atomic-scale intracellular water: Topics by WorldWideScience.org

Sample records for atomic-scale intracellular water

Detection of Metabolic Fluxes of O and H Atoms into Intracellular Water in Mammalian Cells

Science.gov (United States)

Kreuzer, Helen W.; Quaroni, Luca; Podlesak, David W.; Zlateva, Theodora; Bollinger, Nikki; McAllister, Aaron; Lott, Michael J.; Hegg, Eric L.

2012-01-01

Metabolic processes result in the release and exchange of H and O atoms from organic material as well as some inorganic salts and gases. These fluxes of H and O atoms into intracellular water result in an isotopic gradient that can be measured experimentally. Using isotope ratio mass spectroscopy, we revealed that slightly over 50% of the H and O atoms in the intracellular water of exponentially-growing cultured Rat-1 fibroblasts were isotopically distinct from growth medium water. We then employed infrared spectromicroscopy to detect in real time the flux of H atoms in these same cells. Importantly, both of these techniques indicate that the H and O fluxes are dependent on metabolic processes; cells that are in lag phase or are quiescent exhibit a much smaller flux. In addition, water extracted from the muscle tissue of rats contained a population of H and O atoms that were isotopically distinct from body water, consistent with the results obtained using the cultured Rat-1 fibroblasts. Together these data demonstrate that metabolic processes produce fluxes of H and O atoms into intracellular water, and that these fluxes can be detected and measured in both cultured mammalian cells and in mammalian tissue. PMID:22848359
Copper atomic-scale transistors.

Science.gov (United States)

Xie, Fangqing; Kavalenka, Maryna N; Röger, Moritz; Albrecht, Daniel; Hölscher, Hendrik; Leuthold, Jürgen; Schimmel, Thomas

2017-01-01

We investigated copper as a working material for metallic atomic-scale transistors and confirmed that copper atomic-scale transistors can be fabricated and operated electrochemically in a copper electrolyte (CuSO 4 + H 2 SO 4 ) in bi-distilled water under ambient conditions with three microelectrodes (source, drain and gate). The electrochemical switching-on potential of the atomic-scale transistor is below 350 mV, and the switching-off potential is between 0 and -170 mV. The switching-on current is above 1 μA, which is compatible with semiconductor transistor devices. Both sign and amplitude of the voltage applied across the source and drain electrodes ( U bias ) influence the switching rate of the transistor and the copper deposition on the electrodes, and correspondingly shift the electrochemical operation potential. The copper atomic-scale transistors can be switched using a function generator without a computer-controlled feedback switching mechanism. The copper atomic-scale transistors, with only one or two atoms at the narrowest constriction, were realized to switch between 0 and 1 G 0 ( G 0 = 2e 2 /h; with e being the electron charge, and h being Planck's constant) or 2 G 0 by the function generator. The switching rate can reach up to 10 Hz. The copper atomic-scale transistor demonstrates volatile/non-volatile dual functionalities. Such an optimal merging of the logic with memory may open a perspective for processor-in-memory and logic-in-memory architectures, using copper as an alternative working material besides silver for fully metallic atomic-scale transistors.
Capillary condensation in atomic scale friction: how water acts like a glue.

Science.gov (United States)

Jinesh, K B; Frenken, J W M

2006-04-28

We present atomic-scale friction force measurements that strongly suggest that the capillary condensation of water between a tungsten tip and a graphite surface leads to the formation of ice at room temperature. This phenomenon increases the friction force, introduces a short-term memory in the form of an elastic response against shearing, and allows us to "write" a temporary line of ice on a hydrophobic surface. Rearrangements of the condensate are shown to take place on a surprisingly slow time scale of seconds.
Tight Coupling of Metabolic Oscillations and Intracellular Water Dynamics in Saccharomyces cerevisiae

DEFF Research Database (Denmark)

Thoke, Henrik Seir; Tobiesen, Asger; Brewer, Jonathan R.

2015-01-01

We detected very strong coupling between the oscillating concentration of ATP and the dynamics of intracellular water during glycolysis in Saccharomyces cerevisiae. Our results indicate that: i) dipolar relaxation of intracellular water is heterogeneous within the cell and different from dilute...... conditions, ii) water dipolar relaxation oscillates with glycolysis and in phase with ATP concentration, iii) this phenomenon is scale-invariant from the subcellular to the ensemble of synchronized cells and, iv) the periodicity of both glycolytic oscillations and dipolar relaxation are equally affected by D...
Intracellular mechanisms of solar water disinfection

Science.gov (United States)

Castro-Alférez, María; Polo-López, María Inmaculada; Fernández-Ibáñez, Pilar

2016-12-01

Solar water disinfection (SODIS) is a zero-cost intervention measure to disinfect drinking water in areas of poor access to improved water sources, used by more than 6 million people in the world. The bactericidal action of solar radiation in water has been widely proven, nevertheless the causes for this remain still unclear. Scientific literature points out that generation of reactive oxygen species (ROS) inside microorganisms promoted by solar light absorption is the main reason. For the first time, this work reports on the experimental measurement of accumulated intracellular ROS in E. coli during solar irradiation. For this experimental achievement, a modified protocol based on the fluorescent probe dichlorodihydrofluorescein diacetate (DCFH-DA), widely used for oxidative stress in eukaryotic cells, has been tested and validated for E. coli. Our results demonstrate that ROS and their accumulated oxidative damages at intracellular level are key in solar water disinfection.
Visions of Atomic Scale Tomography

International Nuclear Information System (INIS)

Kelly, T.F.; Miller, Michael K.; Rajan, Krishna; Ringer, S.P.

2012-01-01

A microscope, by definition, provides structural and analytical information about objects that are too small to see with the unaided eye. From the very first microscope, efforts to improve its capabilities and push them to ever-finer length scales have been pursued. In this context, it would seem that the concept of an ultimate microscope would have received much attention by now; but has it really ever been defined? Human knowledge extends to structures on a scale much finer than atoms, so it might seem that a proton-scale microscope or a quark-scale microscope would be the ultimate. However, we argue that an atomic-scale microscope is the ultimate for the following reason: the smallest building block for either synthetic structures or natural structures is the atom. Indeed, humans and nature both engineer structures with atoms, not quarks. So far as we know, all building blocks (atoms) of a given type are identical; it is the assembly of the building blocks that makes a useful structure. Thus, would a microscope that determines the position and identity of every atom in a structure with high precision and for large volumes be the ultimate microscope? We argue, yes. In this article, we consider how it could be built, and we ponder the answer to the equally important follow-on questions: who would care if it is built, and what could be achieved with it?
Atomic-Scale Simulation of Electrochemical Processes at Electrode/Water Interfaces under Referenced Bias Potential.

Science.gov (United States)

Bouzid, Assil; Pasquarello, Alfredo

2018-04-19

Based on constant Fermi-level molecular dynamics and a proper alignment scheme, we perform simulations of the Pt(111)/water interface under variable bias potential referenced to the standard hydrogen electrode (SHE). Our scheme yields a potential of zero charge μ pzc of ∼0.22 eV relative to the SHE and a double layer capacitance C dl of ≃19 μF cm -2 , in excellent agreement with experimental measurements. In addition, we study the structural reorganization of the electrical double layer for bias potentials ranging from -0.92 eV to +0.44 eV and find that O down configurations, which are dominant at potentials above the pzc, reorient to favor H down configurations as the measured potential becomes negative. Our modeling scheme allows one to not only access atomic-scale processes at metal/water interfaces, but also to quantitatively estimate macroscopic electrochemical quantities.
Atomic-scale friction : thermal effects and capillary condensation

NARCIS (Netherlands)

Jinesh, Kochupurackal Balakrishna Pillai

2006-01-01

This work entitled as "Atomic-scale friction: thermal effects and capillary condensation" is a study on the fundamental aspects of the origin of friction from the atomic-scale. We study two realistic aspects of atomic-scale friction, namely the effect of temperature and the effect of relative
pH in atomic scale simulations of electrochemical interfaces

DEFF Research Database (Denmark)

Rossmeisl, Jan; Chan, Karen; Ahmed, Rizwan

2013-01-01

Electrochemical reaction rates can strongly depend on pH, and there is increasing interest in electrocatalysis in alkaline solution. To date, no method has been devised to address pH in atomic scale simulations. We present a simple method to determine the atomic structure of the metal......|solution interface at a given pH and electrode potential. Using Pt(111)|water as an example, we show the effect of pH on the interfacial structure, and discuss its impact on reaction energies and barriers. This method paves the way for ab initio studies of pH effects on the structure and electrocatalytic activity...
Atomic structure of diamond {111} surfaces etched in oxygen water vapor

International Nuclear Information System (INIS)

Theije, F.K. de; Reedijk, M.F.; Arsic, J.; Enckevort, W.J.P. van; Vlieg, E.

2001-01-01

The atomic structure of the {111} diamond face after oxygen-water-vapor etching is determined using x-ray scattering. We find that a single dangling bond diamond {111} surface model, terminated by a full monolayer of -OH fits our data best. To explain the measurements it is necessary to add an ordered water layer on top of the -OH terminated surface. The vertical contraction of the surface cell and the distance between the oxygen atoms are generally in agreement with model calculations and results on similar systems. The OH termination is likely to be present during etching as well. This model experimentally confirms the atomic-scale mechanism we proposed previously for this etching system
Simulations of atomic-scale sliding friction

DEFF Research Database (Denmark)

Sørensen, Mads Reinholdt; Jacobsen, Karsten Wedel; Stoltze, Per

1996-01-01

Simulation studies of atomic-scale sliding friction have been performed for a number of tip-surface and surface-surface contacts consisting of copper atoms. Both geometrically very simple tip-surface structures and more realistic interface necks formed by simulated annealing have been studied....... Kinetic friction is observed to be caused by atomic-scale Stick and slip which occurs by nucleation and subsequent motion of dislocations preferably between close-packed {111} planes. Stick and slip seems ro occur in different situations. For single crystalline contacts without grain boundaries...... pinning of atoms near the boundary of the interface and is therefore more easily observed for smaller contacts. Depending on crystal orientation and load, frictional wear can also be seen in the simulations. In particular, for the annealed interface-necks which model contacts created by scanning tunneling...
Sub-nanometer-resolution imaging of peptide nanotubes in water using frequency modulation atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Sugihara, Tomoki; Hayashi, Itsuho; Onishi, Hiroshi [Department of Chemistry, Graduate School of Science, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe 657-8501 (Japan); Kimura, Kenjiro, E-mail: kimura@gold.kobe-u.ac.jp [Department of Chemistry, Graduate School of Science, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe 657-8501 (Japan); Tamura, Atsuo [Department of Chemistry, Graduate School of Science, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe 657-8501 (Japan)

2013-06-20

Highlights: ► Peptide nanotubes were aligned on highly oriented pyrolytic graphite surface. ► We visualized sub-nanometer-scale structure on peptide nanotube surface in water. ► We observed hydration structure at a peptide nanotube/water interface. - Abstract: Peptide nanotubes are self-assembled fibrous materials composed of cyclic polypeptides. Recently, various aspects of peptide nanotubes have been studied, in particular the utility of different methods for making peptide nanotubes with diverse designed functions. In order to investigate the relationship between formation, function and stability, it is essential to analyze the precise structure of peptide nanotubes. Atomic-scale surface imaging in liquids was recently achieved using frequency modulation atomic force microscopy with improved force sensing. Here we provide a precise surface structural analysis of peptide nanotubes in water without crystallizing them obtained by imaging the nanotubes at the sub-nanometer scale in water. In addition, the local hydration structure around the peptide nanotubes was observed at the nanotube/water interface.
Atomic-scale Studies of Uranium Oxidation and Corrosion by Water Vapour.

Science.gov (United States)

Martin, T L; Coe, C; Bagot, P A J; Morrall, P; Smith, G D W; Scott, T; Moody, M P

2016-07-12

Understanding the corrosion of uranium is important for its safe, long-term storage. Uranium metal corrodes rapidly in air, but the exact mechanism remains subject to debate. Atom Probe Tomography was used to investigate the surface microstructure of metallic depleted uranium specimens following polishing and exposure to moist air. A complex, corrugated metal-oxide interface was observed, with approximately 60 at.% oxygen content within the oxide. Interestingly, a very thin (~5 nm) interfacial layer of uranium hydride was observed at the oxide-metal interface. Exposure to deuterated water vapour produced an equivalent deuteride signal at the metal-oxide interface, confirming the hydride as originating via the water vapour oxidation mechanism. Hydroxide ions were detected uniformly throughout the oxide, yet showed reduced prominence at the metal interface. These results support a proposed mechanism for the oxidation of uranium in water vapour environments where the transport of hydroxyl species and the formation of hydride are key to understanding the observed behaviour.
Atomic-scale Studies of Uranium Oxidation and Corrosion by Water Vapour

Science.gov (United States)

Martin, T. L.; Coe, C.; Bagot, P. A. J.; Morrall, P.; Smith, G. D. W.; Scott, T.; Moody, M. P.

2016-07-01

Understanding the corrosion of uranium is important for its safe, long-term storage. Uranium metal corrodes rapidly in air, but the exact mechanism remains subject to debate. Atom Probe Tomography was used to investigate the surface microstructure of metallic depleted uranium specimens following polishing and exposure to moist air. A complex, corrugated metal-oxide interface was observed, with approximately 60 at.% oxygen content within the oxide. Interestingly, a very thin (~5 nm) interfacial layer of uranium hydride was observed at the oxide-metal interface. Exposure to deuterated water vapour produced an equivalent deuteride signal at the metal-oxide interface, confirming the hydride as originating via the water vapour oxidation mechanism. Hydroxide ions were detected uniformly throughout the oxide, yet showed reduced prominence at the metal interface. These results support a proposed mechanism for the oxidation of uranium in water vapour environments where the transport of hydroxyl species and the formation of hydride are key to understanding the observed behaviour.
The Chip-Scale Atomic Clock - Recent Development Progress

Science.gov (United States)

2004-09-01

35th Annual Precise Time and Time Interval (PTTI) Meeting 467 THE CHIP-SCALE ATOMIC CLOCK – RECENT DEVELOPMENT PROGRESS R. Lutwak ...1] R. Lutwak , et al., 2003, “The Chip-Scale Atomic Clock – Coherent Population Trapping vs. Conventional Interrogation,” in
Atomic scale chemical tomography of human bone

Science.gov (United States)

Langelier, Brian; Wang, Xiaoyue; Grandfield, Kathryn

2017-01-01

Human bone is a complex hierarchical material. Understanding bone structure and its corresponding composition at the nanometer scale is critical for elucidating mechanisms of biomineralization under healthy and pathological states. However, the three-dimensional structure and chemical nature of bone remains largely unexplored at the nanometer scale due to the challenges associated with characterizing both the structural and chemical integrity of bone simultaneously. Here, we use correlative transmission electron microscopy and atom probe tomography for the first time, to our knowledge, to reveal structures in human bone at the atomic level. This approach provides an overlaying chemical map of the organic and inorganic constituents of bone on its structure. This first use of atom probe tomography on human bone reveals local gradients, trace element detection of Mg, and the co-localization of Na with the inorganic-organic interface of bone mineral and collagen fibrils, suggesting the important role of Na-rich organics in the structural connection between mineral and collagen. Our findings provide the first insights into the hierarchical organization and chemical heterogeneity in human bone in three-dimensions at its smallest length scale - the atomic level. We demonstrate that atom probe tomography shows potential for new insights in biomineralization research on bone.
Multiple atomic scale solid surface interconnects for atom circuits and molecule logic gates

International Nuclear Information System (INIS)

Joachim, C; Martrou, D; Gauthier, S; Rezeq, M; Troadec, C; Jie Deng; Chandrasekhar, N

2010-01-01

The scientific and technical challenges involved in building the planar electrical connection of an atomic scale circuit to N electrodes (N > 2) are discussed. The practical, laboratory scale approach explored today to assemble a multi-access atomic scale precision interconnection machine is presented. Depending on the surface electronic properties of the targeted substrates, two types of machines are considered: on moderate surface band gap materials, scanning tunneling microscopy can be combined with scanning electron microscopy to provide an efficient navigation system, while on wide surface band gap materials, atomic force microscopy can be used in conjunction with optical microscopy. The size of the planar part of the circuit should be minimized on moderate band gap surfaces to avoid current leakage, while this requirement does not apply to wide band gap surfaces. These constraints impose different methods of connection, which are thoroughly discussed, in particular regarding the recent progress in single atom and molecule manipulations on a surface.
Atomic origins of water-vapour-promoted alloy oxidation.

Science.gov (United States)

Luo, Langli; Su, Mao; Yan, Pengfei; Zou, Lianfeng; Schreiber, Daniel K; Baer, Donald R; Zhu, Zihua; Zhou, Guangwen; Wang, Yanting; Bruemmer, Stephen M; Xu, Zhijie; Wang, Chongmin

2018-05-07

The presence of water vapour, intentional or unavoidable, is crucial to many materials applications, such as in steam generators, turbine engines, fuel cells, catalysts and corrosion 1-4 . Phenomenologically, water vapour has been noted to accelerate oxidation of metals and alloys 5,6 . However, the atomistic mechanisms behind such oxidation remain elusive. Through direct in situ atomic-scale transmission electron microscopy observations and density functional theory calculations, we reveal that water-vapour-enhanced oxidation of a nickel-chromium alloy is associated with proton-dissolution-promoted formation, migration, and clustering of both cation and anion vacancies. Protons derived from water dissociation can occupy interstitial positions in the oxide lattice, consequently lowering vacancy formation energy and decreasing the diffusion barrier of both cations and anions, which leads to enhanced oxidation in moist environments at elevated temperatures. This work provides insights into water-vapour-enhanced alloy oxidation and has significant implications in other material and chemical processes involving water vapour, such as corrosion, heterogeneous catalysis and ionic conduction.
Determination of boron in natural waters using atomic-absorption spectrometry with electrothermal atomization

International Nuclear Information System (INIS)

Usenko, S.I.; Prorok, M.M.

1992-01-01

A method of direct determination of boron in natural waters using atomic-absorption spectrometry with electrothermal atomization was developed. Concomitant elements Si, K, Mg, Na, present in natural waters in the concentration of 0.05-100 mg/cv 3 , do not produce effect on the value of boron atomic absorption. Boron determination limit constituted 0.02 mg/cm 3 for 25 ml of solution introduced
Collective Dynamics of Intracellular Water in Living Cells

International Nuclear Information System (INIS)

Orecchini, A; Sebastiani, F; Paciaroni, A; Petrillo, C; Sacchetti, F; Jasnin, M; Francesco, A De; Zaccai, G; Moulin, M; Haertlein, M

2012-01-01

Water dynamics plays a fundamental role for the fulfillment of biological functions in living organisms. Decades of hydrated protein powder studies have revealed the peculiar dynamical properties of hydration water with respect to pure water, due to close coupling interactions with the macromolecule. In such a framework, we have studied coherent collective dynamics in protein and DNA hydration water. State-of-the-art neutron instrumentation has allowed us to observe the propagation of coherent density fluctuations within the hydration shell of the biomolecules. The corresponding dispersion curves resulted to be only slightly affected by the coupling with the macromolecules. Nevertheless, the effects of the interaction appeared as a marked increase of the mode damping factors, which suggested a destructuring of the water hydrogen-bond network. Such results were interpreted as the signature of a 'glassy' dynamical character of macromolecule hydration water, in agreement with indications from measurements of the density of vibrational states. Extending the investigations to living organisms at physiological conditions, we present here an in-vivo study of collective dynamics of intracellular water in Escherichia coli cells. The cells and water were fully deuterated to minimise the incoherent neutron scattering background. The water dynamics observed in the living cells is discussed in terms of the dynamics of pure bulk water and that of hydration water measured in powder samples.

Atomic-scale epitaxial aluminum film on GaAs substrate

Directory of Open Access Journals (Sweden)

Yen-Ting Fan

2017-07-01

Full Text Available Atomic-scale metal films exhibit intriguing size-dependent film stability, electrical conductivity, superconductivity, and chemical reactivity. With advancing methods for preparing ultra-thin and atomically smooth metal films, clear evidences of the quantum size effect have been experimentally collected in the past two decades. However, with the problems of small-area fabrication, film oxidation in air, and highly-sensitive interfaces between the metal, substrate, and capping layer, the uses of the quantized metallic films for further ex-situ investigations and applications have been seriously limited. To this end, we develop a large-area fabrication method for continuous atomic-scale aluminum film. The self-limited oxidation of aluminum protects and quantizes the metallic film and enables ex-situ characterizations and device processing in air. Structure analysis and electrical measurements on the prepared films imply the quantum size effect in the atomic-scale aluminum film. Our work opens the way for further physics studies and device applications using the quantized electronic states in metals.
Modelling atomic scale manipulation with the non-contact atomic force microscope

International Nuclear Information System (INIS)

Trevethan, T; Watkins, M; Kantorovich, L N; Shluger, A L; Polesel-Maris, J; Gauthier, S

2006-01-01

We present the results of calculations performed to model the process of lateral manipulation of an oxygen vacancy in the MgO(001) surface using the non-contact atomic force microscope (NC-AFM). The potential energy surfaces for the manipulation as a function of tip position are determined from atomistic modelling of the MgO(001) surface interacting with a Mg terminated MgO tip. These energies are then used to model the dynamical evolution of the system as the tip oscillates and at a finite temperature using a kinetic Monte Carlo method. The manipulation process is strongly dependent on the lateral position of the tip and the system temperature. It is also found that the expectation value of the point at which the vacancy jumps depends on the trajectory of the oscillating cantilever as the surface is approached. The effect of the manipulation on the operation of the NC-AFM is modelled with a virtual dynamic AFM, which explicitly simulates the entire experimental instrumentation and control loops. We show how measurable experimental signals can result from a single controlled atomic scale event and suggest the most favourable conditions for achieving successful atomic scale manipulation experimentally
Physically representative atomistic modeling of atomic-scale friction

Science.gov (United States)

Dong, Yalin

Nanotribology is a research field to study friction, adhesion, wear and lubrication occurred between two sliding interfaces at nano scale. This study is motivated by the demanding need of miniaturization mechanical components in Micro Electro Mechanical Systems (MEMS), improvement of durability in magnetic storage system, and other industrial applications. Overcoming tribological failure and finding ways to control friction at small scale have become keys to commercialize MEMS with sliding components as well as to stimulate the technological innovation associated with the development of MEMS. In addition to the industrial applications, such research is also scientifically fascinating because it opens a door to understand macroscopic friction from the most bottom atomic level, and therefore serves as a bridge between science and engineering. This thesis focuses on solid/solid atomic friction and its associated energy dissipation through theoretical analysis, atomistic simulation, transition state theory, and close collaboration with experimentalists. Reduced-order models have many advantages for its simplification and capacity to simulating long-time event. We will apply Prandtl-Tomlinson models and their extensions to interpret dry atomic-scale friction. We begin with the fundamental equations and build on them step-by-step from the simple quasistatic one-spring, one-mass model for predicting transitions between friction regimes to the two-dimensional and multi-atom models for describing the effect of contact area. Theoretical analysis, numerical implementation, and predicted physical phenomena are all discussed. In the process, we demonstrate the significant potential for this approach to yield new fundamental understanding of atomic-scale friction. Atomistic modeling can never be overemphasized in the investigation of atomic friction, in which each single atom could play a significant role, but is hard to be captured experimentally. In atomic friction, the
Atomic-scale observation of hydrogen-induced crack growth by atom-probe FIM

International Nuclear Information System (INIS)

Kuk, Y.; Pickering, H.W.; Sakurai, T.

