, strong shocks, turbulent mixing - Supernova remnants, shock processing, radiative shocks - Astrophysical jets, high-Mach-number flows, magnetized radiative jets, magnetic reconnection - Compact object accretion disks, x-ray photoionized plasmas - Ultrastrong fields, particle acceleration, collisionless shocks. These proceedings cover many of the invited and contributed papers presented at the 6th International Conference on High Energy Density Laboratory Astrophys...

  12. Materials Science

    Science.gov (United States)

    2003-01-01

    The Materials Science Program is structured so that NASA s headquarters is responsible for the program content and selection, through the Enterprise Scientist, and MSFC provides for implementation of ground and flight programs with a Discipline Scientist and Discipline Manager. The Discipline Working Group of eminent scientists from outside of NASA acts in an advisory capacity and writes the Discipline Document from which the NRA content is derived. The program is reviewed approximately every three years by groups such as the Committee on Microgravity Research, the National Materials Advisory Board, and the OBPR Maximization and Prioritization (ReMaP) Task Force. The flight program has had as many as twenty-six principal investigators (PIs) in flight or flight definition stage, with the numbers of PIs in the future dependent on the results of the ReMaP Task Force and internal reviews. Each project has a NASA-appointed Project Scientist, considered a half-time job, who assists the PI in understanding and preparing for internal reviews such as the Science Concept Review and Requirements Definition Review. The Project Scientist also insures that the PI gets the maximum science support from MSFC, represents the PI to the MSFC community, and collaborates with the Project Manager to insure the project is well-supported and remains vital. Currently available flight equipment includes the Materials Science Research Rack (MSRR-1) and Microgravity Science Glovebox. Ground based projects fall into one or more of several categories. Intellectual Underpinning of Flight Program projects include theoretical studies backed by modeling and computer simulations; bring to maturity new research, often by young researchers, and may include preliminary short duration low gravity experiments in the KC-135 aircraft or drop tube; enable characterization of data sets from previous flights; and provide thermophysical property determinations to aid PIs. Radiation Shielding and preliminary In

  13. Magnetocaloric materials

    Energy Technology Data Exchange (ETDEWEB)

    Jeppesen, Stinus

    2008-10-15

    New and improved magnetocaloric materials are one of the cornerstones in the development of room temperature magnetic refrigeration. Magnetic refrigeration has been used since the 1930ies in cryogenic applications, but has since the discovery of room temperature refrigerants received enormous attention. This Ph.D. work has been mainly concerned with developing a new technique to characterize the magnetocaloric effect (MCE) and using this technique in the investigations on new and improved magnetocaloric materials. For this purpose a novel differential scanning calorimeter (DSC) with applied magnetic fields was developed for measuring heat capacity as function of magnetic field. Measurements using the developed DSC demonstrate a very high sensitivity, fast measurements and good agreement with results obtained by other techniques. Furthermore, two material systems have been described in this work. Both systems take basis in the mixed-valence manganite system La{sub 1-x}Ca{sub x}MnO{sub 3} well known from research on colossal magnetoresistance (CMR). The mixed-valence manganite crystallizes in the perovskite structure of general formula ABO{sub 3}. The first material system is designed to investigate the influence of low level Cu doping on the B-site. Six different samples were prepared with over-stoichiometric compositions La{sub 0.67}Ca{sub 0.33}Mn{sub 1.05}Cu{sub x}O{sub 3}, x=0, 1, 2, 3, 4 and 5%. All compositions crystallized well in the same perovskite structure, but the morphology of the samples changed drastically with doping. Investigation on the magnetocaloric properties revealed that small levels of Cu up to around 3% could improve the magnetocaloric performance of the materials. Furthermore, Cu could be used to tune the temperature interval without deteriorating the MCE, which is a much desired characteristic for potential use in magnetic refrigerators. A less comprehensive part of the work has been concerned with the investigation of doping on the A

  14. Energy vs. density on paths toward exact density functionals

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2018-01-01

    Recently, the progression toward more exact density functional theory has been questioned, implying a need for more formal ways to systematically measure progress, i.e. a “path”. Here I use the Hohenberg-Kohn theorems and the definition of normality by Burke et al. to define a path toward exactness...