1980-01-01

Formation and propagation of a microcrack due to hydrogen in a Fe-0.29 wt.% Ti alloy was observed at the atomic scale by field ion microscopy. A microcrack (-20 nm in length) formed and became noticeably large when the tip was heated at 950 0 C in the presence of about 1 torr of Hg. Propagation was reported several times by reheating, until a portion of the tip ruptured and became detached from the tip. Compositional analysis, performed in situ using a high performance atom-probe, identified atomic hydrogen in quantity and some hydrogen molecules and FEH in the crack, but not elsewhere on the surface
The Chip-Scale Atomic Clock - Low-Power Physics Package

Science.gov (United States)

2004-12-01

36th Annual Precise Time and Time Interval (PTTI) Meeting 339 THE CHIP-SCALE ATOMIC CLOCK – LOW-POWER PHYSICS PACKAGE R. Lutwak ...pdf/documents/ds-x72.pdf [2] R. Lutwak , D. Emmons, W. Riley, and R. M. Garvey, 2003, “The Chip-Scale Atomic Clock – Coherent Population Trapping vs...2002, Reston, Virginia, USA (U.S. Naval Observatory, Washington, D.C.), pp. 539-550. [3] R. Lutwak , D. Emmons, T. English, and W. Riley, 2004
Recent advances in atomic-scale spin-polarized scanning tunneling microscopy.

Science.gov (United States)

Smith, Arthur R; Yang, Rong; Yang, Haiqiang; Dick, Alexey; Neugebauer, Joerg; Lambrecht, Walter R L

2005-02-01

The Mn3N2 (010) surface has been studied using spin-polarized scanning tunneling microscopy at the atomic scale. The principle objective of this work is to elucidate the properties and potential of this technique to measure atomic-scale magnetic structures. The experimental approach involves the use of a combined molecular beam epitaxy/scanning tunneling microscopy system that allows the study of atomically clean magnetic surfaces. Several key findings have been obtained. First, both magnetic and non-magnetic atomic-scale information has been obtained in a single spin-polarized image. Magnetic modulation of the height profile having an antiferromagnetic super-period of c = 12.14 A (6 atomic rows) together with a non-magnetic superstructure having a period of c/2 = 6.07 A (3 atomic rows) was observed. Methods of separation of magnetic and non-magnetic profiles are presented. Second, bias voltage-dependent spin-polarized images show a reversal of the magnetic modulation at a particular voltage. This reversal is clearly due to a change in the sign of the magnetic term in the tunnel current. Since this term depends on both the tip's as well as the sample's magnetic local density of states, the reversal can be caused by either the sample or the tip. Third, the shape of the line profile was found to vary with the bias voltage, which is related to the energy-dependent spin contribution from the 2 chemically inequivalent Mn sites on the surface. Overall, the results shown here expand the application of the method of spin-polarized scanning tunneling microscopy to measure atomic-scale magnetic structures. (c) 2005 Wiley-Liss, Inc.
Development of indigenous laboratory scale gas atomizer for producing metal powders

International Nuclear Information System (INIS)

Khan, K.K.; Qasim, A.M.; Ahmed, P.

2011-01-01

Gas atomization is one of the methods for production of clean metal powders at relatively moderate cost. A laboratory scale gas atomizer was designed and fabricated indigenously to produce metal powders with a batch capacity of 500 g of copper (Cu). The design includes several features regarding fabrication and operation to provide optimum conditions for atomization. The inner diameter of atomizing chamber is 440 mm and its height is 1200 mm. The atomizing nozzle is of annular confined convergent type with an angle of 25 degree. Argon gas at desired pressure has been used for atomizing the metals to produce relatively clean powders. A provision has also been made to view the atomization process. The indigenous laboratory scale gas atomizer was used to produce tin (Sn) and copper (Cu) powders with different atomizing gas pressures ranging from 2 to 10 bar. The particle size of different powders produced ranges from 40 to 400 im. (author)
Platinum clusters with precise numbers of atoms for preparative-scale catalysis.

Science.gov (United States)

Imaoka, Takane; Akanuma, Yuki; Haruta, Naoki; Tsuchiya, Shogo; Ishihara, Kentaro; Okayasu, Takeshi; Chun, Wang-Jae; Takahashi, Masaki; Yamamoto, Kimihisa

2017-09-25

Subnanometer noble metal clusters have enormous potential, mainly for catalytic applications. Because a difference of only one atom may cause significant changes in their reactivity, a preparation method with atomic-level precision is essential. Although such a precision with enough scalability has been achieved by gas-phase synthesis, large-scale preparation is still at the frontier, hampering practical applications. We now show the atom-precise and fully scalable synthesis of platinum clusters on a milligram scale from tiara-like platinum complexes with various ring numbers (n = 5-13). Low-temperature calcination of the complexes on a carbon support under hydrogen stream affords monodispersed platinum clusters, whose atomicity is equivalent to that of the precursor complex. One of the clusters (Pt 10 ) exhibits high catalytic activity in the hydrogenation of styrene compared to that of the other clusters. This method opens an avenue for the application of these clusters to preparative-scale catalysis.The catalytic activity of a noble metal nanocluster is tied to its atomicity. Here, the authors report an atom-precise, fully scalable synthesis of platinum clusters from molecular ring precursors, and show that a variation of only one atom can dramatically change a cluster's reactivity.
Photonic and Quantum Interactions of Atomic-Scale Junctions

Data.gov (United States)

National Aeronautics and Space Administration — In this proposal, the fundamental quantum and photonic interactions of bimetallic atomic-scale junctions (ASJs) will be explored, with three major space...
The Chip-Scale Atomic Clock - Prototype Evaluation

Science.gov (United States)

2007-11-01

39th Annual Precise Time and Time Interval (PTTI) Meeting THE CHIP-SCALE ATOMIC CLOCK – PROTOTYPE EVALUATION R. Lutwak *, A. Rashed...been supported by the Defense Advanced Research Projects Agency, Contract # NBCHC020050. REFERENCES [1] R. Lutwak , D. Emmons, W. Riley, and...D.C.), pp. 539-550. [2] R. Lutwak , D. Emmons, T. English, W. Riley, A. Duwel, M. Varghese, D. K. Serkland, and G. M. Peake, 2004, “The Chip-Scale
The influence of atomizer internal design and liquid physical properties on effervescent atomizing of coal-water slurry

Energy Technology Data Exchange (ETDEWEB)

Liu, Meng; Duan, Yufeng [Southeast Univ., Nanjing (China). Inst. of Thermal Engineering

2013-07-01

This study investigated the dependence of effervescent atomizing of coal-water slurry (CWS) on atomizer internal design and fluid properties. Results demonstrate that internal design of atomizer and fluid properties directly affect the two-phase flow pattern inside the atomizer which consequently affects the spray quality. The influence of mixing chamber length on spray quality is not significant at the ALR of 0.15 except for spray 0.75 glycerol/0.248 water/0.002 xanthan mixture. The same trend also found in the effect of angle of aeration holes at ALR of 0.15. Large diameter of the inclined aeration holes shows small SMD for water. The consistency index of fluids has no effect on the spray quality and Sauter Mean Diameter (SMD) increases when polymer additions were added to the glycerin-water mixture. The radial profile of SMD for spray water are almost flat, however, the largest SMD can be obtained at the edge of spray for three other fluids.
Atomic and close-to-atomic scale manufacturing—A trend in manufacturing development

Science.gov (United States)

Fang, Fengzhou

2016-12-01

Manufacturing is the foundation of a nation's economy. It is the primary industry to promote economic and social development. To accelerate and upgrade China's manufacturing sector from "precision manufacturing" to "high-performance and high-quality manufacturing", a new breakthrough should be found in terms of achieving a "leap-frog development". Unlike conventional manufacturing, the fundamental theory of "Manufacturing 3.0" is beyond the scope of conventional theory; rather, it is based on new principles and theories at the atomic and/or closeto- atomic scale. Obtaining a dominant role at the international level is a strategic move for China's progress.
Water analysis. Determination of elements by atomic absorption

International Nuclear Information System (INIS)

Anon.

Analysis of homogeneous water solutions (plain water, polluted waters, effluents...) by atomic absorption spectrometry with correction for non specific absorption. The quantity ratio is determined by comparison with standard solutions, correction tables are given [fr
Intracellular water exchange for measuring the dry mass, water mass and changes in chemical composition of living cells.

Directory of Open Access Journals (Sweden)

Francisco Feijó Delgado

Full Text Available We present a method for direct non-optical quantification of dry mass, dry density and water mass of single living cells in suspension. Dry mass and dry density are obtained simultaneously by measuring a cell's buoyant mass sequentially in an H2O-based fluid and a D2O-based fluid. Rapid exchange of intracellular H2O for D2O renders the cell's water content neutrally buoyant in both measurements, and thus the paired measurements yield the mass and density of the cell's dry material alone. Utilizing this same property of rapid water exchange, we also demonstrate the quantification of intracellular water mass. In a population of E. coli, we paired these measurements to estimate the percent dry weight by mass and volume. We then focused on cellular dry density - the average density of all cellular biomolecules, weighted by their relative abundances. Given that densities vary across biomolecule types (RNA, DNA, protein, we investigated whether we could detect changes in biomolecular composition in bacteria, fungi, and mammalian cells. In E. coli, and S. cerevisiae, dry density increases from stationary to exponential phase, consistent with previously known increases in the RNA/protein ratio from up-regulated ribosome production. For mammalian cells, changes in growth conditions cause substantial shifts in dry density, suggesting concurrent changes in the protein, nucleic acid and lipid content of the cell.
Physical essence of the multibody contact-sliding at atomic scale

Science.gov (United States)

Han, Xuesong

2014-01-01

Investigation the multibody contact-sliding occurred at atomic discrete contact spot will play an important role in determine the origin of tribology behavior and evaluates the micro-mechanical property of nanomaterials and thus optimizing the design of surface texture. This paper carries out large scale parallel molecular dynamics simulation on contact-sliding at atomic scale to uncover the special physical essence. The research shows that some kind of force field exists between nanodot pair and the interaction can be expressed by the linear combination of exponential function while the effective interaction distance limited in 1 angstrom for nanodot with several tens of nanometer diameter. The variation tendency about the interaction force between nanodot array is almost the same between nanodot pairs and thus the interaction between two nanodot array can be characterized by parallel mechanical spring. Multibody effect which dominates the interaction between atoms or molecules will gradually diminish with the increasing of length scales.
Atom-resolved AFM imaging of calcite nanoparticles in water

Energy Technology Data Exchange (ETDEWEB)

Imada, Hirotake; Kimura, Kenjiro [Department of Chemistry, School of Science, Kobe University, Rokko-dai, Nada, Kobe 657-8501 (Japan); Onishi, Hiroshi, E-mail: oni@kobe-u.ac.jp [Department of Chemistry, School of Science, Kobe University, Rokko-dai, Nada, Kobe 657-8501 (Japan)

2013-06-20

Highlights: ► An advanced frequency-modulation AFM (FM-AFM) was applied for imaging particles. ► Atom-resolved topography of nano-sized particles of calcite was observed in water. ► Locally ordered structures were found and assigned to a (104) facet of calcite. ► A promising ability of FM-AFM was demonstrated in imaging nano-sized particles. - Abstract: The atom-resolved topography of calcite nanoparticles was observed in water using a frequency-modulation atomic force microscope. Locally ordered structures were found and assigned to a (104) facet of crystalline calcite.
Atom-resolved AFM imaging of calcite nanoparticles in water

International Nuclear Information System (INIS)

Imada, Hirotake; Kimura, Kenjiro; Onishi, Hiroshi

2013-01-01

Highlights: ► An advanced frequency-modulation AFM (FM-AFM) was applied for imaging particles. ► Atom-resolved topography of nano-sized particles of calcite was observed in water. ► Locally ordered structures were found and assigned to a (104) facet of calcite. ► A promising ability of FM-AFM was demonstrated in imaging nano-sized particles. - Abstract: The atom-resolved topography of calcite nanoparticles was observed in water using a frequency-modulation atomic force microscope. Locally ordered structures were found and assigned to a (104) facet of crystalline calcite
The fission time scale measured with an atomic clock

NARCIS (Netherlands)

Kravchuk, VL; Wilschut, HW; Hunyadi, M; Kopecky, S; Lohner, H; Rogachevskiy, A; Siemssen, RH; Krasznahorkay, A; Hamilton, JH; Ramayya, AV; Carter, HK

2003-01-01

We present a new direct method of measuring the fission absolute time scale using an atomic clock based on the lifetime of a vacancy in the atomic K-shell. We studied the reaction Ne-20 + Th-232 -> O-16 + U-236* at 30 MeV/u. The excitation energy of about 115 MeV in such a reaction is in the range
Significant improvements in stability and reproducibility of atomic-scale atomic force microscopy in liquid

International Nuclear Information System (INIS)

Akrami, S M R; Nakayachi, H; Fukuma, T; Watanabe-Nakayama, T; Asakawa, H

2014-01-01

Recent advancement of dynamic-mode atomic force microscopy (AFM) for liquid-environment applications enabled atomic-scale studies on various interfacial phenomena. However, instabilities and poor reproducibility of the measurements often prevent systematic studies. To solve this problem, we have investigated the effect of various tip treatment methods for atomic-scale imaging and force measurements in liquid. The tested methods include Si coating, Ar plasma, Ar sputtering and UV/O 3 cleaning. We found that all the methods provide significant improvements in both the imaging and force measurements in spite of the tip transfer through the air. Among the methods, we found that the Si coating provides the best stability and reproducibility in the measurements. To understand the origin of the fouling resistance of the cleaned tip surface and the difference between the cleaning methods, we have investigated the tip surface properties by x-ray photoelectron spectroscopy and contact angle measurements. The results show that the contaminations adsorbed on the tip during the tip transfer through the air should desorb from the surface when it is immersed in aqueous solution due to the enhanced hydrophilicity by the tip treatments. The tip surface prepared by the Si coating is oxidized when it is immersed in aqueous solution. This creates local spots where stable hydration structures are formed. For the other methods, there is no active mechanism to create such local hydration sites. Thus, the hydration structure formed under the tip apex is not necessarily stable. These results reveal the desirable tip properties for atomic-scale AFM measurements in liquid, which should serve as a guideline for further improvements of the tip treatment methods. (paper)
Atomic scale modelling of materials of the nuclear fuel cycle

International Nuclear Information System (INIS)

Bertolus, M.

2011-10-01

This document written to obtain the French accreditation to supervise research presents the research I conducted at CEA Cadarache since 1999 on the atomic scale modelling of non-metallic materials involved in the nuclear fuel cycle: host materials for radionuclides from nuclear waste (apatites), fuel (in particular uranium dioxide) and ceramic cladding materials (silicon carbide). These are complex materials at the frontier of modelling capabilities since they contain heavy elements (rare earths or actinides), exhibit complex structures or chemical compositions and/or are subjected to irradiation effects: creation of point defects and fission products, amorphization. The objective of my studies is to bring further insight into the physics and chemistry of the elementary processes involved using atomic scale modelling and its coupling with higher scale models and experimental studies. This work is organised in two parts: on the one hand the development, adaptation and implementation of atomic scale modelling methods and validation of the approximations used; on the other hand the application of these methods to the investigation of nuclear materials under irradiation. This document contains a synthesis of the studies performed, orientations for future research, a detailed resume and a list of publications and communications. (author)

Probing Efimov discrete scaling in an atom-molecule collision

Science.gov (United States)

Shalchi, M. A.; Yamashita, M. T.; Hadizadeh, M. R.; Garrido, E.; Tomio, Lauro; Frederico, T.

2018-01-01

The discrete Efimov scaling behavior, well known in the low-energy spectrum of three-body bound systems for large scattering lengths (unitary limit), is identified in the energy dependence of an atom-molecule elastic cross section in mass-imbalanced systems. That happens in the collision of a heavy atom with mass mH with a weakly bound dimer formed by the heavy atom and a lighter one with mass mL≪mH . Approaching the heavy-light unitary limit, the s -wave elastic cross section σ will present a sequence of zeros or minima at collision energies following closely the Efimov geometrical law. Our results, obtained with Faddeev calculations and supplemented by a Born-Oppenheimer analysis, open a perspective to detecting the discrete scaling behavior from low-energy scattering data, which is timely in view of the ongoing experiments with ultracold binary mixtures having strong mass asymmetries, such as lithium and cesium or lithium and ytterbium.
Atomic force microscopy and confocal laser scanning microscopy on the cytoskeleton of permeabilised and embedded cells

International Nuclear Information System (INIS)

Meller, Karl; Theiss, Carsten

2006-01-01

We describe a technical method of cell permeabilisation and embedding to study the organisation and distribution of intracellular proteins with aid of atomic force microscopy and confocal laser scanning microscopy in identical areas. While confocal laser scanning microscopy is useful for the identification of certain proteins subsequent labelling with markers or antibodies, atomic force microscopy allows the observation of macromolecular structures in fixed and living cells. To demonstrate the field of application of this preparatory technique, cells were permeabilised, fixed, and the actin cytoskeleton was stained with phalloidin-rhodamine. Confocal laser scanning microscopy was used to show the organisation of these microfilaments, e.g. geodesic dome structures. Thereafter, cells were embedded in Durcupan water-soluble resin, followed by UV-polymerisation of resin at 4 o C. This procedure allowed intracellular visualisation of the cell nucleus or cytoskeletal elements by atomic force microscopy, for instance to analyse the globular organisation of actin filaments. Therefore, this method offers a great potential to combine both microscopy techniques in order to understand and interpret intracellular protein relations, for example, the biochemical and morphological interaction of the cytoskeleton
Intracellular Water Exchange for Measuring the Dry Mass, Water Mass and Changes in Chemical Composition of Living Cells

Science.gov (United States)

Hecht, Vivian C.; Son, Sungmin; Li, Yingzhong; Knudsen, Scott M.; Olcum, Selim; Higgins, John M.; Chen, Jianzhu; Grover, William H.; Manalis, Scott R.

2013-01-01

We present a method for direct non-optical quantification of dry mass, dry density and water mass of single living cells in suspension. Dry mass and dry density are obtained simultaneously by measuring a cell’s buoyant mass sequentially in an H2O-based fluid and a D2O-based fluid. Rapid exchange of intracellular H2O for D2O renders the cell’s water content neutrally buoyant in both measurements, and thus the paired measurements yield the mass and density of the cell’s dry material alone. Utilizing this same property of rapid water exchange, we also demonstrate the quantification of intracellular water mass. In a population of E. coli, we paired these measurements to estimate the percent dry weight by mass and volume. We then focused on cellular dry density – the average density of all cellular biomolecules, weighted by their relative abundances. Given that densities vary across biomolecule types (RNA, DNA, protein), we investigated whether we could detect changes in biomolecular composition in bacteria, fungi, and mammalian cells. In E. coli, and S. cerevisiae, dry density increases from stationary to exponential phase, consistent with previously known increases in the RNA/protein ratio from up-regulated ribosome production. For mammalian cells, changes in growth conditions cause substantial shifts in dry density, suggesting concurrent changes in the protein, nucleic acid and lipid content of the cell. PMID:23844039
Microsecond atomic-scale molecular dynamics simulations of polyimides

NARCIS (Netherlands)

Lyulin, S.V.; Gurtovenko, A.A.; Larin, S.V.; Nazarychev, V.M.; Lyulin, A.V.

2013-01-01

We employ microsecond atomic-scale molecular dynamics simulations to get insight into the structural and thermal properties of heat-resistant bulk polyimides. As electrostatic interactions are essential for the polyimides considered, we propose a two-step equilibration protocol that includes long
Intracellular water distribution and aging as examined by X-ray microanalysis

International Nuclear Information System (INIS)

von Zglinicki, T.

1988-01-01

The results reviewed here demonstrate that 1. the distribution of dry mass as observed in frozen-dried cryosections might be used as an unbiased measure of intracellular dry mass resp. water distributions in the tissue in vivo and 2. the well-known loss of water from cells during aging is solely due to a water loss from mitochondria without changes in the water content of all other components of the cell in the case of rat liver and heart muscle. The reason for the water loss might be increased counter ion binding by membrane-bound enzymes due to decreased fluidity of the inner mitochondrial membrane with aging rather than changes of the permeability of the membrane or chemical modifications of mitochondrial proteins or DNA. It is assumed that the observed changes lead to decreased intramitochondrial diffusion of substrates and to conformational changes of enzymes. This would decrease both the velocity and the binding constants of certain energy-supplying reactions and could therefore play an important role in the aging process
Correlation between micrometer-scale ripple alignment and atomic-scale crystallographic orientation of monolayer graphene.

Science.gov (United States)

Choi, Jin Sik; Chang, Young Jun; Woo, Sungjong; Son, Young-Woo; Park, Yeonggu; Lee, Mi Jung; Byun, Ik-Su; Kim, Jin-Soo; Choi, Choon-Gi; Bostwick, Aaron; Rotenberg, Eli; Park, Bae Ho

2014-12-01

Deformation normal to the surface is intrinsic in two-dimensional materials due to phononic thermal fluctuations at finite temperatures. Graphene's negative thermal expansion coefficient is generally explained by such an intrinsic property. Recently, friction measurements on graphene exfoliated on a silicon oxide surface revealed an anomalous anisotropy whose origin was believed to be the formation of ripple domains. Here, we uncover the atomistic origin of the observed friction domains using a cantilever torsion microscopy in conjunction with angle-resolved photoemission spectroscopy. We experimentally demonstrate that ripples on graphene are formed along the zigzag direction of the hexagonal lattice. The formation of zigzag directional ripple is consistent with our theoretical model that takes account of the atomic-scale bending stiffness of carbon-carbon bonds and the interaction of graphene with the substrate. The correlation between micrometer-scale ripple alignment and atomic-scale arrangement of exfoliated monolayer graphene is first discovered and suggests a practical tool for measuring lattice orientation of graphene.
Atomic scale mass delivery driven by bend kink in single walled carbon nanotube

International Nuclear Information System (INIS)

Kan Biao; Ding Jianning; Ling Zhiyong; Yuan Ningyi; Cheng Guanggui

2010-01-01

The possibility of atomic scale mass delivery by bend kink in single walled carbon nanotube was investigated with the aid of molecular dynamics simulation. By keeping the bending angle while moving the tube end, the encapsulated atomic scale mass such as atom, molecule and atom group were successfully delivered through the nanotube. The van der Waals interaction between the encapsulated mass and the tube wall provided the driving force for the delivery. There were no dramatic changes in the van der Waals interaction, and a smooth and steady delivery was achieved when constant loading rate was applied. The influence of temperature on the atom group delivery was also analyzed. It is found raising temperature is harmful to the smooth movement of the atom group. However, the delivery rate can be promoted under higher temperature when the atom group is situated before the kink during the delivery.
Atomic-scale simulations of the mechanical deformation of nanocrystalline metals

DEFF Research Database (Denmark)

Schiøtz, Jakob; Vegge, Tejs; Di Tolla, Francesco

1999-01-01

that the main deformation mode is sliding in the grain boundaries through a large number of uncorrelated events, where a few atoms (or a few tens of atoms) slide with respect to each other. Little dislocation activity is seen in the grain interiors. The localization of the deformation to the grain boundaries......Nanocrystalline metals, i.e., metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield strength. We present atomic-scale simulations of the plastic behavior of nanocrystalline copper. The simulations show...
Dynamic strain-induced transformation: An atomic scale investigation

International Nuclear Information System (INIS)

Zhang, H.; Pradeep, K.G.; Mandal, S.; Ponge, D.; Springer, H.; Raabe, D.