  15. Materializing Superghosts

    OpenAIRE

    Alexandrov, Victor; Krotov, Dmitry; Losev, Andrei; Lysov, Vyacheslav

    2007-01-01

    We construct the off-shell BV realization of N=1, d=10 SYM with 7 auxillary fields. This becomes possible due to materialized ghost phenomenon. Namely, supersymmetry ghosts are coordinates on a manifold B of 10-dimensional spinors with pure spinors cut out. Auxillary fields are sections of a bundle over B, and supersymmetry transformations are nonlinear in ghosts. By integrating out axillary fields we obtain on-shell supersymmetric BV action with terms quadratic in antifields. Exactly this on...

  16. Material monitoring

    International Nuclear Information System (INIS)

    Kotter, W.; Zirker, L.; Hancock, J.A.

    1995-01-01

    Waste Reduction Operations Complex (WROC) facilities are located at the Idaho National Engineering Laboratory (INEL). The overall goal for the Pollution Prevention/Waste Minimization Unit is to identify and establish the correct amount of waste generated so that it can be reduced. Quarterly, the INEL Pollution Prevention (P2) Unit compares the projected amount of waste generated per process with the actual amount generated. Examples of waste streams that would be addresses for our facility would include be are not limited to: Maintenance, Upgrades, Office and Scrap Metal. There are three potential sources of this variance: inaccurate identification of those who generate the waste; inaccurate identification of the process that generates the waste; and inaccurate measurement of the actual amount generated. The Materials Monitoring Program was proposed to identify the sources of variance and reduce the variance to an acceptable level. Prior to the implementation of the Material Monitoring Program, all information that was gathered and recorded was done so through an informal estimation of waste generated by various personnel concerned with each processes. Due to the inaccuracy of the prior information gathering system, the Material Monitoring Program was established. The heart of this program consists of two main parts. In the first part potential waste generators provide information on projected waste generation process. In the second part, Maintenance, Office, Scrap Metal and Facility Upgrade wastes from given processes is disposed within the appropriate bin dedicated to that process. The Material Monitoring Program allows for the more accurate gathering of information on the various waste types that are being generated quarterly

  17. An Electrochemical Capacitor with Applicable Energy Density of 7.4 Wh/kg at Average Power Density of 3000 W/kg.

    Science.gov (United States)

    Zhai, Teng; Lu, Xihong; Wang, Hanyu; Wang, Gongming; Mathis, Tyler; Liu, Tianyu; Li, Cheng; Tong, Yexiang; Li, Yat

    2015-05-13

    Electrochemical capacitors represent a new class of charge storage devices that can simultaneously achieve high energy density and high power density. Previous reports have been primarily focused on the development of high performance capacitor electrodes. Although these electrodes have achieved excellent specific capacitance based on per unit mass of active materials, the gravimetric energy densities calculated based on the weight of entire capacitor device were fairly small. This is mainly due to the large mass ratio between current collector and active material. We aimed to address this issue by a 2-fold approach of minimizing the mass of current collector and increasing the electrode performance. Here we report an electrochemical capacitor using 3D graphene hollow structure as current collector, vanadium sulfide and manganese oxide as anode and cathode materials, respectively. 3D graphene hollow structure provides a lightweight and highly conductive scaffold for deposition of pseudocapacitive materials. The device achieves an excellent active material ratio of 24%. Significantly, it delivers a remarkable energy density of 7.4 Wh/kg (based on the weight of entire device) at the average power density of 3000 W/kg. This is the highest gravimetric energy density reported for asymmetric electrochemical capacitors at such a high power density.

  18. Electron and Positron Stopping Powers of Materials

    Science.gov (United States)

    SRD 7 NIST Electron and Positron Stopping Powers of Materials (PC database for purchase)   The EPSTAR database provides rapid calculations of stopping powers (collisional, radiative, and total), CSDA ranges, radiation yields and density effect corrections for incident electrons or positrons with kinetic energies from 1 keV to 10 GeV, and for any chemically defined target material.

  19. Material science experiments on the Atlas Facility

    International Nuclear Information System (INIS)

    Keinigs, Rhonald K.; Atchison, Walter L.; Faehl, Rickey J.; Lindemuth, Irvin R.; Anderson, Wallace E.; Bartsch, Robert Richard; Flower-Maudlin, Elane C.; Hammerberg, James E.; Holtkamp, David B.; Jones, Michael E.; Kyrala, George A.; Oro, David M.; Parker, Jerald V.; Preston, Dean L.; Reinovsky, Robert E.; Scudder, David W.; Sheehey, Peter T.; Shlacter, Jack S.; Stokes, John L.; Taylor, Antoinette J.; Tonks, Davis L.; Turchi, Peter J.

    2001-01-01

    Three material properties experiments that are to be performed on the Atlas pulsed power facility are described; friction at sliding metal interfaces, spallation and damage in convergent geomety, and plastic flow at high strain and high strain rate. Construction of this facility has been completed and experiments in high energy density hydrodynamics and material dynamics will begin in 2001.

  20. Density dependence of the nuclear energy-density functional

    Science.gov (United States)

    Papakonstantinou, Panagiota; Park, Tae-Sun; Lim, Yeunhwan; Hyun, Chang Ho

    2018-01-01

    Background: The explicit density dependence in the coupling coefficients entering the nonrelativistic nuclear energy-density functional (EDF) is understood to encode effects of three-nucleon forces and dynamical correlations. The necessity for the density-dependent coupling coefficients to assume the form of a preferably small fractional power of the density ρ is empirical and the power is often chosen arbitrarily. Consequently, precision-oriented parametrizations risk overfitting in the regime of saturation and extrapolations in dilute or dense matter may lose predictive power. Purpose: Beginning with the observation that the Fermi momentum kF, i.e., the cubic root of the density, is a key variable in the description of Fermi systems, we first wish to examine if a power hierarchy in a kF expansion can be inferred from the properties of homogeneous matter in a domain of densities, which is relevant for nuclear structure and neutron stars. For subsequent applications we want to determine a functional that is of good quality but not overtrained. Method: For the EDF, we fit systematically polynomial and other functions of ρ1 /3 to existing microscopic, variational calculations of the energy of symmetric and pure neutron matter (pseudodata) and analyze the behavior of the fits. We select a form and a set of parameters, which we found robust, and examine the parameters' naturalness and the quality of resulting extrapolations. Results: A statistical analysis confirms that low-order terms such as ρ1 /3 and ρ2 /3 are the most relevant ones in the nuclear EDF beyond lowest order. It also hints at a different power hierarchy for symmetric vs. pure neutron matter, supporting the need for more than one density-dependent term in nonrelativistic EDFs. The functional we propose easily accommodates known or adopted properties of nuclear matter near saturation. More importantly, upon extrapolation to dilute or asymmetric matter, it reproduces a range of existing microscopic

  1. Advanced materials processing

    International Nuclear Information System (INIS)

    Giamei, A.F.

    1993-01-01

    Advanced materials will require improved processing methods due to high melting points, low toughness or ductility values, high reactivity with air or ceramics and typically complex crystal structures with significant anisotropy in flow and/or fracture stress. Materials for structural applications at elevated temperature in critical systems will require processing with a high degree of control. This requires an improved understanding of the relationship between process variables and microstructure to enable control systems to achieve consistently high quality. One avenue to the required level of understanding is computer simulation. Past attempts to do process modeling have been hampered by incomplete data regarding thermophysical or mechanical material behavior. Some of the required data can be calculated. Due to the advances in software and hardware, accuracy and costs are in the realm of acquiring experimental data. Such calculations can, for example, be done at an atomic level to compute lattice energy, fault energies, density of states and charge densities. These can lead to fundamental information about the competition between slip and fracture, anisotropy of bond strength (and therefore cleavage strength), cohesive strength, adhesive strength, elastic modulus, thermal expansion and possibly other quantities which are difficult (and therefore expensive to measure). Some of these quantities can be fed into a process model. It is probable that temperature dependencies can be derived numerically as well. Examples are given of the beginnings of such an approach for Ni 3 Al and MoSi 2 . Solidification problems are examples of the state-of-the-art process modeling and adequately demonstrate the need for extensive input data. Such processes can be monitored in terms of interfacial position vs. time, cooling rate and thermal gradient

  2. Thermoelectric Materials

    Science.gov (United States)

    Gao, Peng; Berkun, Isil; Schmidt, Robert D.; Luzenski, Matthew F.; Lu, Xu; Bordon Sarac, Patricia; Case, Eldon D.; Hogan, Timothy P.