2015-01-01

Phase transformations provide the most versatile access to the design of complex nanostructured alloys in terms of grain size, morphology, local chemical constitution etc. Here we study a special case of deformation induced phase transformation. More specifically, we investigate the atomistic mechanisms associated with dynamic strain-induced transformation (DSIT) in a dual-phased multicomponent iron-based alloy at high temperatures. DSIT phenomena and the associated secondary phase nucleation were observed at atomic scale using atom probe tomography. The obtained local chemical composition was used for simulating the nucleation process which revealed that DSIT, occurring during load exertion, proceeds by a diffusion-controlled nucleation process
New perspective in the assessment of total intracellular magnesium

Directory of Open Access Journals (Sweden)

Azzurra Sargenti

2014-01-01

Full Text Available Magnesium (Mg is essential for biological processes, but its cellular homeostasis has not been thoroughly elucidated, mainly because of the inadequacy of the available techniques to map intracellular Mg distribution. Recently, particular interest has been raised by a new family of fluorescent probes, diaza-18-crown-hydroxyquinoline (DCHQ, that shows remarkably high affinity and specificity for Mg, thus permitting the detection of the total intracellular Mg. The data obtained by fluori- metric and cytofluorimetric assays performed with DCHQ5 are in good agreement with atomic absorption spectroscopy, confirming that DCHQ5 probe allows both qualitative and quantitative determination of total intracellular Mg.
RF-Interrogated End-State Chip-Scale Atomic Clock

Science.gov (United States)

2007-11-01

coherent population trapping,” Electronics Letters 37, (24), 1449-1451. [2] R. Lutwak , P. Vlitas, M. Varghese, M. Mescher, D. K. Serkland, and G. M...367. [9] R. Lutwak , D. Emmons, T. English, W. Riley, A. Duwel, M. Varghese, D. K. Serland, and G. M. Peake, 2003, “Chip-Scale Atomic Clock, Recent
Simulating atomic-scale phenomena on surfaces of unconventional superconductors

Energy Technology Data Exchange (ETDEWEB)

Kreisel, Andreas; Andersen, Brian [Niels Bohr Institute (Denmark); Choubey, Peayush; Hirschfeld, Peter [Univ. of Florida (United States); Berlijn, Tom [CNMS and CSMD, Oak Ridge National Laboratory (United States)

2016-07-01

Interest in atomic scale effects in superconductors has increased because of two general developments: First, the discovery of new materials as the cuprate superconductors, heavy fermion and Fe-based superconductors where the coherence length of the cooper pairs is as small to be comparable to the lattice constant, rendering small scale effects important. Second, the experimental ability to image sub-atomic features using scanning-tunneling microscopy which allows to unravel numerous physical properties of the homogeneous system such as the quasi particle excitation spectra or various types of competing order as well as properties of local disorder. On the theoretical side, the available methods are based on lattice models restricting the spatial resolution of such calculations. In the present project we combine lattice calculations using the Bogoliubov-de Gennes equations describing the superconductor with wave function information containing sub-atomic resolution obtained from ab initio approaches. This allows us to calculate phenomena on surfaces of superconductors as directly measured in scanning tunneling experiments and therefore opens the possibility to identify underlying properties of these materials and explain observed features of disorder. It will be shown how this method applies to the cuprate material Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} and a Fe based superconductor.
Purification of ammonia-containing trap waters from atomic power plant by ozone treatment

International Nuclear Information System (INIS)

Grachok, M.A.; Prokudina, S.A.; Shulyat'ev, M.I.

1990-01-01

The aim of research was to study the process of ozonation of ammonia-containing trap waters from the Kursk Atomic Power Plant both on the model solutions and on real ones. Different factors (pH of the medium, temperature, concentration of the initial substances) have been studied for their effect on ozonation of aqueous ammonia solutions, model solutions of trap waters from the Kursk Atomic Power Plant as well as ammonia-containing trap waters and liquid radioactive wastes delivered to special water treatment at the Kursk Atomic Power Plant. It is shown that in all the cases the highest rate of ammonia oxidation by ozone is observed in the alkaline medium (pH 1.4-11.0) and at 55 deg C. The obtained results have shown that a method of ozonation followed by evaporation of water to be purified can be used to treat ammonia-containing waters from atomic power plant
Atomic-scale dislocation dynamics in radiation damage environment

International Nuclear Information System (INIS)

Osetsky, Y.; Stoller, R.; Bacon, D.J.

2007-01-01

Full text of publication follows: The dynamics behavior of dislocations determines mechanical properties of crystalline materials. Long-range interactions between a moving dislocation and other defects can be treated within a continuum approach via interaction of their stress and strain fields. However, a vast contribution to mechanical properties depends on the direct interaction between dislocations and other defects and depends very much on the particular atomic scale structure of the both moving dislocation core and the obstacle. In this work we review recent progress in large-scale modeling of dislocation dynamics in metals at the atomic level by molecular dynamics and statics. We review the modem techniques used to simulate dynamics of dislocations in different lattice structures, the dependence on temperature, strain rate and obstacle size. Examples are given for bcc, fcc and hcp metals where edge and screw dislocations interact with vacancy (loops, voids, stacking fault tetrahedra, etc), self-interstitial clusters and secondary phase precipitates. Attention is paid to interpretation of atomistic results from the point of view of parameterization of continuum models. The latter is vitally necessary for further application in 3-dimensional dislocation dynamics within the multi-scale materials modeling approach. Research sponsored by the Division of Materials Sciences and Engineering and the Office of Fusion Energy Sciences, U.S. Department of Energy, under contract DE-AC0S-00OR22725 with UT-Battelle, LLC. (authors)
Influence of Air Humidity and Water Particles on Dust Control Using Ultrasonic Atomization

Science.gov (United States)

Okawa, Hirokazu; Nishi, Kentaro; Shindo, Dai; Kawamura, Youhei

2012-07-01

The influence of air humidity and water particles on dust control was examined using ultrasonic atomization at 2.4 MHz, an acrylic box (61 L), and four types of ore dust samples: green tuff (4 µm), green tuff (6 µm), kaolin, and silica. It was clearly demonstrated that ultrasonic atomization was effective in raising humidity rapidly. However, at high relative air humidity, the water particles remained stable in the box without changing to water vapor. Ultrasonic atomization was applied to suppress dust dispersion and 40-95% dust reduction was achieved at 83% relative air humidity. Dust dispersion was more effective with ultrasonic atomization than without.
Nanosheet Supported Single-Metal Atom Bifunctional Catalyst for Overall Water Splitting.

Science.gov (United States)

Ling, Chongyi; Shi, Li; Ouyang, Yixin; Zeng, Xiao Cheng; Wang, Jinlan

2017-08-09

Nanosheet supported single-atom catalysts (SACs) can make full use of metal atoms and yet entail high selectivity and activity, and bifunctional catalysts can enable higher performance while lowering the cost than two separate unifunctional catalysts. Supported single-atom bifunctional catalysts are therefore of great economic interest and scientific importance. Here, on the basis of first-principles computations, we report a design of the first single-atom bifunctional eletrocatalyst, namely, isolated nickel atom supported on β 12 boron monolayer (Ni 1 /β 12 -BM), to achieve overall water splitting. This nanosheet supported SAC exhibits remarkable electrocatalytic performance with the computed overpotential for oxygen/hydrogen evolution reaction being just 0.40/0.06 V. The ab initio molecular dynamics simulation shows that the SAC can survive up to 800 K elevated temperature, while enacting a high energy barrier of 1.68 eV to prevent isolated Ni atoms from clustering. A viable experimental route for the synthesis of Ni 1 /β 12 -BM SAC is demonstrated from computer simulation. The desired nanosheet supported single-atom bifunctional catalysts not only show great potential for achieving overall water splitting but also offer cost-effective opportunities for advancing clean energy technology.
Dye-sensitized solar cells: Atomic scale investigation of interface structure and dynamics

International Nuclear Information System (INIS)

Ma Wei; Zhang Fan; Meng Sheng

2014-01-01

Recent progress in dye-sensitized solar cells (DSC) research is reviewed, focusing on atomic-scale investigations of the interface electronic structures and dynamical processes, including the structure of dye adsorption onto TiO 2 , ultrafast electron injection, hot-electron injection, multiple-exciton generation, and electron—hole recombination. Advanced experimental techniques and theoretical approaches are briefly summarized, and then progressive achievements in photovoltaic device optimization based on insights from atomic scale investigations are introduced. Finally, some challenges and opportunities for further improvement of dye solar cells are presented. (invited review — international conference on nanoscience and technology, china 2013)
Atomic force microscopy for cellular level manipulation: imaging intracellular structures and DNA delivery through a membrane hole.

Science.gov (United States)

Afrin, Rehana; Zohora, Umme Salma; Uehara, Hironori; Watanabe-Nakayama, Takahiro; Ikai, Atsushi

2009-01-01

The atomic force microscope (AFM) is a versatile tool for imaging, force measurement and manipulation of proteins, DNA, and living cells basically at the single molecular level. In the cellular level manipulation, extraction, and identification of mRNA's from defined loci of a cell, insertion of plasmid DNA and pulling of membrane proteins, for example, have been reported. In this study, AFM was used to create holes at defined loci on the cell membrane for the investigation of viability of the cells after hole creation, visualization of intracellular structure through the hole and for targeted gene delivery into living cells. To create large holes with an approximate diameter of 5-10 microm, a phospholipase A(2) coated bead was added to the AFM cantilever and the bead was allowed to touch the cell surface for approximately 5-10 min. The evidence of hole creation was obtained mainly from fluorescent image of Vybrant DiO labeled cell before and after the contact with the bead and the AFM imaging of the contact area. In parallel, cells with a hole were imaged by AFM to reveal intracellular structures such as filamentous structures presumably actin fibers and mitochondria which were identified with fluorescent labeling with rhodamine 123. Targeted gene delivery was also attempted by inserting an AFM probe that was coated with the Monster Green Fluorescent Protein phMGFP Vector for transfection of the cell. Following targeted transfection, the gene expression of green fluorescent protein (GFP) was observed and confirmed by the fluorescence microscope. Copyright (c) 2009 John Wiley & Sons, Ltd.
Recurrence spectroscopy of atoms in electric fields: Failure of classical scaling laws near bifurcations

International Nuclear Information System (INIS)

Shaw, J.A.; Robicheaux, F.

1998-01-01

The photoabsorption spectra of atoms in a static external electric field shows modulations from recurrences: electron waves that go out from and return to the vicinity of the atomic core. Closed-orbit theory predicts the amplitudes and phases of these modulations in terms of closed classical orbits. A classical scaling law relates the properties of a closed orbit at one energy and field strength to its properties at another energy and field strength at fixed scaled energy ε=EF -1/2 . The scaling law states that the recurrence strength of orbits along the electric field axis scale as F 1/4 . We show how this law fails near bifurcations when the effective Planck constant ℎ≡ℎF 1/4 increases with increasing field at fixed ε. The recurrences of orbits away from the axis scale as F 1/8 in accordance with the classical prediction. These deviations from the classical scaling law are important in interpreting the recurrence spectra of atoms in current experiments. This leads to an extension of the uniform approximation developed by Gao and Delos [Phys. Rev. A 56, 356 (1997)] to complex momenta. copyright 1998 The American Physical Society
Chemical analysis of Zam Zam water of Saudi Arabia and drinking water supplies of Atomic Energy Research Establishment, Bangladesh

International Nuclear Information System (INIS)

Khan, M.A.; Sharif, A.K.M.; Idriss A, K.M.; Alamgir, M.

1991-01-01

The quality of water plays an important role to the living beings. Chemical analysis have been performed on Zam Zam water of Saudi Arabia and drinking water of the Atomic Energy Research Establishment, Bangladesh. Quantitative measurements of some essential elements (Ca, Mg, Na, K, Fe, Cu, Zn, Co and Ni) and toxic elements (Pb and Cd) were carried out using atomic absorption spectrometric method. Tests indicate that all three samples (Zam Zam, tap and solar pump water) are drinkable and palatable. pH measurements show that Zam Zam water is alkaline whereas both tap and solar pump water are slightly acidic

Quantitative Determination of Arsenic in Bottled Drinking Water Using Atomic Absorption Spectroscopy

Directory of Open Access Journals (Sweden)

Maria Guţu Claudia

2013-10-01

Full Text Available Background: Many studies have been performed in the past few years, to determine arsenic speciation in drinking water, food chain and environment, arsenic being a well-recognized carcinogenic and toxic agent mainly in its inorganic species. The instrumental techniques used for arsenic determination, such as hydride generation atomic absorption spectrometry (HGAAS, graphite furnace atomic absorption spectrometry (GFAAS and inductively coupled plasma mass spectrometry (ICP-MS, can provide a great sensitivity only on the total amount. Objective: The aim of this study was to develop a simple and rapid method and to analyze the concentration of total inorganic arsenic in bottled drinking water. Methods: Total arsenic was determined in samples from six different types of commercially available bottled drinking water using atomic absorption spectrometry with electrothermal or hydride generation vaporisation. All drinking water samples were acidified with 0.1M nitric acid to match the acidity of the standards. Results: The method was linear within the studied range (1-5 μg/L, R = 0.9943. The quantification limits for arsenic determination were 0.48 μg/L (HGAAS and 0.03 μg/L (GFAAS. The evaluated arsenic content in drinking water was within the accepted limits provided by law. Conclusions: A simple and sensitive method for the quantification of arsenic in drinking water using atomic absorbtion spectroscopy was described, which can be further used in toxicological studies. As an additional advantage, the system is very fast, efficient and environmental friendly
Solid-state electrochemistry on the nanometer and atomic scales: the scanning probe microscopy approach

Science.gov (United States)

Strelcov, Evgheni; Yang, Sang Mo; Jesse, Stephen; Balke, Nina; Vasudevan, Rama K.; Kalinin, Sergei V.

2016-01-01

Energy technologies of the 21st century require understanding and precise control over ion transport and electrochemistry at all length scales – from single atoms to macroscopic devices. This short review provides a summary of recent works dedicated to methods of advanced scanning probe microscopy for probing electrochemical transformations in solids at the meso-, nano- and atomic scales. Discussion presents advantages and limitations of several techniques and a wealth of examples highlighting peculiarities of nanoscale electrochemistry. PMID:27146961
Static and Dynamic Electron Microscopy Investigations at the Atomic and Ultrafast Scales

Science.gov (United States)

Suri, Pranav Kumar

Advancements in the electron microscopy capabilities - aberration-corrected imaging, monochromatic spectroscopy, direct-electron detectors - have enabled routine visualization of atomic-scale processes with millisecond temporal resolutions in this decade. This, combined with progress in the transmission electron microscopy (TEM) specimen holder technology and nanofabrication techniques, allows comprehensive experiments on a wide range of materials in various phases via in situ methods. The development of ultrafast (sub-nanosecond) time-resolved TEM with ultrafast electron microscopy (UEM) has further pushed the envelope of in situ TEM to sub-nanosecond temporal resolution while maintaining sub-nanometer spatial resolution. A plethora of materials phenomena - including electron-phonon coupling, phonon transport, first-order phase transitions, bond rotation, plasmon dynamics, melting, and dopant atoms arrangement - are not yet clearly understood and could be benefitted with the current in situ TEM capabilities having atomic-level and ultrafast precision. Better understanding of these phenomena and intrinsic material dynamics (e.g. how phonons propagate in a material, what time-scales are involved in a first-order phase transition, how fast a material melts, where dopant atoms sit in a crystal) in new-generation and technologically important materials (e.g. two-dimensional layered materials, semiconductor and magnetic devices, rare-earth-element-free permanent magnets, unconventional superconductors) could bring a paradigm shift in their electronic, structural, magnetic, thermal and optical applications. Present research efforts, employing cutting-edge static and dynamic in situ electron microscopy resources at the University of Minnesota, are directed towards understanding the atomic-scale crystallographic structural transition and phonon transport in an iron-pnictide parent compound LaFeAsO, studying the mechanical stability of fast moving hard-drive heads in heat
The cytotoxicity of organobismuth compounds with certain molecular structures can be diminished by replacing the bismuth atom with an antimony atom in the molecules.

Science.gov (United States)

Kohri, Kumiko; Yoshida, Eiko; Yasuike, Shuji; Fujie, Tomoya; Yamamoto, Chika; Kaji, Toshiyuki

2015-06-01

Organic-inorganic hybrid molecules, which are composed of an organic structure and metal(s), are indispensable for synthetic chemical reactions; however, their toxicity has been incompletely understood. In the present study, we discovered two cytotoxic organobismuth compounds whose cytotoxicity diminished upon replacement of the intramolecular bismuth atom with an antimony atom. The intracellular accumulation of the organobismuth compounds was much higher than that of the organoantimony compounds with the corresponding organic structures. We also showed that both the organic structure and bismuth atom are required for certain organobismuth compounds to exert their cytotoxic effect, suggesting that the cytotoxicity of such a compound is a result of an interaction between the organic structure and the bismuth atom. The present data suggest that organobismuth compounds with certain molecular structures exhibit cytotoxicity via an interaction between the molecular structure and the bismuth atom, and this cytotoxicity can be diminished by replacing the bismuth atom with an antimony atom, resulting in lower intracellular accumulation.
Dislocations and elementary processes of plasticity in FCC metals: atomic scale simulations

International Nuclear Information System (INIS)

Rodney, D.

2000-01-01

We present atomic-scale simulations of two elementary processes of FCC crystal plasticity. The first study consists in the simulation by molecular dynamics, in a nickel crystal, of the interactions between an edge dislocation and glissile interstitial loops of the type that form under irradiation in displacement cascades. The simulations show various atomic-scale interaction processes leading to the absorption and drag of the loops by the dislocation. These reactions certainly contribute to the formation of the 'clear bands' observed in deformed irradiated materials. The simulations also allow to study quantitatively the role of the glissile loops in irradiation hardening. In particular, dislocation unpinning stresses for certain pinning mechanisms are evaluated from the simulations. The second study consists first in the generalization in three dimensions of the quasi-continuum method (QCM), a multi-scale simulation method which couples atomistic techniques and the finite element method. In the QCM, regions close to dislocation cores are simulated at the atomic-scale while the rest of the crystal is simulated with a lower resolution by means of a discretization of the displacement fields using the finite element method. The QCM is then tested on the simulation of the formation and breaking of dislocation junctions in an aluminum crystal. Comparison of the simulations with an elastic model of dislocation junctions shows that the structure and strength of the junctions are dominated by elastic line tension effects, as is assumed in classical theories. (author)
Atomic-scale structure of single-layer MoS2 nanoclusters

DEFF Research Database (Denmark)

Helveg, S.; Lauritsen, J. V.; Lægsgaard, E.

2000-01-01

We have studied using scanning tunneling microscopy (STM) the atomic-scale realm of molybdenum disulfide (MoS2) nanoclusters, which are of interest as a model system in hydrodesulfurization catalysis. The STM gives the first real space images of the shape and edge structure of single-layer MoS2...
Sensing Noncollinear Magnetism at the Atomic Scale Combining Magnetic Exchange and Spin-Polarized Imaging.

Science.gov (United States)

Hauptmann, Nadine; Gerritsen, Jan W; Wegner, Daniel; Khajetoorians, Alexander A

2017-09-13

Storing and accessing information in atomic-scale magnets requires magnetic imaging techniques with single-atom resolution. Here, we show simultaneous detection of the spin-polarization and exchange force with or without the flow of current with a new method, which combines scanning tunneling microscopy and noncontact atomic force microscopy. To demonstrate the application of this new method, we characterize the prototypical nanoskyrmion lattice formed on a monolayer of Fe/Ir(111). We resolve the square magnetic lattice by employing magnetic exchange force microscopy, demonstrating its applicability to noncollinear magnetic structures for the first time. Utilizing distance-dependent force and current spectroscopy, we quantify the exchange forces in comparison to the spin-polarization. For strongly spin-polarized tips, we distinguish different signs of the exchange force that we suggest arises from a change in exchange mechanisms between the probe and a skyrmion. This new approach may enable both nonperturbative readout combined with writing by current-driven reversal of atomic-scale magnets.
Electron spin resonance of the solvation of radiation-produced silver atoms in alcohol-water mixtures

International Nuclear Information System (INIS)

Li, A.S.W.; Kevan, L.

1982-01-01

Frozen solutions of silver salts exposed to 60 Co γ-irradiation form silver atoms by reaction of radiation-produced electrons with the silver ion. At 4 K the silver atoms are initially produced in a nonequilibrium or presolvated state and upon brief thermal excitation to 77 K the first solvation shell geometry changes towards an equilibrium or solvated silver atom. This is most pronounced in water but also occurs in methanol, ethanol and n-propanol matrices. The changes in the electron spin resonance magnetic parameters upon silver atom solvation have been determined. In alcohol-water mixtures Ag 0 is preferentially solvated by polycrystalline water at low alcohol concentration. Above a particular alcohol mole percent Ag 0 suddenly changes its environment to a glassy alcohol one. This sudden change occurs at 17, 13 and 6 mol % methanol, ethanol and n-propanol, respectively. These mole percents correlate with the minimum of the excess enthalpy of mixing and with the hydrogen atom trapping ability of these alcohol-water mixtures. The results also suggest that the local environmental disorder around Ag 0 increases with alcohol chain length in alcohol-water frozen solutions. (author)
The improving of sodium cleaning device with atomized water

International Nuclear Information System (INIS)

Guo Huanfang; Zhang Xiufeng; Yu Chunli; Hong Shunzhang; Xing Chaoqing; Yuan Waimei

1999-04-01

The atomized water in N 2 under pressure can react with sodium on the sodium-soiled surfaces under control. This method has the following main advantages: The reaction proceeds at room temperature; high efficiency; fast reaction velocity; small quantity of water; the mechanical and/or corrosion damage by sodium reaction products can be avoided. The results of washing fuel element of CEFR (China Experimental Fast Reactor) were satisfactory
Molecular dynamics modeling of bonding two materials by atomic scale friction stir welding

Science.gov (United States)

Konovalenko S., Iv.; Konovalenko, Ig. S.; Psakhie, S. G.