    2014-06-01

    Mg2(Si,Sn) compounds are promising candidate low-cost, lightweight, nontoxic thermoelectric materials made from abundant elements and are suited for power generation applications in the intermediate temperature range of 600 K to 800 K. Knowledge on the transport and mechanical properties of Mg2(Si,Sn) compounds is essential to the design of Mg2(Si,Sn)-based thermoelectric devices. In this work, such materials were synthesized using the molten-salt sealing method and were powder processed, followed by pulsed electric sintering densification. A set of Mg2.08Si0.4- x Sn0.6Sb x (0 ≤ x ≤ 0.072) compounds were investigated, and a peak ZT of 1.50 was obtained at 716 K in Mg2.08Si0.364Sn0.6Sb0.036. The high ZT is attributed to a high electrical conductivity in these samples, possibly caused by a magnesium deficiency in the final product. The mechanical response of the material to stresses is a function of the elastic moduli. The temperature-dependent Young's modulus, shear modulus, bulk modulus, Poisson's ratio, acoustic wave speeds, and acoustic Debye temperature of the undoped Mg2(Si,Sn) compounds were measured using resonant ultrasound spectroscopy from 295 K to 603 K. In addition, the hardness and fracture toughness were measured at room temperature.

  3. Radiopacity of root filling materials

    International Nuclear Information System (INIS)

    Beyer-Olsen, E.M.

    1983-01-01

    A method for measuring the radiopacity of root filling materials is described. Direct measurements were made of the optic density values of the materials in comparison with a standard curve relating optic density to the thickness of an aluminium step wedge exposed simultaneously. By proper selection of film and conditions for exposure and development, it was possible to obtain a near-linear standard curve which added to the safety and reproducibility of the method. The technique of radiographic assessment was modified from clinical procedures in evaluating the obturation in radiographs, and it was aimed at detecting slits or voids between the dental wall and the filling material. This radiographic assessment of potensial leakage was compared with actual in vitro lekage of dye (basic fuchsin) into the roots of filled teeth. The result of the investigation show that root filling materials display a very wide range of radiopacity, from less than 3 mm to more than 12 mm of aluminium. It also seem that tooth roots that appear to be well obturated by radiographic evaluation, stand a good chance of beeing resistant to leakage in vitro, and that the type of filling material rather than its radiographic appearance, determines the susceptibility of the filled tooth to leakage in vitro. As an appendix the report contains a survey of radiopaque additives in root filling materials

  4. Six Decades of Spiral Density Wave Theory

    Science.gov (United States)

    Shu, Frank H.

    2016-09-01

    The theory of spiral density waves had its origin approximately six decades ago in an attempt to reconcile the winding dilemma of material spiral arms in flattened disk galaxies. We begin with the earliest calculations of linear and nonlinear spiral density waves in disk galaxies, in which the hypothesis of quasi-stationary spiral structure (QSSS) plays a central role. The earliest success was the prediction of the nonlinear compression of the interstellar medium and its embedded magnetic field; the earliest failure, seemingly, was not detecting color gradients associated with the migration of OB stars whose formation is triggered downstream from the spiral shock front. We give the reasons for this apparent failure with an update on the current status of the problem of OB star formation, including its relationship to the feathering substructure of galactic spiral arms. Infrared images can show two-armed, grand design spirals, even when the optical and UV images show flocculent structures. We suggest how the nonlinear response of the interstellar gas, coupled with overlapping subharmonic resonances, might introduce chaotic behavior in the dynamics of the interstellar medium and Population I objects, even though the underlying forces to which they are subject are regular. We then move to a discussion of resonantly forced spiral density waves in a planetary ring and their relationship to the ideas of disk truncation, and the shepherding of narrow rings by satellites orbiting nearby. The back reaction of the rings on the satellites led to the prediction of planet migration in protoplanetary disks, which has had widespread application in the exploding data sets concerning hot Jupiters and extrasolar planetary systems. We then return to the issue of global normal modes in the stellar disk of spiral galaxies and its relationship to the QSSS hypothesis, where the central theoretical concepts involve waves with negative and positive surface densities of energy and angular

  5. Detection of Mild Emphysema by Computed Tomography Density Measurements

    International Nuclear Information System (INIS)

    Vikgren, J.; Friman, O.; Borga, M.; Boijsen, M.; Gustavsson, S.; Bake, B.; Tylen, U.; Ekberg-Jansson, A.