2017-12-01

Molecular dynamics model of atomic scale friction stir welding has been developed. Formation of a butt joint between two crystallites was modeled by means of rotating rigid conical tool traveling along the butt joint line. The formed joint had an intermixed atomic structure composed of atoms initially belonged to the opposite mated piece of metal. Heat removal was modeled by adding the extra viscous force to peripheral atomic layers. This technique provides the temperature control in the tool-affected zone during welding. Auxiliary vibration action was added to the rotating tool. The model provides the variation of the tool's angular velocity, amplitude, frequency and direction of the auxiliary vibration action to provide modeling different welding modes.
Tuning magnetotransport in a compensated semimetal at the atomic scale

Science.gov (United States)

Wang, Lin; Gutiérrez-Lezama, Ignacio; Barreteau, Céline; Ubrig, Nicolas; Giannini, Enrico; Morpurgo, Alberto F.

2015-11-01

Either in bulk form, or in atomically thin crystals, layered transition metal dichalcogenides continuously reveal new phenomena. The latest example is 1T'-WTe2, a semimetal found to exhibit the largest known magnetoresistance in the bulk, and predicted to become a topological insulator in strained monolayers. Here we show that reducing the thickness through exfoliation enables the electronic properties of WTe2 to be tuned, which allows us to identify the mechanisms responsible for the observed magnetotransport down to the atomic scale. The longitudinal resistance and the unconventional magnetic field dependence of the Hall resistance are reproduced quantitatively by a classical two-band model for crystals as thin as six monolayers, whereas a crossover to an Anderson insulator occurs for thinner crystals. Besides establishing the origin of the magnetoresistance of WTe2, our results represent a complete validation of the classical theory for two-band electron-hole transport, and indicate that atomically thin WTe2 layers remain gapless semimetals.
Water dependency and water exploitation at global scale as indicators of water security

Science.gov (United States)

De Roo, A. P. J.; Beck, H.; Burek, P.; Bernard, B.

2015-12-01

A water dependency index has been developed indicating the dependency of water consumption from upstream sources of water, sometimes across (multiple) national border. This index is calculated at global scale using the 0.1 global LISFLOOD hydrological modelling system forced by WFDEI meteorological data for the timeframe 1979-2012. The global LISFLOOD model simulates the most important hydrological processes, as well as water abstraction and consumption from various sectors, and flood routing, at daily scale, with sub-timesteps for routing and subgrid parameterization related to elevation and landuse. The model contains also options for water allocation, to allow preferences of water use for particular sectors in water scarce periods. LISFLOOD is also used for the Global Flood Awareness System (GloFAS), the European Flood Awareness System (EFAS), continental scale climate change impact studies on floods and droughts. The water dependency indicator is calculated on a monthly basis, and various annual and multiannual indicators are derived from it. In this study, the indicator will be compared against water security areas known from other studies. Other indicators calculated are the Water Exploitation Index (WEI+), which is a commonly use water security indicator in Europe, and freshwater resources per capita indicators at regional, national and river basin scale. Several climate scnearios are run to indicate future trends in water security.
Atomic-scale Studies of Uranium Oxidation and Corrosion by Water Vapour

OpenAIRE

T. L. Martin; C. Coe; P. A. J. Bagot; P. Morrall; G. D. W Smith; T. Scott; M. P. Moody

2016-01-01

Understanding the corrosion of uranium is important for its safe, long-term storage. Uranium metal corrodes rapidly in air, but the exact mechanism remains subject to debate. Atom Probe Tomography was used to investigate the surface microstructure of metallic depleted uranium specimens following polishing and exposure to moist air. A complex, corrugated metal-oxide interface was observed, with approximately 60 at.% oxygen content within the oxide. Interestingly, a very thin (∼5 nm) interfacia...
Evidence for atomic scale disorder in indium nitride from perturbed angular correlation spectroscopy

International Nuclear Information System (INIS)

Dogra, R; Shrestha, S K; Byrne, A P; Ridgway, M C; Edge, A V J; Vianden, R; Penner, J; Timmers, H

2005-01-01

The crystal lattice of bulk grains and state-of-the-art films of indium nitride was investigated at the atomic scale with perturbed angular correlation spectroscopy using the 111 In/Cd radioisotope probe. The probe was introduced during sample synthesis, by diffusion and by ion implantation. The mean quadrupole interaction frequency ν Q = 28 MHz was observed at the indium probe site in all types of indium nitride samples with broad frequency distributions. The observed small, but non-zero, asymmetry parameter indicates broken symmetry around the probe atoms. Results have been compared with theoretical calculations based on the point charge model. The consistency of the experimental results and their independence of the preparation technique suggest that the origin of the broad frequency distribution is inherent to indium nitride, indicating a high degree of disorder at the atomic scale. Due to the low dissociation temperature of indium nitride, furnace and rapid thermal annealing at atmospheric pressure reduce the lattice disorder only marginally
Variable scaling method and Stark effect in hydrogen atom

International Nuclear Information System (INIS)

Choudhury, R.K.R.; Ghosh, B.

1983-09-01

By relating the Stark effect problem in hydrogen-like atoms to that of the spherical anharmonic oscillator we have found simple formulas for energy eigenvalues for the Stark effect. Matrix elements have been calculated using 0(2,1) algebra technique after Armstrong and then the variable scaling method has been used to find optimal solutions. Our numerical results are compared with those of Hioe and Yoo and also with the results obtained by Lanczos. (author)
Silicon protected with atomic layer deposited TiO2

DEFF Research Database (Denmark)

Seger, Brian; Tilley, David S.; Pedersen, Thomas

2013-01-01

The semiconducting materials used for photoelectrochemical (PEC) water splitting must withstand the corrosive nature of the aqueous electrolyte over long time scales in order to be a viable option for large scale solar energy conversion. Here we demonstrate that atomic layer deposited titanium di...
Imaging and controlling intracellular reactions: Lysosome transport as a function of diameter and the intracellular synthesis of conducting polymers

Science.gov (United States)

Payne, Christine

2014-03-01

Eukaryotic cells are the ultimate complex environment with intracellular chemical reactions regulated by the local cellular environment. For example, reactants are sequestered into specific organelles to control local concentration and pH, motor proteins transport reactants within the cell, and intracellular vesicles undergo fusion to bring reactants together. Current research in the Payne Lab in the School of Chemistry and Biochemistry at Georgia Tech is aimed at understanding and utilizing this complex environment to control intracellular chemical reactions. This will be illustrated using two examples, intracellular transport as a function of organelle diameter and the intracellular synthesis of conducting polymers. Using single particle tracking fluorescence microscopy, we measured the intracellular transport of lysosomes, membrane-bound organelles, as a function of diameter as they underwent transport in living cells. Both ATP-dependent active transport and diffusion were examined. As expected, diffusion scales with the diameter of the lysosome. However, active transport is unaffected suggesting that motor proteins are insensitive to cytosolic drag. In a second example, we utilize intracellular complexity, specifically the distinct micro-environments of different organelles, to carry out chemical reactions. We show that catalase, found in the peroxisomes of cells, can be used to catalyze the polymerization of the conducting polymer PEDOT:PSS. More importantly, we have found that a range of iron-containing biomolecules are suitable catalysts with different iron-containing biomolecules leading to different polymer properties. These experiments illustrate the advantage of intracellular complexity for the synthesis of novel materials.
True atomic-scale imaging of a spinel Li{sub 4}Ti{sub 5}O{sub 12}(111) surface in aqueous solution by frequency-modulation atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Kitta, Mitsunori, E-mail: m-kitta@aist.go.jp; Kohyama, Masanori [Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology, 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Onishi, Hiroshi [Department of Chemistry, Graduate School of Science, Kobe University 1-1 Rokkodai, Nada, Kobe 657-8501 (Japan)

2014-09-15

Spinel-type lithium titanium oxide (LTO; Li{sub 4}Ti{sub 5}O{sub 12}) is a negative electrode material for lithium-ion batteries. Revealing the atomic-scale surface structure of LTO in liquid is highly necessary to investigate its surface properties in practical environments. Here, we reveal an atomic-scale image of the LTO(111) surface in LiCl aqueous solution using frequency-modulation atomic force microscopy. Atomically flat terraces and single steps having heights of multiples of 0.5 nm were observed in the aqueous solution. Hexagonal bright spots separated by 0.6 nm were also observed on the flat terrace part, corresponding to the atomistic contrast observed in the ultrahigh vacuum condition, which suggests that the basic atomic structure of the LTO(111) surface is retained without dramatic reconstruction even in the aqueous solution.
Organization and scaling in water supply networks

Science.gov (United States)

Cheng, Likwan; Karney, Bryan W.

2017-12-01

Public water supply is one of the society's most vital resources and most costly infrastructures. Traditional concepts of these networks capture their engineering identity as isolated, deterministic hydraulic units, but overlook their physics identity as related entities in a probabilistic, geographic ensemble, characterized by size organization and property scaling. Although discoveries of allometric scaling in natural supply networks (organisms and rivers) raised the prospect for similar findings in anthropogenic supplies, so far such a finding has not been reported in public water or related civic resource supplies. Examining an empirical ensemble of large number and wide size range, we show that water supply networks possess self-organized size abundance and theory-explained allometric scaling in spatial, infrastructural, and resource- and emission-flow properties. These discoveries establish scaling physics for water supply networks and may lead to novel applications in resource- and jurisdiction-scale water governance.
Implementation of atomic layer etching of silicon: Scaling parameters, feasibility, and profile control

Energy Technology Data Exchange (ETDEWEB)

Ranjan, Alok, E-mail: alok.ranjan@us.tel.com; Wang, Mingmei; Sherpa, Sonam D.; Rastogi, Vinayak [TEL Technology Center, America LLC, 255 Fuller Road, Suite 214, Albany, New York 12203 (United States); Koshiishi, Akira [Tokyo Electron Miyagi, Ltd., 1 Techno-Hills, Taiwa-cho, Kurokawa-gun, Miyagi, 9813629 (Japan); Ventzek, Peter L. G. [Tokyo Electron America, Inc., 2400 Grove Blvd., Austin, Texas 78741 (United States)

2016-05-15

Atomic or layer by layer etching of silicon exploits temporally segregated self-limiting adsorption and material removal steps to mitigate the problems associated with continuous or quasicontinuous (pulsed) plasma processes: selectivity loss, damage, and profile control. Successful implementation of atomic layer etching requires careful choice of the plasma parameters for adsorption and desorption steps. This paper illustrates how process parameters can be arrived at through basic scaling exercises, modeling and simulation, and fundamental experimental tests of their predictions. Using chlorine and argon plasma in a radial line slot antenna plasma source as a platform, the authors illustrate how cycle time, ion energy, and radical to ion ratio can be manipulated to manage the deviation from ideality when cycle times are shortened or purges are incomplete. Cell based Monte Carlo feature scale modeling is used to illustrate profile outcomes. Experimental results of atomic layer etching processes are illustrated on silicon line and space structures such that iso-dense bias and aspect ratio dependent free profiles are produced. Experimental results also illustrate the profile control margin as processes move from atomic layer to multilayer by layer etching. The consequence of not controlling contamination (e.g., oxygen) is shown to result in deposition and roughness generation.

Polarized atomic orbitals for linear scaling methods

Science.gov (United States)

Berghold, Gerd; Parrinello, Michele; Hutter, Jürg

2002-02-01

We present a modified version of the polarized atomic orbital (PAO) method [M. S. Lee and M. Head-Gordon, J. Chem. Phys. 107, 9085 (1997)] to construct minimal basis sets optimized in the molecular environment. The minimal basis set derives its flexibility from the fact that it is formed as a linear combination of a larger set of atomic orbitals. This approach significantly reduces the number of independent variables to be determined during a calculation, while retaining most of the essential chemistry resulting from the admixture of higher angular momentum functions. Furthermore, we combine the PAO method with linear scaling algorithms. We use the Chebyshev polynomial expansion method, the conjugate gradient density matrix search, and the canonical purification of the density matrix. The combined scheme overcomes one of the major drawbacks of standard approaches for large nonorthogonal basis sets, namely numerical instabilities resulting from ill-conditioned overlap matrices. We find that the condition number of the PAO overlap matrix is independent from the condition number of the underlying extended basis set, and consequently no numerical instabilities are encountered. Various applications are shown to confirm this conclusion and to compare the performance of the PAO method with extended basis-set calculations.
Quantification of the Intracellular Life Time of Water Molecules to Measure Transport Rates of Human Aquaglyceroporins.

Science.gov (United States)

Palmgren, Madelene; Hernebring, Malin; Eriksson, Stefanie; Elbing, Karin; Geijer, Cecilia; Lasič, Samo; Dahl, Peter; Hansen, Jesper S; Topgaard, Daniel; Lindkvist-Petersson, Karin

2017-12-01

Orthodox aquaporins are transmembrane channel proteins that facilitate rapid diffusion of water, while aquaglyceroporins facilitate the diffusion of small uncharged molecules such as glycerol and arsenic trioxide. Aquaglyceroporins play important roles in human physiology, in particular for glycerol metabolism and arsenic detoxification. We have developed a unique system applying the strain of the yeast Pichia pastoris, where the endogenous aquaporins/aquaglyceroporins have been removed and human aquaglyceroporins AQP3, AQP7, and AQP9 are recombinantly expressed enabling comparative permeability measurements between the expressed proteins. Using a newly established Nuclear Magnetic Resonance approach based on measurement of the intracellular life time of water, we propose that human aquaglyceroporins are poor facilitators of water and that the water transport efficiency is similar to that of passive diffusion across native cell membranes. This is distinctly different from glycerol and arsenic trioxide, where high glycerol transport efficiency was recorded.
The Scales of Time, Length, Mass, Energy, and Other Fundamental Physical Quantities in the Atomic World and the Use of Atomic Units in Quantum Mechanical Calculations

Science.gov (United States)

Teo, Boon K.; Li, Wai-Kee

2011-01-01

This article is divided into two parts. In the first part, the atomic unit (au) system is introduced and the scales of time, space (length), and speed, as well as those of mass and energy, in the atomic world are discussed. In the second part, the utility of atomic units in quantum mechanical and spectroscopic calculations is illustrated with…
Water Adsorption and Dissociation on Ceria-Supported Single-Atom Catalysts: A First-Principles DFT+U Investigation.

Science.gov (United States)

Han, Zhong-Kang; Gao, Yi

2016-02-01

Single-atom catalysts have attracted wide attention owing to their extremely high atom efficiency and activities. In this paper, we applied density functional theory with the inclusion of the on-site Coulomb interaction (DFT+U) to investigate water adsorption and dissociation on clean CeO 2 (111) surfaces and single transition metal atoms (STMAs) adsorbed on the CeO 2 (111) surface. It is found that the most stable water configuration is molecular adsorption on the clean CeO 2 (111) surface and dissociative adsorption on STMA/CeO 2 (111) surfaces, respectively. In addition, our results indicate that the more the electrons that transfer from STMA to the ceria substrate, the stronger the binding energies between the STMA and ceria surfaces. A linear relationship is identified between the water dissociation barriers and the d band centers of STMA, known as the generalized Brønsted-Evans-Polanyi principle. By combining the oxygen spillovers, single-atom dispersion stabilities, and water dissociation barriers, Zn, Cr, and V are identified as potential candidates for the future design of ceria-supported single-atom catalysts for reactions in which the dissociation of water plays an important role, such as the water-gas shift reaction. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Atomic-Scale Nuclear Spin Imaging Using Quantum-Assisted Sensors in Diamond

Directory of Open Access Journals (Sweden)

A. Ajoy

2015-01-01

Full Text Available Nuclear spin imaging at the atomic level is essential for the understanding of fundamental biological phenomena and for applications such as drug discovery. The advent of novel nanoscale sensors promises to achieve the long-standing goal of single-protein, high spatial-resolution structure determination under ambient conditions. In particular, quantum sensors based on the spin-dependent photoluminescence of nitrogen-vacancy (NV centers in diamond have recently been used to detect nanoscale ensembles of external nuclear spins. While NV sensitivity is approaching single-spin levels, extracting relevant information from a very complex structure is a further challenge since it requires not only the ability to sense the magnetic field of an isolated nuclear spin but also to achieve atomic-scale spatial resolution. Here, we propose a method that, by exploiting the coupling of the NV center to an intrinsic quantum memory associated with the nitrogen nuclear spin, can reach a tenfold improvement in spatial resolution, down to atomic scales. The spatial resolution enhancement is achieved through coherent control of the sensor spin, which creates a dynamic frequency filter selecting only a few nuclear spins at a time. We propose and analyze a protocol that would allow not only sensing individual spins in a complex biomolecule, but also unraveling couplings among them, thus elucidating local characteristics of the molecule structure.
The self-breaking mechanism of atomic scale Au nanocontacts

International Nuclear Information System (INIS)

Nakazumi, Tomoka; Kiguchi, Manabu; Wada, Yasuo

2012-01-01

We have investigated the self-breaking mechanism of atomic scale Au nanocontacts at room temperature in air. In the conductance traces, we frequently observed traces showing both a 1G 0 (2e 2 /h) and 3G 0 plateaux, or only a 2G 0 plateau in the conductance regime below 3G 0 . The statistical analysis showed a negative correlation between the appearance of 1G 0 and 2G 0 peaks, and a positive correlation between 1G 0 and 3G 0 peaks. This conductance behavior suggested that the symmetric triple atomic rows changed into a symmetric single row, while the asymmetric double rows broke without changing into a symmetric single row. The regular self-breaking process can be explained by the breaking of the thermodynamically stable Au nanocontacts which were formed during the self-breaking of the contacts. (paper)
Effect of Atomic Charges on Octanol–Water Partition Coefficient Using Alchemical Free Energy Calculation

Directory of Open Access Journals (Sweden)

Koji Ogata

2018-02-01

Full Text Available The octanol–water partition coefficient (logPow is an important index for measuring solubility, membrane permeability, and bioavailability in the drug discovery field. In this paper, the logPow values of 58 compounds were predicted by alchemical free energy calculation using molecular dynamics simulation. In free energy calculations, the atomic charges of the compounds are always fixed. However, they must be recalculated for each solvent. Therefore, three different sets of atomic charges were tested using quantum chemical calculations, taking into account vacuum, octanol, and water environments. The calculated atomic charges in the different environments do not necessarily influence the correlation between calculated and experimentally measured ∆Gwater values. The largest correlation coefficient values of the solvation free energy in water and octanol were 0.93 and 0.90, respectively. On the other hand, the correlation coefficient of logPow values calculated from free energies, the largest of which was 0.92, was sensitive to the combination of the solvation free energies calculated from the calculated atomic charges. These results reveal that the solvent assumed in the atomic charge calculation is an important factor determining the accuracy of predicted logPow values.
Influence of atomic force microscope tip-sample interaction on the study of scaling behavior

NARCIS (Netherlands)

Aue, J.; de Hosson, J.T.M.

1997-01-01

Images acquired with atomic force microscopy are based on tip-sample interaction. It is shown that using scanning probe techniques for determining scaling parameters of a surface leads to an underestimate of the actual scaling dimension, due to the dilation of tip and surface. How much we
Corroded scale analysis from water distribution pipes

Directory of Open Access Journals (Sweden)

Rajaković-Ognjanović Vladana N.

2011-01-01

Full Text Available The subject of this study was the steel pipes that are part of Belgrade's drinking water supply network. In order to investigate the mutual effects of corrosion and water quality, the corrosion scales on the pipes were analyzed. The idea was to improve control of corrosion processes and prevent impact of corrosion on water quality degradation. The instrumental methods for corrosion scales characterization used were: scanning electron microscopy (SEM, for the investigation of corrosion scales of the analyzed samples surfaces, X-ray diffraction (XRD, for the analysis of the presence of solid forms inside scales, scanning electron microscopy (SEM, for the microstructural analysis of the corroded scales, and BET adsorption isotherm for the surface area determination. Depending on the composition of water next to the pipe surface, corrosion of iron results in the formation of different compounds and solid phases. The composition and structure of the iron scales in the drinking water distribution pipes depends on the type of the metal and the composition of the aqueous phase. Their formation is probably governed by several factors that include water quality parameters such as pH, alkalinity, buffer intensity, natural organic matter (NOM concentration, and dissolved oxygen (DO concentration. Factors such as water flow patterns, seasonal fluctuations in temperature, and microbiological activity as well as water treatment practices such as application of corrosion inhibitors can also influence corrosion scale formation and growth. Therefore, the corrosion scales found in iron and steel pipes are expected to have unique features for each site. Compounds that are found in iron corrosion scales often include goethite, lepidocrocite, magnetite, hematite, ferrous oxide, siderite, ferrous hydroxide, ferric hydroxide, ferrihydrite, calcium carbonate and green rusts. Iron scales have characteristic features that include: corroded floor, porous core that contains
Intracellular crowding effects on the self-association of the bacterial cell division protein FtsZ.

Science.gov (United States)

Naddaf, Lamis; Sayyed-Ahmad, Abdallah

2014-12-15

The dimerization rate of the bacterial cell division protein FtsZ is strongly affected by the intracellular crowding. Yet the complexity of the intracellular environment makes it difficult to investigate via all-atom molecular dynamics or other detailed theoretical methods. We study the crowding effect on FtsZ dimerization which is the first step of an oligomerization process that results in more elaborate supramolecular structures. In particular, we consider the effect of intracellular crowding on the reaction rates, and their dependence on the different concentrations of crowding agents. We achieved this goal by using Brownian dynamics (BD) simulation techniques and a modified post-processing approach in which we decompose the rate constant in crowded media as a product of the rate constant in the dilute solution times a factor that incorporates the crowding effect. The latter factor accounts for the diffusion reduction and crowder induced energy. In addition we include the crowding effects on water viscosity in the BD simulations of crowded media. We finally show that biomolecular crowding has a considerable effect on the FtsZ dimerization by increasing the dimerization rate constant from 2.6×10(7)M(-1)s(-1) in the absence of crowders to 1.0×10(8)M(-1)s(-1) at crowding level of 0.30. Copyright © 2014 Elsevier Inc. All rights reserved.
Gravitational theory in atomic scale units in Dirac cosmology

International Nuclear Information System (INIS)

Davidson, W.