    2005-01-01

    Purpose: To assess the ability of a conventional density mask method to detect mild emphysema by high-resolution computed tomography (HRCT); to analyze factors influencing quantification of mild emphysema; and to validate a new algorithm for detection of mild emphysema. Material and Methods: Fifty-five healthy male smokers and 34 never-smokers, 61-62 years of age, were examined. Emphysema was evaluated visually, by the conventional density mask method, and by a new algorithm compensating for the effects of gravity and artifacts due to motion and the reconstruction algorithm. Effects of the reconstruction algorithm, slice thickness, and various threshold levels on the outcome of the density mask area were evaluated. Results: Forty-nine percent of the smokers had mild emphysema. The density mask area was higher the thinner the slice irrespective of the reconstruction algorithm and threshold level. The sharp algorithm resulted in increased density mask area. The new reconstruction algorithm could discriminate between smokers with and those without mild emphysema, whereas the density mask method could not. The diagnostic ability of the new algorithm was dependent on lung level. At about 90% specificity, sensitivity was 65-100% in the apical levels, but low in the rest of the lung. Conclusion: The conventional density mask method is inadequate for detecting mild emphysema, while the new algorithm improves the diagnostic ability but is nevertheless still imperfect

  6. Simulating QCD at finite density

    CERN Document Server

    de Forcrand, Philippe

    2009-01-01

    In this review, I recall the nature and the inevitability of the "sign problem" which plagues attempts to simulate lattice QCD at finite baryon density. I present the main approaches used to circumvent the sign problem at small chemical potential. I sketch how one can predict analytically the severity of the sign problem, as well as the numerically accessible range of baryon densities. I review progress towards the determination of the pseudo-critical temperature T_c(mu), and towards the identification of a possible QCD critical point. Some promising advances with non-standard approaches are reviewed.

  7. Momentum density maps for molecules

    International Nuclear Information System (INIS)

    Cook, J.P.D.; Brion, C.E.

    1982-01-01

    Momentum-space and position-space molecular orbital density functions computed from LCAO-MO-SCF wavefunctions are used to rationalize the shapes of some momentum distributions measured by binary (e,2e) spectroscopy. A set of simple rules is presented which enable one to sketch the momentum density function and the momentum distribution from a knowledge of the position-space wavefunction and the properties and effects of the Fourier Transform and the spherical average. Selected molecular orbitals of H 2 , N 2 and CO 2 are used to illustrate this work

  8. Photoionization and High Density Gas

    Science.gov (United States)

    Kallman, T.; Bautista, M.; White, Nicholas E. (Technical Monitor)

    2002-01-01

    We present results of calculations using the XSTAR version 2 computer code. This code is loosely based on the XSTAR v.1 code which has been available for public use for some time. However it represents an improvement and update in several major respects, including atomic data, code structure, user interface, and improved physical description of ionization/excitation. In particular, it now is applicable to high density situations in which significant excited atomic level populations are likely to occur. We describe the computational techniques and assumptions, and present sample runs with particular emphasis on high density situations.

  9. Flashing coupled density wave oscillation

    International Nuclear Information System (INIS)

    Jiang Shengyao; Wu Xinxin; Zhang Youjie

    1997-07-01

    The experiment was performed on the test loop (HRTL-5), which simulates the geometry and system design of the 5 MW reactor. The phenomenon and mechanism of different kinds of two-phase flow instabilities, namely geyser instability, flashing instability and flashing coupled density wave instability are described. The especially interpreted flashing coupled density wave instability has never been studied well, it is analyzed by using a one-dimensional non-thermo equilibrium two-phase flow drift model computer code. Calculations are in good agreement with the experiment results. (5 refs.,5 figs., 1 tab.)

  10. High-density multicore fibers

    DEFF Research Database (Denmark)

    Takenaga, K.; Matsuo, S.; Saitoh, K.

    2016-01-01

    High-density single-mode multicore fibers were designed and fabricated. A heterogeneous 30-core fiber realized a low crosstalk of −55 dB. A quasi-single-mode homogeneous 31-core fiber attained the highest core count as a single-mode multicore fiber.......High-density single-mode multicore fibers were designed and fabricated. A heterogeneous 30-core fiber realized a low crosstalk of −55 dB. A quasi-single-mode homogeneous 31-core fiber attained the highest core count as a single-mode multicore fiber....

  11. High density operation in pulsator

    International Nuclear Information System (INIS)

    Klueber, O.; Cannici, B.; Engelhardt, W.; Gernhardt, J.; Glock, E.; Karger, F.; Lisitano, G.; Mayer, H.M.; Meisel, D.; Morandi, P.

    1976-03-01

    This report summarizes the results of experiments at high electron densities (>10 14 cm -3 ) which have been achieved by pulsed gas inflow during the discharge. At these densities a regime is established which is characterized by βsub(p) > 1, nsub(i) approximately nsub(e), Tsub(i) approximately Tsub(e) and tausub(E) proportional to nsub(e). Thus the toroidal magnetic field contributes considerably to the plasma confinement and the ions constitute almost half of the plasma pressure. Furthermore, the confinement is appreciably improved and the plasma becomes impermeable to hot neutrals. (orig.) [de

  12. FOREWORD: Materials metrology Materials metrology

    Science.gov (United States)

    Bennett, Seton; Valdés, Joaquin

    2010-04-01

    It seems that so much of modern life is defined by the materials we use. From aircraft to architecture, from cars to communications, from microelectronics to medicine, the development of new materials and the innovative application of existing ones have underpinned the technological advances that have transformed the way we live, work and play. Recognizing the need for a sound technical basis for drafting codes of practice and specifications for advanced materials, the governments of countries of the Economic Summit (G7) and the European Commission signed a Memorandum of Understanding in 1982 to establish the Versailles Project on Advanced Materials and Standards (VAMAS). This project supports international trade by enabling scientific collaboration as a precursor to the drafting of standards. The VAMAS participants recognized the importance of agreeing a reliable, universally accepted basis for the traceability of the measurements on which standards depend for their preparation and implementation. Seeing the need to involve the wider metrology community, VAMAS approached the Comité International des Poids et Mesures (CIPM). Following discussions with NMI Directors and a workshop at the BIPM in February 2005, the CIPM decided to establish an ad hoc Working Group on the metrology applicable to the measurement of material properties. The Working Group presented its conclusions to the CIPM in October 2007 and published its final report in 2008, leading to the signature of a Memorandum of Understanding between VAMAS and the BIPM. This MoU recognizes the work that is already going on in VAMAS as well as in the Consultative Committees of the CIPM and establishes a framework for an ongoing dialogue on issues of materials metrology. The question of what is meant by traceability in the metrology of the properties of materials is particularly vexed when the measurement results depend on a specified procedure. In these cases, confidence in results requires not only traceable

  13. On the mechanism of charge transport in low density polyethylene

    Science.gov (United States)

    Upadhyay, Avnish K.; Reddy, C. C.

    2017-08-01

    Polyethylene based polymeric insulators, are being increasingly used in the power industry for their inherent advantages over conventional insulation materials. Specifically, modern power cables are almost made with these materials, replacing the mass-impregnated oil-paper cable technology. However, for ultra-high dc voltage applications, the use of these polymeric cables is hindered by ununderstood charge transport and accumulation. The conventional conduction mechanisms (Pool-Frenkel, Schottky, etc.) fail to track high-field charge transport in low density polyethylene, which is semi-crystalline in nature. Until now, attention was devoted mainly to the amorphous region of the material. In this paper, authors propose a novel mechanism for conduction in low density polyethylene, which could successfully track experimental results. As an implication, a novel, substantial relationship is established for electrical conductivity that could be effectively used for understanding conduction and breakdown in polyethylene, which is vital for successful development of ultra-high voltage dc cables.

  14. Creating Great Neighborhoods: Density in Your Community

    Science.gov (United States)

    This report highlights nine community-led efforts to create vibrant neighborhoods through density, discusses the connections between smart growth and density, and introduces design principles to ensure that density becomes a community asset.

  15. Light-material interactions in laser material processing

    International Nuclear Information System (INIS)

    Chiang, S.; Albright, C.E.

    1989-01-01

    The authors discusses how light interactions with materials in laser material processing operations occur by a variety of mechanisms depending on the material being processed, the wavelength of the laser light, the gaseous environment, and the physical state of the material surface. The high reflectivity of metals limits the fraction of the beam power absorbed by the solid metal surface. For metals in the solid state, reflectivity increases as the wavelength of the laser light and the electrical conductivity of the metal increase. The reflectivity of metals is reduced upon heating to the melting point, and further reduced upon melting. At high power densities the liquid metal surface is heated so quickly that very rapid vaporization occurs. The recoil force produced by the evaporation causes a depression in the liquid/vapor interface. The keyhole resulting from this depression allows for multiple reflections and thus increases beam absorption in the liquid

  16. Level densities in nuclear physics

    International Nuclear Information System (INIS)

    Beckerman, M.