1984-01-01

The implication of Dirac's large numbers hypothesis (LNH) that there are two cosmological space-time metrics, gravitational (E) and atomic (A), is used to formulate the gravitational laws for a general mass system in atomic scale units within such a cosmology. The gravitational laws are illustrated in application to the case of a single spherical mass immersed in the smoothed out expanding universe. The condition is determined for such a metric to apply approximately just outside a typical member of a cosmic distribution of such masses. Conversely, the condition is given when the influence of the universe as a whole can be neglected outside such a mass. In the latter situation, which applies in particular to stars, a Schwarzschild-type metric is derived which incorporates variable G in accordance with the LNH. The dynamics of freely moving particles and photons in such a metric are examined according to the theory and observational tests are formulated. (author)
Dielectric discontinuity at interfaces in the atomic-scale limit: permittivity of ultrathin oxide films on silicon.

Science.gov (United States)

Giustino, Feliciano; Umari, Paolo; Pasquarello, Alfredo

2003-12-31

Using a density-functional approach, we study the dielectric permittivity across interfaces at the atomic scale. Focusing on the static and high-frequency permittivities of SiO2 films on silicon, for oxide thicknesses from 12 A down to the atomic scale, we find a departure from bulk values in accord with experiment. A classical three-layer model accounts for the calculated permittivities and is supported by the microscopic polarization profile across the interface. The local screening varies on length scales corresponding to first-neighbor distances, indicating that the dielectric transition is governed by the chemical grading. Silicon-induced gap states are shown to play a minor role.
The projects for heavy water production of the Argentine National Atomic Energy Commission

International Nuclear Information System (INIS)

Garcia Bourg, J.M.; Garcia, E.E.

1982-01-01

The bases and scope of the projects for heavy water production that are being currently developed by the Argentine National Atomic Energy Commission (CNEA) are described. As an introduction, the following points are presented: a) the fundamentals of heavy water utilization in a nuclear reactor, with a mention of its properties and uses, b) a review of the physicochemical bases of the principal methods for heavy water production: chemical exchange (monothermal and bithermal processes), distillation and electrolysis, with tables summarizing the fundamental characteristics of the first two ones, and an evaluation of the different production methods from the viewpoint of their application in an industrial scale; and c) a synthetic information, in the form of tables, about the world's heavy water production. The subject of heavy water production in Argentina is treated in the principal section, describing the scope, location, main characteristics and chemical processes corresponding to the projects being developed by CNEA, which currently are the installation of an Industrial Plant in Arroyito (Province of Neuquen), purchased on a turnkey basis and using the NH 3 /H 2 isotopic exchange method; the installation of an Experimental Plant in Atucha (Province of Buenos Aires), for the development of the domestic technology of heavy-water production by the SH 2 /H 2 O isotopic exchange method, and the development of the engineering of an industrial plant (''Module 80''), based on the Experimental Plant's technology. (M.E.L.) [es
Calculations of recombination rates for cold 4He atoms from atom-dimer phase shifts and determination of universal scaling functions

International Nuclear Information System (INIS)

Shepard, J. R.

2007-01-01

Three-body recombination rates for cold 4 He are calculated with a method which exploits the simple relationship between the imaginary part of the atom-dimer elastic scattering phase shift and the S-matrix for recombination. The elastic phase shifts are computed above breakup threshold by solving a three-body Faddeev equation in momentum space with inputs based on a variety of modern atom-atom potentials. Recombination coefficients for the HFD-B3-FCII potential agree very well with the only previously published results. Since the elastic scattering and recombination processes for 4 He are governed by 'Efimov physics', they depend on universal functions of a scaling variable. The computed recombination coefficients for potentials other than HFD-B3-FCII make it possible to determine these universal functions
Atomic scale resolution with correlation holography

International Nuclear Information System (INIS)

Csonka, P.L.

1979-01-01

For many atoms (including atoms of interest in biology) the elastic and inelastic photon scattering cross sections (denoted respectively by sigma/sub el/ and sigma/sub inel/) for photons in the wavelength region of interest, satisfy sigma/sub el/ << sigma/sub inel/. Therefore, the probability is high that when illuminated with photons, such an atom will decay before a holographic picture of it can be taken. On the other hand, if certain nonlinear phenomena: correlations between photons are taken into account, a hologram of such atoms can nevertheless be generated. Observation of small objects is compatible with the principles of quantum mechanics, even if the probability of disturbing the object as a result of observation is arbitrarily small
Micro-scale heterogeneity in water temperature | Dallas | Water SA

African Journals Online (AJOL)

Micro-scale heterogeneity in water temperature was examined in 6 upland sites in the Western Cape, South Africa. Hourly water temperature data converted to daily data showed that greatest differences were apparent in daily maximum temperatures between shallow- and deep-water biotopes during the warmest period of ...
Study on the application of electrothermal atomization atomic absorption spectrometry for the determination of metallic Cu, Pb, Zn, Cd traces in sea water samples

International Nuclear Information System (INIS)

Nguyen Thi Kim Dung; Doan Thanh Son; Tran Thi Ngoc Diep

2004-01-01

The trace amount of some heavy metallic elements (Cu, Zn, Pb, Cd) in sea water samples were determined directly (without separation) and quantitatively by using Electro-Thermal Atomization Atomic Absorption Spectrometry (ETA-AAS). The effect of mainly major constituents such as Na, Mg, Ca, K, and the mutual effect of the trace elements, which were present in the matrix on the absorption intensity of each analyzed element was studied. The adding of a certain chemical modification for each trace element was also investigated in order to eliminate the overall effect of the background during the pyrolysis and atomization. The sea water sample after fitrating through a membrane with 0.45 μm-hole size was injected in to the graphite tube via an autosampler (MPE50). The absorption intensity of each element was then measured on the VARIO-6 under the optimum parameters for spectrometer such as: maximum wavelength, current of hollow cathode lamp, and that for graphite furnace such as dry temperature, pyrolysis temperature, atomization temperature, ect. The analytical procedures were set-up and applied for the determination of these above mentioned elements in the synthesized sea water sample and in the real sea water samples with high precision and accuracy. (author)
Complete all-atom hydrodynamics of protein unfolding in uniform flow

International Nuclear Information System (INIS)

Wang, Guan M; Sandberg, William C

2010-01-01

The unfolding dynamics of a protein, ubiquitin, pinned in several uniform flows, was studied at low and high flow rates in an all-atom style through a non-equilibrium molecular dynamics approach with explicit water molecules included. Atomic hydrodynamic force components on individual amino acids, as a function of time, due to the collisional interactions with the flowing water molecules were calculated explicitly. The protein conformational change in response to those time-varying forces was computed completely at the high flow rate up to nanosecond until the fully stretched state was reached. The end-to-end length of the single ubiquitin protein molecule at high flow rate is smoothly increasing. The step-like jumps between metastable states that describe the μm ms -1 scale force pulling experiments conducted on polyubiquitins at low flow rates, are not seen at the high flow speeds necessary to computationally probe the ns nm -1 scale regime. No unfolding was observed in the low flow rate atomic computations at nanosecond scale while partial and complete unfolding was observed in the coarse-grained low flow rate computations at microsecond scale. Examination of the all-atom computation of the time variation of the hydrodynamic forces on, and the velocity components of, the protein molecule unveiled to some extent the details of the complexity of the hydrodynamic friction variation in the nm ns -1 regime of high rate flow-driven protein unfolding. This demonstrates quantitatively that all-atom computations are more suitable than the Langevin equation or Brownian dynamics methods for probing the interaction dynamics and resulting conformational dynamics of protein unfolding in strong flows on nm ns -1 time/length scales while the reverse is true for investigation of slow, diffusively driven systems.
Review of coal-water fuel pulverization technology and atomization quality registration methods

Directory of Open Access Journals (Sweden)

Zenkov Andrey

2017-01-01

Full Text Available Possibilities of coal-water fuel application in industrial power engineering are considered and described. Two main problems and disadvantages of this fuel type are suggested. The paper presents information about liquid fuel atomization technologies and provides data on nozzle type for coal-water fuel pulverization. This article also mentions some of the existing technologies for coal-water slurry spraying quality determination.
Fast Atomic-Scale Elemental Mapping of Crystalline Materials by STEM Energy-Dispersive X-Ray Spectroscopy Achieved with Thin Specimens.

Science.gov (United States)

Lu, Ping; Yuan, Renliang; Zuo, Jian Min

2017-02-01

Elemental mapping at the atomic-scale by scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDS) provides a powerful real-space approach to chemical characterization of crystal structures. However, applications of this powerful technique have been limited by inefficient X-ray emission and collection, which require long acquisition times. Recently, using a lattice-vector translation method, we have shown that rapid atomic-scale elemental mapping using STEM-EDS can be achieved. This method provides atomic-scale elemental maps averaged over crystal areas of ~few 10 nm2 with the acquisition time of ~2 s or less. Here we report the details of this method, and, in particular, investigate the experimental conditions necessary for achieving it. It shows, that in addition to usual conditions required for atomic-scale imaging, a thin specimen is essential for the technique to be successful. Phenomenological modeling shows that the localization of X-ray signals to atomic columns is a key reason. The effect of specimen thickness on the signal delocalization is studied by multislice image simulations. The results show that the X-ray localization can be achieved by choosing a thin specimen, and the thickness of less than about 22 nm is preferred for SrTiO3 in [001] projection for 200 keV electrons.

Atomic-scale origin of piezoelectricity in wurtzite ZnO.

Science.gov (United States)

Lee, Jung-Hoon; Lee, Woo-Jin; Lee, Sung-Hoon; Kim, Seong Min; Kim, Sungjin; Jang, Hyun Myung

2015-03-28

ZnO has been extensively studied by virtue of its remarkably high piezoelectric responses, especially in nanowire forms. Currently, the high piezoelectricity of wurtzite ZnO is understood in terms of the covalent-bonding interaction between Zn 3d and O 2p orbitals. However, the Zn 3d orbitals are not capable of forming hybridized orbitals with the O 2pz orbitals since the Zn ion is characterized by fully filled non-interacting 3d orbitals. To resolve this puzzling problem, we have investigated the atomic-scale origin of piezoelectricity by exploiting density-functional theory calculations. On the basis of the computed orbital-resolved density of states and the band structure over the Γ-M first Brillouin zone, we propose an intriguing bonding mechanism that accounts for the observed high piezoelectricity - intra-atomic 3dz(2)-4pz orbital self-mixing of Zn, followed by asymmetric hybridization between the Zn 3dz(2)-4pz self-mixed orbital and the O 2pz orbital along the polar c-axis of the wurtzite ZnO.
Determination of trace amounts of cadmium in sea water by a flameless atomic absorption method

International Nuclear Information System (INIS)

Yamazoe, Seigo; Oshima, Shozo

1975-01-01

Determination of trace amounts of cadmium in sea water has been developed by a flameless atomic absorption method using a carbon rod atomizer. Sea water is diluted with isopropyl alcohol and the white salt formed is removed by filtration, then the filtrate is fed to the instrument as a sample for measurement. A complete separation of the salt is not needed in this pre-treatment. The effect of the residual salt can be avoided by separating the atomic absorption of cadmium and the molecular absorption of the residual salt by means of controlling the temperature and the time of ashing and atomization of the sample in the carbon rod. The repeatability and the accuracy are 2.0--8.5% in the coefficient of variation and 0.8--5.3% respectively. (auth.)
Atomic-scale structure and electrostatics of anionic palmitoyloleoylphosphatidylglycerol lipid bilayers with Na+ counterions

NARCIS (Netherlands)

Zhao, W.; Róg, T.; Gurtovenko, A.A.; Vattulainen, I.; Karttunen, M.E.J.

2007-01-01

Anionic palmitoyloleoylphosphatidylglycerol (POPG) is one of the most abundant lipids in nature, yet its atomic-scale properties have not received significant attention. Here we report extensive 150-ns molecular dynamics simulations of a pure POPG lipid membrane with sodium counterions. It turns out
Visible Light Emission from Atomic Scale Patterns Fabricated by the Scanning Tunneling Microscope

DEFF Research Database (Denmark)

Thirstrup, C.; Sakurai, M.; Stokbro, Kurt

1999-01-01

Scanning tunneling microscope (STM) induced light emission from artificial atomic scale structures comprising silicon dangling bonds on hydrogen-terminated Si(001) surfaces has been mapped spatially and analyzed spectroscopically in the visible spectral range. The light emission is based on a novel...
Inhomogeneous thermal expansion of metallic glasses in atomic-scale studied by in-situ synchrotron X-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Taghvaei, Amir Hossein, E-mail: amirtaghvaei@gmail.com [Department of Materials Science and Engineering, Shiraz University of Technology, Shiraz (Iran, Islamic Republic of); Shakur Shahabi, Hamed [IFW Dresden, Institute for Complex Materials, Helmholtzstr. 20, 01069 Dresden (Germany); Bednarčik, Jozef [Photon Science DESY, Notkestraße 85, 22603 Hamburg (Germany); Eckert, Jürgen [IFW Dresden, Institute for Complex Materials, Helmholtzstr. 20, 01069 Dresden (Germany); TU Dresden, Institute of Materials Science, 01062 Dresden (Germany)

2015-01-28

Numerous investigations have demonstrated that the elastic strain in metallic glasses subjected to mechanical loading could be inhomogeneous in the atomic-scale and it increases with distance from an average atom and eventually reaches the macroscopic strain at larger inter-atomic distances. We have observed a similar behavior for the thermal strain imposed by heating of Co{sub 40}Fe{sub 22}Ta{sub 8}B{sub 30} glassy particles below the glass transition temperature by analysis of the scattering data obtained by in-situ high-energy synchrotron X-ray diffraction (XRD). The results imply that the volumetric thermal strains calculated from the shift in position of the principal diffraction maximum and reduced pair correlation function (PDF) peaks are in good agreement for the length scales beyond 0.6 nm, corresponding to the atoms located over the third near-neighbor shell. However, smaller and even negative volumetric thermal strains have been calculated based on the shifts in the positions of the second and first PDF peaks, respectively. The structural changes of Co{sub 40}Fe{sub 22}Ta{sub 8}B{sub 30} glassy particles are accompanied by decreasing the average coordination number of the first near-neighbor shell, which manifests the occurrence of local changes in the short-range order upon heating. It is believed that the detected length-scale dependence of the volumetric thermal strain is correlated with the local atomic rearrangements taking place in the topologically unstable regions of the glass governed by variations in the atomic-level stresses.
Effect of interlayer bonding strength and bending stiffness on 2-dimensional materials’ frictional properties at atomic-scale steps

International Nuclear Information System (INIS)

Lang, Haojie; Peng, Yitian; Zeng, Xingzhong

2017-01-01

Highlights: • Bending of uncovered step edge of 2-dimensional materials could be a common phenomenon during friction processes. • 2-dimensional materials with large interlayer bonding strength possess good frictional properties at step. • Increased bending stiffness of step edge could be the major reason that lateral force increased with step height. - Abstract: Atomic-scale steps generally presented in 2-dimensional materials have important influence on the overall nanotribological properties of surface. Frictional properties at atomic-scale steps of two types of 2-dimensional materials are studied using calibrated atomic force microscopy (AFM) tip sliding against the steps. The lateral force at uncovered step is larger than covered step due to the bending of step edge. The lateral force at monolayer uncovered step edge of h-BN is lower than graphene because h-BN possesses higher interlayer bonding strength than graphene and the bending of h-BN step edge is suppressed to some extent. The high uncovered step exhibits much larger lateral force than low uncovered step, which could be mainly induced by increased bending stiffness of step edge rather than increased step height. The results revealed that interlayer bonding strength and bending stiffness have great influence on the lateral force at atomic-scale steps. The studies can provide a further understanding of frictional properties at atomic scale steps and could be helpful for the applications of 2-dimensional materials as lubricant coating.
Effect of interlayer bonding strength and bending stiffness on 2-dimensional materials’ frictional properties at atomic-scale steps

Energy Technology Data Exchange (ETDEWEB)

Lang, Haojie; Peng, Yitian, E-mail: yitianpeng@dhu.edu.cn; Zeng, Xingzhong

2017-07-31

Highlights: • Bending of uncovered step edge of 2-dimensional materials could be a common phenomenon during friction processes. • 2-dimensional materials with large interlayer bonding strength possess good frictional properties at step. • Increased bending stiffness of step edge could be the major reason that lateral force increased with step height. - Abstract: Atomic-scale steps generally presented in 2-dimensional materials have important influence on the overall nanotribological properties of surface. Frictional properties at atomic-scale steps of two types of 2-dimensional materials are studied using calibrated atomic force microscopy (AFM) tip sliding against the steps. The lateral force at uncovered step is larger than covered step due to the bending of step edge. The lateral force at monolayer uncovered step edge of h-BN is lower than graphene because h-BN possesses higher interlayer bonding strength than graphene and the bending of h-BN step edge is suppressed to some extent. The high uncovered step exhibits much larger lateral force than low uncovered step, which could be mainly induced by increased bending stiffness of step edge rather than increased step height. The results revealed that interlayer bonding strength and bending stiffness have great influence on the lateral force at atomic-scale steps. The studies can provide a further understanding of frictional properties at atomic scale steps and could be helpful for the applications of 2-dimensional materials as lubricant coating.
Directed Atom-by-Atom Assembly of Dopants in Silicon.

Science.gov (United States)

Hudak, Bethany M; Song, Jiaming; Sims, Hunter; Troparevsky, M Claudia; Humble, Travis S; Pantelides, Sokrates T; Snijders, Paul C; Lupini, Andrew R

2018-05-17

The ability to controllably position single atoms inside materials is key for the ultimate fabrication of devices with functionalities governed by atomic-scale properties. Single bismuth dopant atoms in silicon provide an ideal case study in view of proposals for single-dopant quantum bits. However, bismuth is the least soluble pnictogen in silicon, meaning that the dopant atoms tend to migrate out of position during sample growth. Here, we demonstrate epitaxial growth of thin silicon films doped with bismuth. We use atomic-resolution aberration-corrected imaging to view the as-grown dopant distribution and then to controllably position single dopants inside the film. Atomic-scale quantum-mechanical calculations corroborate the experimental findings. These results indicate that the scanning transmission electron microscope is of particular interest for assembling functional materials atom-by-atom because it offers both real-time monitoring and atom manipulation. We envision electron-beam manipulation of atoms inside materials as an achievable route to controllable assembly of structures of individual dopants.
Tetragonal fcc-Fe induced by κ -carbide precipitates: Atomic scale insights from correlative electron microscopy, atom probe tomography, and density functional theory

Science.gov (United States)

Liebscher, Christian H.; Yao, Mengji; Dey, Poulumi; Lipińska-Chwalek, Marta; Berkels, Benjamin; Gault, Baptiste; Hickel, Tilmann; Herbig, Michael; Mayer, Joachim; Neugebauer, Jörg; Raabe, Dierk; Dehm, Gerhard; Scheu, Christina

2018-02-01

Correlative scanning transmission electron microscopy, atom probe tomography, and density functional theory calculations resolve the correlation between elastic strain fields and local impurity concentrations on the atomic scale. The correlative approach is applied to coherent interfaces in a κ -carbide strengthened low-density steel and establishes a tetragonal distortion of fcc-Fe. An interfacial roughness of ˜1 nm and a localized carbon concentration gradient extending over ˜2 -3 nm is revealed, which originates from the mechano-chemical coupling between local strain and composition.
Releasing intracellular product to prepare whole cell biocatalyst for biosynthesis of Monascus pigments in water-edible oil two-phase system.

Science.gov (United States)

Hu, Minglue; Zhang, Xuehong; Wang, Zhilong

2016-11-01

Selective releasing intracellular product in Triton X-100 micelle aqueous solution to prepare whole cell biocatalyst is a novel strategy for biosynthesis of Monascus pigments, in which cell suspension culture exhibits some advantages comparing with the corresponding growing cell submerged culture. In the present work, the nonionic surfactant Triton X-100 was successfully replaced by edible plant oils for releasing intracellular Monascus pigments. High concentration of Monascus pigments (with absorbance nearly 710 AU at 470 nm in the oil phase, normalized to the aqueous phase volume approximately 142 AU) was achieved by cell suspension culture in peanut oil-water two-phase system. Furthermore, the utilization of edible oil as extractant also fulfills the demand for application of Monascus pigments as natural food colorant.
Max Auwaerter symposium: spin mapping and spin manipulation on the atomic scale

International Nuclear Information System (INIS)

Wiesendanger, R.

2008-01-01

Full text: A fundamental understanding of magnetic and spin-dependent phenomena requires the determination of spin structures and spin excitations down to the atomic scale. The direct visualization of atomic-scale spin structures has first been accomplished for magnetic metals by combining the atomic resolution capability of Scanning Tunnelling Microscopy (STM) with spin sensitivity, based on vacuum tunnelling of spin-polarized electrons. The resulting technique, Spin-Polarized Scanning Tunnelling Microscopy (SP-STM), nowadays provides unprecedented insight into collinear and non-collinear spin structures at surfaces of magnetic nanostructures and has already led to the discovery of new types of magnetic order at the nanoscale. More recently, the development of subkelvin SP-STM has allowed studies of ground-state magnetic properties of individual magnetic adatoms on non-magnetic substrates as well as the magnetic interactions between them. Based on SP-STM experiments performed at temperatures of 300 mK, indirect magnetic exchange interactions at the sub-milli-electronvolt energy scale between individual paramagnetic adatoms as well as between adatoms and nearby magnetic nanostructures could directly be revealed in real space up to distances of several nanometers. In both cases we have observed an oscillatory behavior of the magnetic exchange coupling, alternating between ferromagnetic and antiferromagnetic, as a function of distance. Moreover, the detection of spin-dependent exchange and correlation forces has allowed a first direct real-space observation of spin structures at surfaces of antiferromagnetic insulators. This new type of scanning probe microscopy, called Magnetic Exchange Force Microscopy (MExFM), offers a powerful new tool to investigate different types of spin-spin interactions based on direct-, super-, or RKKY-type exchange down to the atomic level. By combining MExFM with high-precision measurements of damping forces, localized or confined spin
Review of chip-scale atomic clocks based on coherent population trapping

International Nuclear Information System (INIS)

Wang Zhong

2014-01-01

Research on chip-scale atomic clocks (CSACs) based on coherent population trapping (CPT) is reviewed. The background and the inspiration for the research are described, including the important schemes proposed to improve the CPT signal quality, the selection of atoms and buffer gases, and the development of micro-cell fabrication. With regard to the reliability, stability, and service life of the CSACs, the research regarding the sensitivity of the CPT resonance to temperature and laser power changes is also reviewed, as well as the CPT resonance's collision and light of frequency shifts. The first generation CSACs have already been developed but its characters are still far from our expectations. Our conclusion is that miniaturization and power reduction are the most important aspects calling for further research. (review)
Implementation of exterior complex scaling in B-splines to solve atomic and molecular collision problems

International Nuclear Information System (INIS)

McCurdy, C William; MartIn, Fernando

2004-01-01

B-spline methods are now well established as widely applicable tools for the evaluation of atomic and molecular continuum states. The mathematical technique of exterior complex scaling has been shown, in a variety of other implementations, to be a powerful method with which to solve atomic and molecular scattering problems, because it allows the correct imposition of continuum boundary conditions without their explicit analytic application. In this paper, an implementation of exterior complex scaling in B-splines is described that can bring the well-developed technology of B-splines to bear on new problems, including multiple ionization and breakup problems, in a straightforward way. The approach is demonstrated for examples involving the continuum motion of nuclei in diatomic molecules as well as electronic continua. For problems involving electrons, a method based on Poisson's equation is presented for computing two-electron integrals over B-splines under exterior complex scaling
DETERMINING BERYLLIUM IN DRINKING WATER BY GRAPHITE FURNACE ATOMIC ABSORPTION SPECTROSCOPY

Science.gov (United States)

A direct graphite furnace atomic absorption spectroscopy method for the analysis of beryllium in drinking water has been derived from a method for determining beryllium in urine. Ammonium phosphomolybdate and ascorbic acid were employed as matrix modifiers. The matrix modifiers s...
Visualisation and orbital-free parametrisation of the large-Z scaling of the kinetic energy density of atoms

Science.gov (United States)

Cancio, Antonio C.; Redd, Jeremy J.

2017-03-01

The scaling of neutral atoms to large Z, combining periodicity with a gradual trend to homogeneity, is a fundamental probe of density functional theory, one that has driven recent advances in understanding both the kinetic and exchange-correlation energies. Although research focus is normally upon the scaling of integrated energies, insights can also be gained from energy densities. We visualise the scaling of the positive-definite kinetic energy density (KED) in closed-shell atoms, in comparison to invariant quantities based upon the gradient and Laplacian of the density. We notice a striking fit of the KED within the core of any atom to a gradient expansion using both the gradient and the Laplacian, appearing as an asymptotic limit around which the KED oscillates. The gradient expansion is qualitatively different from that derived from first principles for a slowly varying electron gas and is correlated with a nonzero Pauli contribution to the KED near the nucleus. We propose and explore orbital-free meta-GGA models for the kinetic energy to describe these features, with some success, but the effects of quantum oscillations in the inner shells of atoms make a complete parametrisation difficult. We discuss implications for improved orbital-free description of molecular properties.
Condensing and water supplying systems in an atomic power plant

International Nuclear Information System (INIS)

Shinmura, Akira.

1975-01-01

Object: To reduce heat loss and eliminate accumulation of drain in water supplying and heating units in an atomic power plant by providing a direct contact type drain cooler between a gland-exhauster vapor condenser and a condensing and de-salting means, the drain from each water supplying and heating unit being collected in said cooler for heating the condensed water. Structure: Condensed water from a condenser is fed by a low pressure condensing pump through an air ejector and gland-exhauster vapor condenser to the direct-contact type drain cooler and is condensed in each water supply heater. Next, it is heated by drain fed through a drain level adjuster valve and an orifice and then forced by a medium pressure condenser pump into the condensing and de-salting means. It is then supplied by a high pressure condensing pump into the successive water supply heater. (Kamimura, M.)
Phase Behavior of a Phospholipid/Fatty Acid/Water Mixture Studied in Atomic Detail

NARCIS (Netherlands)

Knecht, Volker; Mark, Alan E.; Marrink, Siewert-Jan

2006-01-01

Molecular dynamics simulations have been used to study the phase behavior of a dipalmitoylphosphatidylcholine (DPPC)/palmitic acid (PA)/water 1:2:20 mixture in atomic detail. Starting from a random solution of DPPC and PA in water, the system adopts either a gel phase at temperatures below similar
Introduction of Flame Atomic Absorption Spectrometry (FAAS) For River Water Samples Analysis

International Nuclear Information System (INIS)

Shakirah Abd Shukor; Mohd Suhaimi Hamzah; Shamsiah Abdul Rahman

2015-01-01

Metal contamination in water is a major component in the determination of water quality monitoring. In spite of the viability of several other metal ion analysis techniques for river water, atomic absorption spectroscopy (AAS) method is most commonly used due to the reproducibility results, short analysis time, cost effective, lower level detection and robust. Therefore, this article gives an overview on the principles, instrumentation techniques, sample preparations, instrument calibration and data analysis in a simple manner for beginner. (author)
The l-mixing cross section of Rydberg states of atomic Rb and the scaling LAW

International Nuclear Information System (INIS)

Liu Hong; Chen Aiqiu; Li Baiwen

1991-01-01

On the basis of impulse approximate method, a kind of analytical wavefunctions based on a potential model was used to calculate the l mixing cross section of thermal collision of Rydberg states of atomic Rb with rare gas (He, Ne). The results were compared with the experimental results and other theoretical values. These results show that there exists a kind of scaling law for the l mixing cross section of Rydberg alkali atoms
Quantifying the Hierarchical Order in Self-Aligned Carbon Nanotubes from Atomic to Micrometer Scale.

Science.gov (United States)

Meshot, Eric R; Zwissler, Darwin W; Bui, Ngoc; Kuykendall, Tevye R; Wang, Cheng; Hexemer, Alexander; Wu, Kuang Jen J; Fornasiero, Francesco

2017-06-27

Fundamental understanding of structure-property relationships in hierarchically organized nanostructures is crucial for the development of new functionality, yet quantifying structure across multiple length scales is challenging. In this work, we used nondestructive X-ray scattering to quantitatively map the multiscale structure of hierarchically self-organized carbon nanotube (CNT) "forests" across 4 orders of magnitude in length scale, from 2.0 Å to 1.5 μm. Fully resolved structural features include the graphitic honeycomb lattice and interlayer walls (atomic), CNT diameter (nano), as well as the greater CNT ensemble (meso) and large corrugations (micro). Correlating orientational order across hierarchical levels revealed a cascading decrease as we probed finer structural feature sizes with enhanced sensitivity to small-scale disorder. Furthermore, we established qualitative relationships for single-, few-, and multiwall CNT forest characteristics, showing that multiscale orientational order is directly correlated with number density spanning 10 9 -10 12 cm -2 , yet order is inversely proportional to CNT diameter, number of walls, and atomic defects. Lastly, we captured and quantified ultralow-q meridional scattering features and built a phenomenological model of the large-scale CNT forest morphology, which predicted and confirmed that these features arise due to microscale corrugations along the vertical forest direction. Providing detailed structural information at multiple length scales is important for design and synthesis of CNT materials as well as other hierarchically organized nanostructures.

Quantitative characterization of the atomic-scale structure of oxyhydroxides in rusts formed on steel surfaces

International Nuclear Information System (INIS)

Saito, M.; Suzuki, S.; Kimura, M.; Suzuki, T.; Kihira, H.; Waseda, Y.

2005-01-01

Quantitative X-ray structural analysis coupled with anomalous X-ray scattering has been used for characterizing the atomic-scale structure of rust formed on steel surfaces. Samples were prepared from rust layers formed on the surfaces of two commercial steels. X-ray scattered intensity profiles of the two samples showed that the rusts consisted mainly of two types of ferric oxyhydroxide, α-FeOOH and γ-FeOOH. The amounts of these rust components and the realistic atomic arrangements in the components were estimated by fitting both the ordinary and the environmental interference functions with a model structure calculated using the reverse Monte Carlo simulation technique. The two rust components were found to be the network structure formed by FeO 6 octahedral units, the network structure itself deviating from the ideal case. The present results also suggest that the structural analysis method using anomalous X-ray scattering and the reverse Monte Carlo technique is very successful in determining the atomic-scale structure of rusts formed on the steel surfaces
Atomic and molecular manipulation

CERN Document Server

Mayne, Andrew J

2011-01-01

Work with individual atoms and molecules aims to demonstrate that miniaturized electronic, optical, magnetic, and mechanical devices can operate ultimately even at the level of a single atom or molecule. As such, atomic and molecular manipulation has played an emblematic role in the development of the field of nanoscience. New methods based on the use of the scanning tunnelling microscope (STM) have been developed to characterize and manipulate all the degrees of freedom of individual atoms and molecules with an unprecedented precision. In the meantime, new concepts have emerged to design molecules and substrates having specific optical, mechanical and electronic functions, thus opening the way to the fabrication of real nano-machines. Manipulation of individual atoms and molecules has also opened up completely new areas of research and knowledge, raising fundamental questions of "Optics at the atomic scale", "Mechanics at the atomic scale", Electronics at the atomic scale", "Quantum physics at the atomic sca...
Dissolution Processes at Step Edges of Calcite in Water Investigated by High-Speed Frequency Modulation Atomic Force Microscopy and Simulation.

Science.gov (United States)

Miyata, Kazuki; Tracey, John; Miyazawa, Keisuke; Haapasilta, Ville; Spijker, Peter; Kawagoe, Yuta; Foster, Adam S; Tsukamoto, Katsuo; Fukuma, Takeshi

2017-07-12

The microscopic understanding of the crystal growth and dissolution processes have been greatly advanced by the direct imaging of nanoscale step flows by atomic force microscopy (AFM), optical interferometry, and X-ray microscopy. However, one of the most fundamental events that govern their kinetics, namely, atomistic events at the step edges, have not been well understood. In this study, we have developed high-speed frequency modulation AFM (FM-AFM) and enabled true atomic-resolution imaging in liquid at ∼1 s/frame, which is ∼50 times faster than the conventional FM-AFM. With the developed AFM, we have directly imaged subnanometer-scale surface structures around the moving step edges of calcite during its dissolution in water. The obtained images reveal that the transition region with typical width of a few nanometers is formed along the step edges. Building upon insight in previous studies, our simulations suggest that the transition region is most likely to be a Ca(OH) 2 monolayer formed as an intermediate state in the dissolution process. On the basis of this finding, we improve our understanding of the atomistic dissolution model of calcite in water. These results open up a wide range of future applications of the high-speed FM-AFM to the studies on various dynamic processes at solid-liquid interfaces with true atomic resolution.
Structure and transport at grain boundaries in polycrystalline olivine: An atomic-scale perspective

Science.gov (United States)

Mantisi, Boris; Sator, Nicolas; Guillot, Bertrand

2017-12-01

Structure and transport properties at grain boundaries in polycrystalline olivine have been investigated at the atomic scale by molecular dynamics simulation (MD) using an empirical ionocovalent interaction potential. On the time scale of the simulation (a few tens of nanoseconds for a system size of ∼650,000 atoms) grain boundaries and grain interior were identified by mapping the atomic displacements along the simulation run. In the investigated temperature range (1300-1700 K) the mean thickness of the grain boundary phase is evaluated between 0.5 and 2 nm, a value which depends on temperature and grain size. The structure of the grain boundary phase is found to be disordered (amorphous-like) and is different from the one exhibited by the supercooled liquid. The self-diffusion coefficients of major elements in the intergranular region range from ∼10-13 to 10-10 m2/s between 1300 and 1700 K (with DSigb Kubo relation expressing the viscosity as function of the stress tensor time correlation function. In spite of a slow convergence of the calculation by MD, the grain boundary viscosity was estimated about ∼105 Pa s at 1500 K, a value in agreement with high-temperature viscoelastic relaxation data. An interesting information gained from MD is that sliding at grain boundaries is essentially controlled by the internal friction between the intergranular phase and the grain edges.
Atomic-scale structures of interfaces between phyllosilicate edges and water

NARCIS (Netherlands)

Liu, X.; Lu, X.; Meijer, E.J.; Wang, R.; Zhou, H.

2012-01-01

We report first-principles molecular dynamics (FPMD) studies on the structures of interfaces between phyllosilicate edges and water. Using FPMD, the substrates and solvents are simulated at the same first-principles level, and the thermal motions are sampled via molecular dynamics. Both the neutral
Mechanical deformation of atomic-scale metallic contacts: Structure and mechanisms

DEFF Research Database (Denmark)

Sørensen, Mads Reinholdt; Brandbyge, Mads; Jacobsen, Karsten Wedel

1998-01-01

We have simulated the mechanical deformation of atomic-scale metallic contacts under tensile strain using molecular dynamics and effective medium theory potentials. The evolution of the structure of the contacts and the underlying deformation mechanisms are described along with the calculated......, but vacancies can be permanently present. The transition states and energies for slip mechanisms have been determined using the nudged elastic band method, and we find a size-dependent crossover from a dislocation-mediated slip to a homogeneous slip when the contact diameter becomes less than a few nm. We show...
Investigation of the Extinguishing Features for Liquid Fuels and Organic Flammable Liquids Atomized by a Water Flow

Directory of Open Access Journals (Sweden)

Voytkov Ivan V.

2016-01-01

Full Text Available The processes of heat and mass transfer were investigated experimentally while moving and evaporating the atomized water flow in high-temperature combustion products of typical liquid fuels and organic flammable liquids: gasoline, kerosene, acetone, crude oil, industrial alcohol. We determined typical periods of liquid extinguishing by an atomized water flow of various dispersability. Data of the discharge of extinguishing medium corresponding to various parameters of atomization and duration of using the atomization devices was presented. It is shown that Um≈3.5 m/s is a minimal outflow velocity of droplets during moving while passing the distance of 1m in the high-temperature gas medium to stop the combustion of organic liquids.
LDL Receptors as Gateways for Intracellular Porphyrin Uptake

International Nuclear Information System (INIS)

Novick, S.; Laster, B.; Quastel, M.

2004-01-01

Boronated compounds are currently being studied for possible use in Boron Neutron Capture Therapy (BNCT). We found that one of these agents, BOPP (tetrakis-carborane-carboxylate, esters of 2,4-bis (a,b- dihydroxyethyl) deuteroporphyrin IX), could also be labeled with indium (In-BOPP) and, therefore, could also be used potentially to transport high Z atoms into tumor cell DNA for AET (Auger Electron Therapy). In order to assess the uptake of these agents into cells, the role of the LDL receptor in the intracellular accumulation of BOPP and In-BOPP was investigated. Pre-incubation of V-79 Chinese hamster cells in medium containing delipidized fetal bovine serum (FBS) markedly increased the subsequent uptake of intracellular boron transported by both BOPP and In-BOPP when compared with cells that had been pre-incubated with medium containing 10% normal FBS (lipidized). The increased uptake was characterized by elevated levels of receptor, and greater affinity was shown for both BOPP and In-BOPP, although less marked with the latter. Positive cooperativity was demonstrated by sigmoid saturation curves, Scatchard analysis and Hill plots. Increasing the amount of LDL in the incubation medium had a relatively small effect on the total accumulation of either indium or boron atoms inside the cell. Furthermore, chemical acetylation of LDL did not decrease the intracellular uptake of either boron or indium transported by BOPP or In-BOPP. It is thus concluded that BOPP and In-BOPP preferentially enter the cells directly by way of the LDL receptor and that only a small fraction of these molecules are transported into the cells indirectly using serum LDLs as their carriers. These data suggest a novel way of bringing greater amounts of boron and indium (and perhaps other agents) into tissues. Porphyrins can be used to transport different agents into tumor cells because they are tumor affinic molecules. Tumors express a higher number of LDL receptors than do most normal tissues
Role of cardiolipins in the inner mitochondrial membrane: insight gained through atom-scale simulations

DEFF Research Database (Denmark)

Róg, Tomasz; Martinez-Seara, Hector; Munck, Nana

2009-01-01

, the exceptional nature of cardiolipins is characterized by their small charged head group connected to typically four hydrocarbon chains. In this work, we present atomic-scale molecular dynamics simulations of the inner mitochondrial membrane modeled as a mixture of cardiolipins (CLs), phosphatidylcholines (PCs...
Exploring Anti-Bacterial Compounds against Intracellular Legionella

Science.gov (United States)

Harrison, Christopher F.; Kicka, Sébastien; Trofimov, Valentin; Berschl, Kathrin; Ouertatani-Sakouhi, Hajer; Ackermann, Nikolaus; Hedberg, Christian; Cosson, Pierre; Soldati, Thierry; Hilbi, Hubert

2013-01-01

Legionella pneumophila is a ubiquitous fresh-water bacterium which reproduces within its erstwhile predators, environmental amoeba, by subverting the normal pathway of phagocytosis and degradation. The molecular mechanisms which confer resistance to amoeba are apparently conserved and also allow replication within macrophages. Thus, L. pneumophila can act as an ‘accidental’ human pathogen and cause a severe pneumonia known as Legionnaires’ disease. The intracellular localisation of L. pneumophila protects it from some antibiotics, and this fact must be taken into account to develop new anti-bacterial compounds. In addition, the intracellular lifestyle of L. pneumophila may render the bacteria susceptible to compounds diminishing bacterial virulence and decreasing intracellular survival and replication of this pathogen. The development of a single infection cycle intracellular replication assay using GFP-producing L. pneumophila and Acanthamoeba castellanii amoeba is reported here. This fluorescence-based assay allows for continuous monitoring of intracellular replication rates, revealing the effect of bacterial gene deletions or drug treatment. To examine how perturbations of the host cell affect L. pneumophila replication, several known host-targeting compounds were tested, including modulators of cytoskeletal dynamics, vesicle scission and Ras GTPase localisation. Our results reveal a hitherto unrealized potential antibiotic property of the β-lactone-based Ras depalmitoylation inhibitor palmostatin M, but not the closely related inhibitor palmostatin B. Further characterisation indicated that this compound caused specific growth inhibition of Legionella and Mycobacterium species, suggesting that it may act on a common bacterial target. PMID:24058631
Exploring anti-bacterial compounds against intracellular Legionella.

Directory of Open Access Journals (Sweden)

Christopher F Harrison

Full Text Available Legionella pneumophila is a ubiquitous fresh-water bacterium which reproduces within its erstwhile predators, environmental amoeba, by subverting the normal pathway of phagocytosis and degradation. The molecular mechanisms which confer resistance to amoeba are apparently conserved and also allow replication within macrophages. Thus, L. pneumophila can act as an 'accidental' human pathogen and cause a severe pneumonia known as Legionnaires' disease. The intracellular localisation of L. pneumophila protects it from some antibiotics, and this fact must be taken into account to develop new anti-bacterial compounds. In addition, the intracellular lifestyle of L. pneumophila may render the bacteria susceptible to compounds diminishing bacterial virulence and decreasing intracellular survival and replication of this pathogen. The development of a single infection cycle intracellular replication assay using GFP-producing L. pneumophila and Acanthamoebacastellanii amoeba is reported here. This fluorescence-based assay allows for continuous monitoring of intracellular replication rates, revealing the effect of bacterial gene deletions or drug treatment. To examine how perturbations of the host cell affect L. pneumophila replication, several known host-targeting compounds were tested, including modulators of cytoskeletal dynamics, vesicle scission and Ras GTPase localisation. Our results reveal a hitherto unrealized potential antibiotic property of the β-lactone-based Ras depalmitoylation inhibitor palmostatin M, but not the closely related inhibitor palmostatin B. Further characterisation indicated that this compound caused specific growth inhibition of Legionella and Mycobacterium species, suggesting that it may act on a common bacterial target.
Pilot-scale cooling tower to evaluate corrosion, scaling, and biofouling control strategies for cooling system makeup water.

Science.gov (United States)

Chien, S H; Hsieh, M K; Li, H; Monnell, J; Dzombak, D; Vidic, R

2012-02-01

Pilot-scale cooling towers can be used to evaluate corrosion, scaling, and biofouling control strategies when using particular cooling system makeup water and particular operating conditions. To study the potential for using a number of different impaired waters as makeup water, a pilot-scale system capable of generating 27,000 kJ∕h heat load and maintaining recirculating water flow with a Reynolds number of 1.92 × 10(4) was designed to study these critical processes under conditions that are similar to full-scale systems. The pilot-scale cooling tower was equipped with an automatic makeup water control system, automatic blowdown control system, semi-automatic biocide feeding system, and corrosion, scaling, and biofouling monitoring systems. Observed operational data revealed that the major operating parameters, including temperature change (6.6 °C), cycles of concentration (N = 4.6), water flow velocity (0.66 m∕s), and air mass velocity (3660 kg∕h m(2)), were controlled quite well for an extended period of time (up to 2 months). Overall, the performance of the pilot-scale cooling towers using treated municipal wastewater was shown to be suitable to study critical processes (corrosion, scaling, biofouling) and evaluate cooling water management strategies for makeup waters of complex quality.
Implementation of highly parallel and large scale GW calculations within the OpenAtom software

Science.gov (United States)

Ismail-Beigi, Sohrab

The need to describe electronic excitations with better accuracy than provided by band structures produced by Density Functional Theory (DFT) has been a long-term enterprise for the computational condensed matter and materials theory communities. In some cases, appropriate theoretical frameworks have existed for some time but have been difficult to apply widely due to computational cost. For example, the GW approximation incorporates a great deal of important non-local and dynamical electronic interaction effects but has been too computationally expensive for routine use in large materials simulations. OpenAtom is an open source massively parallel ab initiodensity functional software package based on plane waves and pseudopotentials (http://charm.cs.uiuc.edu/OpenAtom/) that takes advantage of the Charm + + parallel framework. At present, it is developed via a three-way collaboration, funded by an NSF SI2-SSI grant (ACI-1339804), between Yale (Ismail-Beigi), IBM T. J. Watson (Glenn Martyna) and the University of Illinois at Urbana Champaign (Laxmikant Kale). We will describe the project and our current approach towards implementing large scale GW calculations with OpenAtom. Potential applications of large scale parallel GW software for problems involving electronic excitations in semiconductor and/or metal oxide systems will be also be pointed out.
Quantitative atomic resolution elemental mapping via absolute-scale energy dispersive X-ray spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Chen, Z. [School of Physics and Astronomy, Monash University, Clayton, Victoria 3800 (Australia); Weyland, M. [Monash Centre for Electron Microscopy, Monash University, Clayton, Victoria 3800 (Australia); Department of Materials Science and Engineering, Monash University, Clayton, Victoria 3800 (Australia); Sang, X.; Xu, W.; Dycus, J.H.; LeBeau, J.M. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695 (United States); D' Alfonso, A.J.; Allen, L.J. [School of Physics, University of Melbourne, Parkville, Victoria 3010 (Australia); Findlay, S.D., E-mail: scott.findlay@monash.edu [School of Physics and Astronomy, Monash University, Clayton, Victoria 3800 (Australia)

2016-09-15

Quantitative agreement on an absolute scale is demonstrated between experiment and simulation for two-dimensional, atomic-resolution elemental mapping via energy dispersive X-ray spectroscopy. This requires all experimental parameters to be carefully characterized. The agreement is good, but some discrepancies remain. The most likely contributing factors are identified and discussed. Previous predictions that increasing the probe forming aperture helps to suppress the channelling enhancement in the average signal are confirmed experimentally. It is emphasized that simple column-by-column analysis requires a choice of sample thickness that compromises between being thick enough to yield a good signal-to-noise ratio while being thin enough that the overwhelming majority of the EDX signal derives from the column on which the probe is placed, despite strong electron scattering effects. - Highlights: • Absolute scale quantification of 2D atomic-resolution EDX maps is demonstrated. • Factors contributing to remaining small quantitative discrepancies are identified. • Experiment confirms large probe-forming apertures suppress channelling enhancement. • The thickness range suitable for reliable column-by-column analysis is discussed.
Towards the atomic-scale characterization of isolated iron sites confined in a nitrogen-doped graphene matrix