    1978-01-01

    In the independent-particle model nucleons move independently in a central potential. There is a well-defined set of single- particle orbitals, each nucleon occupies one of these orbitals subject to Fermi statistics, and the total energy of the nucleus is equal to the sum of the energies of the individual nucleons. The basic question is the range of validity of this Fermi gas description and, in particular, the roles of the residual interactions and collective modes. A detailed examination of experimental level densities in light-mass system is given to provide some insight into these questions. Level densities over the first 10 MeV or so in excitation energy as deduced from neutron and proton resonances data and from spectra of low-lying bound levels are discussed. To exhibit some of the salient features of these data comparisons to independent-particle (shell) model calculations are presented. Shell structure is predicted to manifest itself through discontinuities in the single-particle level density at the Fermi energy and through variatons in the occupancy of the valence orbitals. These predictions are examined through combinatorial calculations performed with the Grover [Phys. Rev., 157, 832(1967), 185 1303(1969)] odometer method. Before the discussion of the experimenta results, statistical mechanical level densities for spherical nuclei are reviewed. After consideration of deformed nuclei, the conclusions resulting from this work are drawn. 7 figures, 3 tables

  17. Solar corona electron density distribution

    International Nuclear Information System (INIS)

    Esposito, P.B.; Edenhofer, P.; Lueneburg, E.

    1980-01-01

    Three and one-half months of single-frequency (f= 0 2.2 x 10 9 Hz) time delay data (earth-to-spacecraft and return signal travel time) were acquired from the Helios 2 spacecraft around the time of its solar occupation (May 16, 1976). Following the determination of the spacecraft trajectory the excess time delay due to the integrated effect of free electrons along the signal's ray path could be separated and modeled. An average solar corona, equatorial, electron density profile, during solar minimum, was deduced from time delay measurements acquired within 5--60 solar radii (R/sub S/) of the sun. As a point of reference, at 10 R/sub S/ from the sun we find an average electron density of 4500 el cm -3 . However, there appears to be an asymmtry in the electron density as the ray path moved from the west (preoccultation) to east (post-occulation) solar limb. This may be related to the fact that during entry into occulation the heliographic latitude of the ray path (at closes approach to the sun) was about 6 0 , whereas during exit it became -7 0 . The Helios electron density model is compared with similar models deduced from a variety of different experimental techniques. Within 5--20 R/sub S/ of the sun the models separate according to solar minimum or maximum conditions; however, anomalies are evident

  18. Electron densities in planetary nebulae

    International Nuclear Information System (INIS)

    Stanghellini, L.; Kaler, J.B.

    1989-01-01

    Electron densities for 146 planetary nebulae have been obtained for analyzing a large sample of forbidden lines by interpolating theoretical curves obtained from solutions of the five-level atoms using up-to-date collision strengths and transition probabilities. Electron temperatures were derived from forbidden N II and/or forbidden O III lines or were estimated from the He II 4686 A line strengths. The forbidden O II densities are generally lower than those from forbidden Cl III by an average factor of 0.65. For data sets in which forbidden O II and forbidden S II were observed in common, the forbidden O II values drop to 0.84 that of the forbidden S II, implying that the outermost parts of the nebulae might have elevated densities. The forbidden Cl II and forbidden Ar IV densities show the best correlation, especially where they have been obtained from common data sets. The data give results within 30 percent of one another, assuming homogeneous nebulae. 106 refs

  19. High density matter at RHIC

    Indian Academy of Sciences (India)

    QCD predicts a phase transition between hadronic matter and a quark-gluon plasma at high energy density. The relativistic heavy ion collider (RHIC) at Brookhaven National Laboratory is a new facility dedicated to the experimental study of matter under extreme conditions. Already the first round of experimental results at ...

  20. density-dependent selection revisited

    Indian Academy of Sciences (India)

    Unknown

    is a more useful way of looking at density-dependent selection, and then go on ... these models was that the condition for maintenance of ... In a way, their formulation may be viewed as ... different than competition among species, and typical.