Energy Technology Data Exchange (ETDEWEB)

Liu, Qingfei; Liu, Yun; Li, Haobo [State Key Laboratory of Catalysis, CAS Center for Excellence in Nanoscience, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023 (China); University of Chinese Academy of Sciences, Beijing, 100039 (China); Li, Lulu [College of Chemistry, Faculty of Chemical, Environmental and Biological Science and Technology, Dalian University of Technology, Dalian, 116023 (China); Deng, Dehui [State Key Laboratory of Catalysis, CAS Center for Excellence in Nanoscience, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023 (China); Yang, Fan, E-mail: fyang@dicp.ac.cn [State Key Laboratory of Catalysis, CAS Center for Excellence in Nanoscience, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023 (China); Bao, Xinhe, E-mail: xhbao@dicp.ac.cn [State Key Laboratory of Catalysis, CAS Center for Excellence in Nanoscience, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023 (China)

2017-07-15

Highlights: • Local atomic and electronic structure of the Fe-N-C catalyst characterized by STM and STS. • The combination of air-AFM, UHV-STM and DFT calculations for the characterization of powder catalysts. • The selection of solvent is vital to the homogeneous dispersion of powder catalyst on a planar support. - Abstract: Atomic scale characterization of the surface structure of powder catalysts is essential to the identification of active sites, but remains a major challenge in catalysis research. We described here a procedure that combines atomic force microscopy (AFM), operated in air, and scanning tunneling microscopy (STM), operated in UHV, to obtain the atomic structure and local electronic properties of powder catalysts. The atomically dispersed Fe-N-C catalyst was used as an example, which was synthesized by low temperature ball milling methods. We discussed the effect of solvents in the dispersion of powder catalysts on a planar support, which is key to the subsequent atomic characterization. From the morphology, atomic structure and local electronic properties of the Fe-N-C catalyst, our combined measurements also provide an insight for the effect of ball milling in the preparation of atomically dispersed metal catalysts.
EON: software for long time simulations of atomic scale systems

Science.gov (United States)

Chill, Samuel T.; Welborn, Matthew; Terrell, Rye; Zhang, Liang; Berthet, Jean-Claude; Pedersen, Andreas; Jónsson, Hannes; Henkelman, Graeme

2014-07-01

The EON software is designed for simulations of the state-to-state evolution of atomic scale systems over timescales greatly exceeding that of direct classical dynamics. States are defined as collections of atomic configurations from which a minimization of the potential energy gives the same inherent structure. The time evolution is assumed to be governed by rare events, where transitions between states are uncorrelated and infrequent compared with the timescale of atomic vibrations. Several methods for calculating the state-to-state evolution have been implemented in EON, including parallel replica dynamics, hyperdynamics and adaptive kinetic Monte Carlo. Global optimization methods, including simulated annealing, basin hopping and minima hopping are also implemented. The software has a client/server architecture where the computationally intensive evaluations of the interatomic interactions are calculated on the client-side and the state-to-state evolution is managed by the server. The client supports optimization for different computer architectures to maximize computational efficiency. The server is written in Python so that developers have access to the high-level functionality without delving into the computationally intensive components. Communication between the server and clients is abstracted so that calculations can be deployed on a single machine, clusters using a queuing system, large parallel computers using a message passing interface, or within a distributed computing environment. A generic interface to the evaluation of the interatomic interactions is defined so that empirical potentials, such as in LAMMPS, and density functional theory as implemented in VASP and GPAW can be used interchangeably. Examples are given to demonstrate the range of systems that can be modeled, including surface diffusion and island ripening of adsorbed atoms on metal surfaces, molecular diffusion on the surface of ice and global structural optimization of nanoparticles.
Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys

International Nuclear Information System (INIS)

Tamm, Artur; Aabloo, Alvo; Klintenberg, Mattias; Stocks, Malcolm; Caro, Alfredo

2015-01-01

The aim of this study is to characterize some atomic-scale properties of Ni-based FCC multicomponent alloys. For this purpose, we use Monte Carlo method combined with density functional theory calculations to study short-range order (SRO), atomic displacements, electronic density of states, and magnetic moments in equimolar ternary NiCrCo, and quaternary NiCrCoFe alloys. According to our study, the salient features for the ternary alloy are a negative SRO parameter between Ni–Cr and a positive between Cr–Cr pairs as well as a weakly magnetic state. For the quaternary alloy we predict negative SRO parameter for Ni–Cr and Ni–Fe pairs and positive for Cr–Cr and Fe–Fe pairs. Atomic displacements for both ternary and quaternary alloys are negligible. In contrast to the ternary, the quaternary alloy shows a complex magnetic structure. The electronic structure of the ternary and quaternary alloys shows differences near the Fermi energy between a random solid solution and the predicted structure with SRO. Despite that, the calculated EXAFS spectra does not show enough contrast to discriminate between random and ordered structures. The predicted SRO has an impact on point-defect energetics, electron–phonon coupling and thermodynamic functions and thus, SRO should not be neglected when studying properties of these two alloys
Optimizing Nanoelectrode Arrays for Scalable Intracellular Electrophysiology.

Science.gov (United States)

Abbott, Jeffrey; Ye, Tianyang; Ham, Donhee; Park, Hongkun

2018-03-20

Electrode technology for electrophysiology has a long history of innovation, with some decisive steps including the development of the voltage-clamp measurement technique by Hodgkin and Huxley in the 1940s and the invention of the patch clamp electrode by Neher and Sakmann in the 1970s. The high-precision intracellular recording enabled by the patch clamp electrode has since been a gold standard in studying the fundamental cellular processes underlying the electrical activities of neurons and other excitable cells. One logical next step would then be to parallelize these intracellular electrodes, since simultaneous intracellular recording from a large number of cells will benefit the study of complex neuronal networks and will increase the throughput of electrophysiological screening from basic neurobiology laboratories to the pharmaceutical industry. Patch clamp electrodes, however, are not built for parallelization; as for now, only ∼10 patch measurements in parallel are possible. It has long been envisioned that nanoscale electrodes may help meet this challenge. First, nanoscale electrodes were shown to enable intracellular access. Second, because their size scale is within the normal reach of the standard top-down fabrication, the nanoelectrodes can be scaled into a large array for parallelization. Third, such a nanoelectrode array can be monolithically integrated with complementary metal-oxide semiconductor (CMOS) electronics to facilitate the large array operation and the recording of the signals from a massive number of cells. These are some of the central ideas that have motivated the research activity into nanoelectrode electrophysiology, and these past years have seen fruitful developments. This Account aims to synthesize these findings so as to provide a useful reference. Summing up from the recent studies, we will first elucidate the morphology and associated electrical properties of the interface between a nanoelectrode and a cellular membrane
General Atomic Reprocessing Pilot Plant: engineering-scale dissolution system description

International Nuclear Information System (INIS)

Yip, H.H.

1979-04-01

In February 1978, a dissolver-centrifuge system was added to the cold reprocessing pilot plant at General Atomic Company, which completed the installation of an HTGR fuel head-end reprocessing pilot plant. This report describes the engineering-scale equipment in the pilot plant and summarizes the design features derived from development work performed in the last few years. The dissolver operating cycles for both thorium containing BISO and uranium containinng WAR fissile fuels are included. A continuous vertical centrifuge is used to clarify the resultant dissolver product solution. Process instrumentation and controls for the system reflect design philosophy suitable for remote operation
The spatial distribution of pollutants in pipe-scale of large-diameter pipelines in a drinking water distribution system.

Science.gov (United States)

Liu, Jingqing; Chen, Huanyu; Yao, Lingdan; Wei, Zongyuan; Lou, Liping; Shan, Yonggui; Endalkachew, Sahle-Demessie; Mallikarjuna, Nadagouda; Hu, Baolan; Zhou, Xiaoyan

2016-11-05

In large-diameter drinking water pipelines, spatial differences in hydraulic and physiochemical conditions may also result in spatial variations in pipe corrosion, biofilm growth and pollutant accumulation. In this article, the spatial distributions of various metals and organic contaminants in two 19-year-old grey cast iron pipes which had an internal diameter of 600mm (DN600), were investigated and analyzed by Atomic Absorption Spectrometry, Gas Chromatography-Mass Spectrometry, Energy Dispersive Spectrometer, X-ray Diffraction, etc. The spatial distribution of heavy metals varied significantly across the pipe section, and iron, manganese, lead, copper, and chromium were highest in concentration in the upper portion pipe-scales. However, the highest aluminum and zinc content was detected in the lower portion pipe-scales. Apart from some common types of hydrocarbons formed by microbial metabolites, there were also some microalgae metabolites and exogenous contaminants accumulated in pipe-scale, which also exhibited high diversity between different spatial locations. The spatial distributions of the physical and chemical properties of pipe-scale and contaminants were quite different in large-diameter pipes. The finding put forward higher requirements on the research method about drinking water distribution system chemical safety. And the scientific community need understand trend and dynamics of drinking water pipe systems better. Copyright © 2016 Elsevier B.V. All rights reserved.

Atom-scale molecular interactions in lipid raft mixtures

DEFF Research Database (Denmark)

Niemelä, Perttu S; Hyvönen, Marja T; Vattulainen, Ilpo

2009-01-01

We review the relationship between molecular interactions and the properties of lipid environments. A specific focus is given on bilayers which contain sphingomyelin (SM) and sterols due to their essential role for the formation of lipid rafts. The discussion is based on recent atom-scale molecular...... dynamics simulations, complemented by extensive comparison to experimental data. The discussion is divided into four sections. The first part investigates the properties of one-component SM bilayers and compares them to bilayers with phosphatidylcholine (PC), the focus being on a detailed analysis...... examples of this issue. The third part concentrates on the specificity of intermolecular interactions in three-component mixtures of SM, PC and cholesterol (CHOL) under conditions where the concentrations of SM and CHOL are dilute with respect to that of PC. The results show how SM and CHOL favor one...
Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation

International Nuclear Information System (INIS)

Schurkus, Henry F.; Ochsenfeld, Christian

2016-01-01

An atomic-orbital (AO) reformulation of the random-phase approximation (RPA) correlation energy is presented allowing to reduce the steep computational scaling to linear, so that large systems can be studied on simple desktop computers with fully numerically controlled accuracy. Our AO-RPA formulation introduces a contracted double-Laplace transform and employs the overlap-metric resolution-of-the-identity. First timings of our pilot code illustrate the reduced scaling with systems comprising up to 1262 atoms and 10 090 basis functions.
Analysis of Carbon Nanotubes on the Mechanical Properties at Atomic Scale

Directory of Open Access Journals (Sweden)

Xiaowen Lei

2011-01-01

Full Text Available This paper aims at developing a mathematic model to characterize the mechanical properties of single-walled carbon nanotubes (SWCNTs. The carbon-carbon (C–C bonds between two adjacent atoms are modeled as Euler beams. According to the relationship of Tersoff-Brenner force theory and potential energy acting on C–C bonds, material constants of beam element are determined at the atomic scale. Based on the elastic deformation energy and mechanical equilibrium of a unit in graphite sheet, simply form ED equations of calculating Young's modulus of armchair and zigzag graphite sheets are derived. Following with the geometrical relationship of SWCNTs in cylindrical coordinates and the structure mechanics approach, Young's modulus and Poisson's ratio of armchair and zigzag SWCNTs are also investigated. The results show that the approach to research mechanical properties of SWCNTs is a concise and valid method. We consider that it will be useful technique to progress on this type of investigation.
Atomic scale study of the chemistry of oxygen, hydrogen and water at SiC surfaces

International Nuclear Information System (INIS)

Amy, Fabrice

2007-01-01

Understanding the achievable degree of homogeneity and the effect of surface structure on semiconductor surface chemistry is both academically challenging and of great practical interest to enable fabrication of future generations of devices. In that respect, silicon terminated SiC surfaces such as the cubic 3C-SiC(1 0 0) 3 x 2 and the hexagonal 6H-SiC(0 0 0 1) 3 x 3 are of special interest since they give a unique opportunity to investigate the role of surface morphology on oxygen or hydrogen incorporation into the surface. In contrast to silicon, the subsurface structure plays a major role in the reactivity, leading to unexpected consequences such as the initial oxidation starting several atomic planes below the top surface or the surface metallization by atomic hydrogen. (review article)
Atomic-scale simulation of dust grain collisions: Surface chemistry and dissipation beyond existing theory

Science.gov (United States)

Quadery, Abrar H.; Doan, Baochi D.; Tucker, William C.; Dove, Adrienne R.; Schelling, Patrick K.

2017-10-01

The early stages of planet formation involve steps where submicron-sized dust particles collide to form aggregates. However, the mechanism through which millimeter-sized particles aggregate to kilometer-sized planetesimals is still not understood. Dust grain collision experiments carried out in the environment of the Earth lead to the prediction of a 'bouncing barrier' at millimeter-sizes. Theoretical models, e.g., Johnson-Kendall-Roberts and Derjaguin-Muller-Toporov theories, lack two key features, namely the chemistry of dust grain surfaces, and a mechanism for atomic-scale dissipation of energy. Moreover, interaction strengths in these models are parameterized based on experiments done in the Earth's environment. To address these issues, we performed atomic-scale simulations of collisions between nonhydroxylated and hydroxylated amorphous silica nanoparticles. We used the ReaxFF approach which enables modeling chemical reactions using an empirical potential. We found that nonhydroxylated nanograins tend to adhere with much higher probability than suggested by existing theories. By contrast, hydroxylated nanograins exhibit a strong tendency to bounce. Also, the interaction between dust grains has the characteristics of a strong chemical force instead of weak van der Waals forces. This suggests that the formation of strong chemical bonds and dissipation via internal atomic vibration may result in aggregation beyond what is expected based on our current understanding. Our results also indicate that experiments should more carefully consider surface conditions to mimic the space environment. We also report results of simulations with molten silica nanoparticles. It is found that molten particles are more likely to adhere due to viscous dissipation, which supports theories that suggest aggregation to kilometer scales might require grains to be in a molten state.
STM studies of an atomic-scale gate electrode formed by a single charged vacancy in GaAs

Science.gov (United States)

Lee, Donghun; Daughton, David; Gupta, Jay

2009-03-01

Electric-field control of spin-spin interactions at the atomic level is desirable for the realization of spintronics and spin-based quantum computation. Here we demonstrate the realization of an atomic-scale gate electrode formed by a single charged vacancy on the GaAs(110) surface[1]. We can position these vacancies with atomic precision using the tip of a home-built, low temperature STM. Tunneling spectroscopy of single Mn acceptors is used to quantify the electrostatic field as a function of distance from the vacancy. Single Mn acceptors are formed by substituting Mn adatoms for Ga atoms in the first layer of the p-GaAs(110) surface[2]. Depending on the distance, the in-gap resonance of single Mn acceptors can shift as much as 200meV. Our data indicate that the electrostatic field decays according to a screened Coulomb potential. The charge state of the vacancy can be switched to neutral, as evidenced by the Mn resonance returning to its unperturbed position. Reversible control of the local electric field as well as charged states of defects in semiconductors can open new insights such as realizing an atomic-scale gate control and studying spin-spin interactions in semiconductors. http://www.physics.ohio-state.edu/sim jgupta [1] D. Lee and J.A. Gupta (in preparation) [2] D. Kitchen et al., Nature 442, 436-439 (2006)
Characteristics of soil water retention curve at macro-scale

Institute of Scientific and Technical Information of China (English)

无

2009-01-01

Scale adaptable hydrological models have attracted more and more attentions in the hydrological modeling research community, and the constitutive relationship at the macro-scale is one of the most important issues, upon which there are not enough research activities yet. Taking the constitutive relationships of soil water movement--soil water retention curve (SWRC) as an example, this study extends the definition of SWRC at the micro-scale to that at the macro-scale, and aided by Monte Carlo method we demonstrate that soil property and the spatial distribution of soil moisture will affect the features of SWRC greatly. Furthermore, we assume that the spatial distribution of soil moisture is the result of self-organization of climate, soil, ground water and soil water movement under the specific boundary conditions, and we also carry out numerical experiments of soil water movement at the vertical direction in order to explore the relationship between SWRC at the macro-scale and the combinations of climate, soil, and groundwater. The results show that SWRCs at the macro-scale and micro-scale presents totally different features, e.g., the essential hysteresis phenomenon which is exaggerated with increasing aridity index and rising groundwater table. Soil property plays an important role in the shape of SWRC which will even lead to a rectangular shape under drier conditions, and power function form of SWRC widely adopted in hydrological model might be revised for most situations at the macro-scale.
Evolution of atomic-scale surface structures during ion bombardment: A fractal simulation

International Nuclear Information System (INIS)

Shaheen, M.A.; Ruzic, D.N.

1993-01-01

Surfaces of interest in microelectronics have been shown to exhibit fractal topographies on the atomic scale. A model utilizing self-similar fractals to simulate surface roughness has been added to the ion bombardment code TRIM. The model has successfully predicted experimental sputtering yields of low energy (less then 1000 eV) Ar on Si and D on C using experimentally determined fractal dimensions. Under ion bombardment the fractal surface structures evolve as the atoms in the collision cascade are displaced or sputtered. These atoms have been tracked and the evolution of the surface in steps of one monolayer of flux has been determined. The Ar--Si system has been studied for incidence energies of 100 and 500 eV, and incidence angles of 0 degree, 30 degree, and 60 degree. As expected, normally incident ion bombardment tends to reduce the roughness of the surface, whereas large angle ion bombardment increases the degree of surface roughness. Of particular interest though, the surfaces are still locally self-similar fractals after ion bombardment and a steady state fractal dimension is reached, except at large angles of incidence
Atomic-scale origin of dynamic viscoelastic response and creep in disordered solids

Science.gov (United States)

Milkus, Rico; Zaccone, Alessio

2017-02-01

Viscoelasticity has been described since the time of Maxwell as an interpolation of purely viscous and purely elastic response, but its microscopic atomic-level mechanism in solids has remained elusive. We studied three model disordered solids: a random lattice, the bond-depleted fcc lattice, and the fcc lattice with vacancies. Within the harmonic approximation for central-force lattices, we applied sum rules for viscoelastic response derived on the basis of nonaffine atomic motions. The latter motions are a direct result of local structural disorder, and in particular, of the lack of inversion symmetry in disordered lattices. By defining a suitable quantitative and general atomic-level measure of nonaffinity and inversion symmetry, we show that the viscoelastic responses of all three systems collapse onto a master curve upon normalizing by the overall strength of inversion-symmetry breaking in each system. Close to the isostatic point for central-force lattices, power-law creep G (t ) ˜t-1 /2 emerges as a consequence of the interplay between soft vibrational modes and nonaffine dynamics, and various analytical scalings, supported by numerical calculations, are predicted by the theory.
Effect of deposition rate on melting point of copper film catalyst substrate at atomic scale

Science.gov (United States)

Marimpul, Rinaldo; Syuhada, Ibnu; Rosikhin, Ahmad; Winata, Toto

2018-03-01

Annealing process of copper film catalyst substrate was studied by molcular dynamics simulation. This copper film catalyst substrate was produced using thermal evaporation method. The annealing process was limited in nanosecond order to observe the mechanism at atomic scale. We found that deposition rate parameter affected the melting point of catalyst substrate. The change of crystalline structure of copper atoms was observed before it had been already at melting point. The optimum annealing temperature was obtained to get the highest percentage of fcc structure on copper film catalyst substrate.
Digging into Lipid Membrane Permeation for Cardiac Ion Channel Blocker d-Sotalol with All-Atom Simulations.

Science.gov (United States)

DeMarco, Kevin R; Bekker, Slava; Clancy, Colleen E; Noskov, Sergei Y; Vorobyov, Igor

2018-01-01

Interactions of drug molecules with lipid membranes play crucial role in their accessibility of cellular targets and can be an important predictor of their therapeutic and safety profiles. Very little is known about spatial localization of various drugs in the lipid bilayers, their active form (ionization state) or translocation rates and therefore potency to bind to different sites in membrane proteins. All-atom molecular simulations may help to map drug partitioning kinetics and thermodynamics, thus providing in-depth assessment of drug lipophilicity. As a proof of principle, we evaluated extensively lipid membrane partitioning of d-sotalol, well-known blocker of a cardiac potassium channel K v 11.1 encoded by the hERG gene, with reported substantial proclivity for arrhythmogenesis. We developed the positively charged (cationic) and neutral d-sotalol models, compatible with the biomolecular CHARMM force field, and subjected them to all-atom molecular dynamics (MD) simulations of drug partitioning through hydrated lipid membranes, aiming to elucidate thermodynamics and kinetics of their translocation and thus putative propensities for hydrophobic and aqueous hERG access. We found that only a neutral form of d-sotalol accumulates in the membrane interior and can move across the bilayer within millisecond time scale, and can be relevant to a lipophilic channel access. The computed water-membrane partitioning coefficient for this form is in good agreement with experiment. There is a large energetic barrier for a cationic form of the drug, dominant in water, to cross the membrane, resulting in slow membrane translocation kinetics. However, this form of the drug can be important for an aqueous access pathway through the intracellular gate of hERG. This route will likely occur after a neutral form of a drug crosses the membrane and subsequently re-protonates. Our study serves to demonstrate a first step toward a framework for multi-scale in silico safety pharmacology
Digging into Lipid Membrane Permeation for Cardiac Ion Channel Blocker d-Sotalol with All-Atom Simulations

Directory of Open Access Journals (Sweden)

Kevin R. DeMarco

2018-02-01

Full Text Available Interactions of drug molecules with lipid membranes play crucial role in their accessibility of cellular targets and can be an important predictor of their therapeutic and safety profiles. Very little is known about spatial localization of various drugs in the lipid bilayers, their active form (ionization state or translocation rates and therefore potency to bind to different sites in membrane proteins. All-atom molecular simulations may help to map drug partitioning kinetics and thermodynamics, thus providing in-depth assessment of drug lipophilicity. As a proof of principle, we evaluated extensively lipid membrane partitioning of d-sotalol, well-known blocker of a cardiac potassium channel Kv11.1 encoded by the hERG gene, with reported substantial proclivity for arrhythmogenesis. We developed the positively charged (cationic and neutral d-sotalol models, compatible with the biomolecular CHARMM force field, and subjected them to all-atom molecular dynamics (MD simulations of drug partitioning through hydrated lipid membranes, aiming to elucidate thermodynamics and kinetics of their translocation and thus putative propensities for hydrophobic and aqueous hERG access. We found that only a neutral form of d-sotalol accumulates in the membrane interior and can move across the bilayer within millisecond time scale, and can be relevant to a lipophilic channel access. The computed water-membrane partitioning coefficient for this form is in good agreement with experiment. There is a large energetic barrier for a cationic form of the drug, dominant in water, to cross the membrane, resulting in slow membrane translocation kinetics. However, this form of the drug can be important for an aqueous access pathway through the intracellular gate of hERG. This route will likely occur after a neutral form of a drug crosses the membrane and subsequently re-protonates. Our study serves to demonstrate a first step toward a framework for multi-scale in silico safety
Comparison of void strengthening in fcc and bcc metals: Large-scale atomic-level modelling

International Nuclear Information System (INIS)

Osetsky, Yu.N.; Bacon, D.J.

2005-01-01

Strengthening due to voids can be a significant radiation effect in metals. Treatment of this by elasticity theory of dislocations is difficult when atomic structure of the obstacle and dislocation is influential. In this paper, we report results of large-scale atomic-level modelling of edge dislocation-void interaction in fcc (copper) and bcc (iron) metals. Voids of up to 5 nm diameter were studied over the temperature range from 0 to 600 K. We demonstrate that atomistic modelling is able to reveal important effects, which are beyond the continuum approach. Some arise from features of the dislocation core and crystal structure, others involve dislocation climb and temperature effects
The softness of an atom in a molecule and a functional group softness definition; an LCAO scale

International Nuclear Information System (INIS)

Giambiagi, M.; Giambiagi, M.S. de; Pires, J.M.; Pitanga, P.

1987-01-01

We introduce a scale for the softness of an atom in different molecules and we similarly define a functional group softness. These definitions, unlike previous ones, are not tied to the finite difference approximation neither, hence, to valence state ionization potentials and electron affinities; they result from the LCAO calculation itself. We conclude that a) the softness of an atom in a molecule shows wide variations; b) the geometric average of the softnesses of the atoms in the molecule gives the most consistent results for the molecular softnesses; c) the functional group softness is transferable within a homologous series. (Author) [pt
The impact of pH inhomogeneities on CHO cell physiology and fed-batch process performance - two-compartment scale-down modelling and intracellular pH excursion.

Science.gov (United States)

Brunner, Matthias; Braun, Philipp; Doppler, Philipp; Posch, Christoph; Behrens, Dirk; Herwig, Christoph; Fricke, Jens

2017-07-01

Due to high mixing times and base addition from top of the vessel, pH inhomogeneities are most likely to occur during large-scale mammalian processes. The goal of this study was to set-up a scale-down model of a 10-12 m 3 stirred tank bioreactor and to investigate the effect of pH perturbations on CHO cell physiology and process performance. Short-term changes in extracellular pH are hypothesized to affect intracellular pH and thus cell physiology. Therefore, batch fermentations, including pH shifts to 9.0 and 7.8, in regular one-compartment systems are conducted. The short-term adaption of the cells intracellular pH are showed an immediate increase due to elevated extracellular pH. With this basis of fundamental knowledge, a two-compartment system is established which is capable of simulating defined pH inhomogeneities. In contrast to state-of-the-art literature, the scale-down model is included parameters (e.g. volume of the inhomogeneous zone) as they might occur during large-scale processes. pH inhomogeneity studies in the two-compartment system are performed with simulation of temporary pH zones of pH 9.0. The specific growth rate especially during the exponential growth phase is strongly affected resulting in a decreased maximum viable cell density and final product titer. The gathered results indicate that even short-term exposure of cells to elevated pH values during large-scale processes can affect cell physiology and overall process performance. In particular, it could be shown for the first time that pH perturbations, which might occur during the early process phase, have to be considered in scale-down models of mammalian processes. Copyright © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
A kilobyte rewritable atomic memory

Science.gov (United States)

Kalff, Floris; Rebergen, Marnix; Fahrenfort, Nora; Girovsky, Jan; Toskovic, Ranko; Lado, Jose; FernáNdez-Rossier, JoaquíN.; Otte, Sander

The ability to manipulate individual atoms by means of scanning tunneling microscopy (STM) opens op opportunities for storage of digital data on the atomic scale. Recent achievements in this direction include data storage based on bits encoded in the charge state, the magnetic state, or the local presence of single atoms or atomic assemblies. However, a key challenge at this stage is the extension of such technologies into large-scale rewritable bit arrays. We demonstrate a digital atomic-scale memory of up to 1 kilobyte (8000 bits) using an array of individual surface vacancies in a chlorine terminated Cu(100) surface. The chlorine vacancies are found to be stable at temperatures up to 77 K. The memory, crafted using scanning tunneling microscopy at low temperature, can be read and re-written automatically by means of atomic-scale markers, and offers an areal density of 502 Terabits per square inch, outperforming state-of-the-art hard disk drives by three orders of magnitude.
Basin scale management of surface and ground water

International Nuclear Information System (INIS)

Tracy, J.C.; Al-Sharif, M.

1993-01-01

An important element in the economic development of many regions of the Great Plains is the availability of a reliable water supply. Due to the highly variable nature of the climate through out much of the Great Plains region, non-controlled stream flow rates tend to be highly variable from year to year. Thus, the primary water supply has tended towards developing ground water aquifers. However, in regions where shallow ground water is extracted for use, there exists the potential for over drafting aquifers to the point of depleting hydraulically connected stream flows, which could adversely affect the water supply of downstream users. To prevent the potential conflict that can arise when a basin's water supply is being developed or to control the water extractions within a developed basin requires the ability to predict the effect that water extractions in one region will have on water extractions from either surface or ground water supplies else where in the basin. This requires the ability to simulate ground water levels and stream flows on a basin scale as affected by changes in water use, land use practices and climatic changes within the basin. The outline for such a basin scale surface water-ground water model has been presented in Tracy (1991) and Tracy and Koelliker (1992), and the outline for the mathematical programming statement to aid in determining the optimal allocation of water on a basin scale has been presented in Tracy and Al-Sharif (1992). This previous work has been combined into a computer based model with graphical output referred to as the LINOSA model and was developed as a decision support system for basin managers. This paper will present the application of the LINOSA surface-ground water management model to the Rattlesnake watershed basin that resides within Ground Water Management District Number 5 in south central Kansas
Water and nutrient budgets at field and regional scale : travel times of drainage water and nutrient loads to surface water

NARCIS (Netherlands)

Eertwegh, van den G.A.P.H.

2002-01-01

Keywords : water and nutrient budget, travel time of drainage water, dual-porosity concept, agricultural nutrient losses, loads to surface water, field-scale experiments, regional-scale

Dislocation-stacking fault tetrahedron interaction: what can we learn from atomic-scale modelling

International Nuclear Information System (INIS)

Osetsky, Yu.N.; Stoller, R.E.; Matsukawa, Y.

2004-01-01

The high number density of stacking fault tetrahedra (SFTs) observed in irradiated fcc metals suggests that they should contribute to radiation-induced hardening and, therefore, taken into account when estimating mechanical properties changes of irradiated materials. The central issue is describing the individual interaction between a moving dislocation and an SFT, which is characterized by a very fine size scale, ∼100 nm. This scale is amenable to both in situ TEM experiments and large-scale atomic modelling. In this paper we present results of an atomistic simulation of dislocation-SFT interactions using molecular dynamics (MD). The results are compared with observations from in situ deformation experiments. It is demonstrated that in some cases the simulations and experimental observations are quite similar, suggesting a reasonable interpretation of experimental observations

Atomic-scale structure of self-assembled In(Ga)As quantum rings in GaAs

NARCIS (Netherlands)

Offermans, P.; Koenraad, P.M.; Wolter, J.H.; Granados, D.; Garcia, J.M.; Fomin, V.; Gladilin, V.N.; Devreese, J.T.

2005-01-01

We present an atomic-scale analysis of the indium distribution of self-assembled In(Ga)As quantum rings (QRs) which are formed from InAs quantum dots by capping with a thin layer of GaAs and subsequent annealing. We find that the size and shape of QRs as observed by cross-sectional scanning

The spatial distribution of pollutants in pipe-scale of large-diameter pipelines in a drinking water distribution system

Energy Technology Data Exchange (ETDEWEB)

Liu, Jingqing [College of Engineering and Architecture, Zhejiang University, Hangzhou 310058 (China); Chen, Huanyu [College of Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China); Binhai Industrial Technology Research Institute of Zhejiang University, Tianjin 300000 (China); Yao, Lingdan; Wei, Zongyuan [College of Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China); Lou, Liping, E-mail: loulp@zju.edu.cn [College of Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China); Shan, Yonggui; Endalkachew, Sahle-Demessie; Mallikarjuna, Nadagouda [Environmental Protection Agency, Office of Research and Development, NRMRL, Cincinnati, OH 45220 (United States); Hu, Baolan [College of Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China); Zhou, Xiaoyan [Shaoxing Water Environmental Science Institute Co. Ltd, Zhejiang 312000 (China)

2016-11-05

Highlights: • First investigating the spatial distribution of pollutants in pipe-scale. • Spatial distribution of heavy metals indicated their sources were different. • Three main factors effete the distribution of pollutants. • Organic deposits mainly included microbial and microalgae metabolites. - Abstract: In large-diameter drinking water pipelines, spatial differences in hydraulic and physiochemical conditions may also result in spatial variations in pipe corrosion, biofilm growth and pollutant accumulation. In this article, the spatial distributions of various metals and organic contaminants in two 19-year-old grey cast iron pipes which had an internal diameter of 600 mm (DN600), were investigated and analyzed by Atomic Absorption Spectrometry, Gas Chromatography–Mass Spectrometry, Energy Dispersive Spectrometer, X-ray Diffraction, etc. The spatial distribution of heavy metals varied significantly across the pipe section, and iron, manganese, lead, copper, and chromium were highest in concentration in the upper portion pipe-scales. However, the highest aluminum and zinc content was detected in the lower portion pipe-scales. Apart from some common types of hydrocarbons formed by microbial metabolites, there were also some microalgae metabolites and exogenous contaminants accumulated in pipe-scale, which also exhibited high diversity between different spatial locations. The spatial distributions of the physical and chemical properties of pipe-scale and contaminants were quite different in large-diameter pipes. The finding put forward higher requirements on the research method about drinking water distribution system chemical safety. And the scientific community need understand trend and dynamics of drinking water pipe systems better.
The spatial distribution of pollutants in pipe-scale of large-diameter pipelines in a drinking water distribution system

International Nuclear Information System (INIS)

Liu, Jingqing; Chen, Huanyu; Yao, Lingdan; Wei, Zongyuan; Lou, Liping; Shan, Yonggui; Endalkachew, Sahle-Demessie; Mallikarjuna, Nadagouda; Hu, Baolan; Zhou, Xiaoyan

2016-01-01

Highlights: • First investigating the spatial distribution of pollutants in pipe-scale. • Spatial distribution of heavy metals indicated their sources were different. • Three main factors effete the distribution of pollutants. • Organic deposits mainly included microbial and microalgae metabolites. - Abstract: In large-diameter drinking water pipelines, spatial differences in hydraulic and physiochemical conditions may also result in spatial variations in pipe corrosion, biofilm growth and pollutant accumulation. In this article, the spatial distributions of various metals and organic contaminants in two 19-year-old grey cast iron pipes which had an internal diameter of 600 mm (DN600), were investigated and analyzed by Atomic Absorption Spectrometry, Gas Chromatography–Mass Spectrometry, Energy Dispersive Spectrometer, X-ray Diffraction, etc. The spatial distribution of heavy metals varied significantly across the pipe section, and iron, manganese, lead, copper, and chromium were highest in concentration in the upper portion pipe-scales. However, the highest aluminum and zinc content was detected in the lower portion pipe-scales. Apart from some common types of hydrocarbons formed by microbial metabolites, there were also some microalgae metabolites and exogenous contaminants accumulated in pipe-scale, which also exhibited high diversity between different spatial locations. The spatial distributions of the physical and chemical properties of pipe-scale and contaminants were quite different in large-diameter pipes. The finding put forward higher requirements on the research method about drinking water distribution system chemical safety. And the scientific community need understand trend and dynamics of drinking water pipe systems better.
Full Scale Drinking Water System Decontamination at the Water Security Test Bed

Data.gov (United States)

U.S. Environmental Protection Agency — The EPA’s Water Security Test Bed (WSTB) facility is a full-scale representation of a drinking water distribution system. In collaboration with the Idaho National...
Molecular structure of dipalmitoylphospatidylcholine Langmuir-Blodgett monolayers studied by atomic force microscopy.

NARCIS (Netherlands)

Zhai, X.; Kleijn, J.M.

1997-01-01

Monolayers of dipalmitoylphosphatidylcholine (DPPC) on the air-water interface have been transferred at various surface pressures onto quartz substrates using the Langmuir-Blodgett (LB) technique. The topography of these layers, on a molecular scale, has been examined by atomic force microscopy
Use of Atomic Oxygen for Increased Water Contact Angles of Various Polymers for Biomedical Applications

Science.gov (United States)

deGroh, Kim; Berger, Lauren; Roberts, Lily

2009-01-01

The purpose of this study was to determine the effect of atomic oxygen (AO) exposure on the hydrophilicity of nine different polymers for biomedical applications. Atomic oxygen treatment can alter the chemistry and morphology of polymer surfaces, which may increase the adhesion and spreading of cells on Petri dishes and enhance implant growth. Therefore, nine different polymers were exposed to atomic oxygen and water-contact angle, or hydrophilicity, was measured after exposure. To determine whether hydrophilicity remains static after initial atomic oxygen exposure, or changes with higher fluence exposures, the contact angles between the polymer and water droplet placed on the polymer s surface were measured versus AO fluence. The polymers were exposed to atomic oxygen in a 100-W, 13.56-MHz radio frequency (RF) plasma asher, and the treatment was found to significantly alter the hydrophilicity of non-fluorinated polymers. Pristine samples were compared with samples that had been exposed to AO at various fluence levels. Minimum and maximum fluences for the ashing trials were set based on the effective AO erosion of a Kapton witness coupon in the asher. The time intervals for ashing were determined by finding the logarithmic values of the minimum and maximum fluences. The difference of these two values was divided by the desired number of intervals (ideally 10). The initial desired fluence was then multiplied by this result (2.37), as was each subsequent desired fluence. The flux in the asher was determined to be approximately 3.0 x 10(exp 15) atoms/sq cm/sec, and each polymer was exposed to a maximum fluence of 5.16 x 10(exp 20) atoms/sq cm.
Atomic oxygen production scaling in a nanosecond-pulsed externally grounded dielectric barrier plasma jet

Science.gov (United States)

Sands, Brian; Schmidt, Jacob; Ganguly, Biswa; Scofield, James

2014-10-01

Atomic oxygen production is studied in a capillary dielectric barrier plasma jet that is externally grounded and driven with a 20-ns risetime positive unipolar pulsed voltage at pulse repetition rates up to 25 kHz. The power coupled to the discharge can be easily increased by increasing the pulse repetition rate. At a critical turnover frequency, determined by the net energy density coupled to the discharge, the plasma chemistry abruptly changes. This is indicated by increased plasma conductance and a transition in reactive oxygen species production from an ozone-dominated production regime below the turnover frequency to atomic-oxygen-dominated production at higher pulse rates. Here, we characterize atomic oxygen production scaling using spatially- and temporally-resolved two-photon absorption laser-induced-fluorescence (TALIF). Quantitative results are obtained via calibration with xenon using a similar laser excitation and collection system. These results are compared with quantitative ozone and discharge power measurements using a helium gas flow with oxygen admixtures up to 3%.
Atomic structure of intracellular amorphous calcium phosphate deposits.

Science.gov (United States)

Betts, F; Blumenthal, N C; Posner, A S; Becker, G L; Lehninger, A L

1975-06-01

The radial distribution function calculated from x-ray diffraction of mineralized cytoplasmic structures isolated from the hepatopancreas of the blue crab (Callinectes sapidus) is very similar to that previously found for synthetic amorphous calcium phosphate. Both types of mineral apparently have only short-range atomic order, represented as a neutral ion cluster of about 10 A in longest dimension, whose probable composition is expressed by the formula Ca9(PO4)6. The minor differences observed are attributed to the presence in the biological mineral of significant amounts of Mg-2+ and ATP. Synthetic amorphous calcium phosphate in contact with a solution containing an amount of ATP equivalent to that of the biological mineral failed to undergo conversion to the thermodynamically more stable hydroxyapatite. The amorphous calcium phosphate of the cytoplasmic mineral granules is similarly stable, and does not undergo conversion to hydroxyapatite, presumably owing to the presence of ATP and Mg-2+, known in inhibitors of the conversion process. The physiological implications of mineral deposits consisting of stabilized calcium phosphate ion clusters are discussed.
xGASS: total cold gas scaling relations and molecular-to-atomic gas ratios of galaxies in the local Universe

Science.gov (United States)

Catinella, Barbara; Saintonge, Amélie; Janowiecki, Steven; Cortese, Luca; Davé, Romeel; Lemonias, Jenna J.; Cooper, Andrew P.; Schiminovich, David; Hummels, Cameron B.; Fabello, Silvia; Geréb, Katinka; Kilborn, Virginia; Wang, Jing

2018-05-01

We present the extended GALEX Arecibo SDSS Survey (xGASS), a gas fraction-limited census of the atomic hydrogen (H I) gas content of 1179 galaxies selected only by stellar mass (M⋆ = 109-1011.5 M⊙) and redshift (0.01 new Arecibo observations of 208 galaxies, for which we release catalogues and H I spectra. In addition to extending the GASS H I scaling relations by one decade in stellar mass, we quantify total (atomic+molecular) cold gas fractions and molecular-to-atomic gas mass ratios, Rmol, for the subset of 477 galaxies observed with the IRAM 30 m telescope. We find that atomic gas fractions keep increasing with decreasing stellar mass, with no sign of a plateau down to log M⋆/M⊙ = 9. Total gas reservoirs remain H I-dominated across our full stellar mass range, hence total gas fraction scaling relations closely resemble atomic ones, but with a scatter that strongly correlates with Rmol, especially at fixed specific star formation rate. On average, Rmol weakly increases with stellar mass and stellar surface density μ⋆, but individual values vary by almost two orders of magnitude at fixed M⋆ or μ⋆. We show that, for galaxies on the star-forming sequence, variations of Rmol are mostly driven by changes of the H I reservoirs, with a clear dependence on μ⋆. Establishing if galaxy mass or structure plays the most important role in regulating the cold gas content of galaxies requires an accurate separation of bulge and disc components for the study of gas scaling relations.
Water scaling in the North Sea oil and gas fields and scale prediction: An overview

Energy Technology Data Exchange (ETDEWEB)

Yuan, M

1997-12-31

Water-scaling is a common and major production chemistry problem in the North Sea oil and gas fields and scale prediction has been an important means to assess the potential and extent of scale deposition. This paper presents an overview of sulphate and carbonate scaling problems in the North Sea and a review of several widely used and commercially available scale prediction software. In the paper, the water chemistries and scale types and severities are discussed relative of the geographical distribution of the fields in the North Sea. The theories behind scale prediction are then briefly described. Five scale or geochemical models are presented and various definitions of saturation index are compared and correlated. Views are the expressed on how to predict scale precipitation under some extreme conditions such as that encountered in HPHT reservoirs. 15 refs., 7 figs., 9 tabs.
Fundamental Challenges for Modeling Electrochemical Energy Storage Systems at the Atomic Scale.

Science.gov (United States)

Groß, Axel

2018-04-23

There is a strong need to improve the efficiency of electrochemical energy storage, but progress is hampered by significant technological and scientific challenges. This review describes the potential contribution of atomic-scale modeling to the development of more efficient batteries, with a particular focus on first-principles electronic structure calculations. Numerical and theoretical obstacles are discussed, along with ways to overcome them, and some recent examples are presented illustrating the insights into electrochemical energy storage that can be gained from quantum chemical studies.
Nano hydroxyapatite-blasted titanium surface affects pre-osteoblast morphology by modulating critical intracellular pathways.

Science.gov (United States)

Bezerra, Fábio; Ferreira, Marcel R; Fontes, Giselle N; da Costa Fernandes, Célio Jr; Andia, Denise C; Cruz, Nilson C; da Silva, Rodrigo A; Zambuzzi, Willian F

2017-08-01

Although, intracellular signaling pathways are proposed to predict the quality of cell-surface relationship, this study addressed pre-osteoblast behavior in response to nano hydroxyapatite (HA)-blasted titanium (Ti) surface by exploring critical intracellular pathways and pre-osteoblast morphological change. Physicochemical properties were evaluated by atomic force microscopy (AFM) and wettability considering water contact angle of three differently texturized Ti surfaces: Machined (Mac), Dual acid-etching (DAE), and nano hydroxyapatite-blasted (nHA). The results revealed critical differences in surface topography, impacting the water contact angle and later the osteoblast performance. In order to evaluate the effect of those topographical characteristics on biological responses, we have seeded pre-osteoblast cells on the Ti discs for up to 4 h and subjected the cultures to biological analysis. First, we have observed pre-osteoblasts morphological changes resulting from the interaction with the Ti texturized surfaces whereas the cells cultured on nHA presented a more advanced spreading process when compared with the cells cultured on the other surfaces. These results argued us for analyzing the molecular machinery and thus, we have shown that nHA promoted a lower Bax/Bcl2 ratio, suggesting an interesting anti-apoptotic effect, maybe explained by the fact that HA is a natural element present in bone composition. Thereafter, we investigated the potential effect of those surfaces on promoting pre-osteoblast adhesion and survival signaling by performing crystal violet and immunoblotting approaches, respectively. Our results showed that nHA promoted a higher pre-osteoblast adhesion supported by up-modulating FAK and Src activations, both signaling transducers involved during eukaryotic cell adhesion. Also, we have shown Ras-Erk stimulation by the all evaluated surfaces. Finally, we showed that all Ti-texturing surfaces were able to promote osteoblast differentiation
Electron - atom bremsstrahlung

International Nuclear Information System (INIS)

Kim, L.

1986-01-01

Features of bremsstrahlung radiation from neutral atoms and atoms in hot dense plasmas are studied. Predictions for the distributions of electron-atom bremsstrahlung radiation for both the point-Coulomb potential and screened potentials are obtained using a classical numerical method. Results agree with exact quantum-mechanical partial-wave results for low incident electron energies in both the point-Coulomb and screened potentials. In the screened potential, the asymmetry parameter of a spectrum is reduced from the Coulomb values. The difference increases with decreasing energy and begins to oscillate at very low energies. The scaling properties of bremsstrahlung spectra and energy losses were also studied. It was found that the ratio of the radiative energy loss for positrons to that for electrons obeys a simple scaling law, being expressible fairly accurately as a function only of the quantity T 1 /Z 2 . This scaling is exact in the case of the point-Coulomb potential, both for classical bremsstrahlung and for the nonrelativistic dipole Sommerfeld formula. Bremsstrahlung from atoms in hot dense plasmas were also studied describing the atomic potentials by the temperature-and-density dependent Thomas-Fermi mode. Gaunt factors were obtained with the relativistic partial-wave method for atoms in plasmas of various densities and temperatures
Accomplishments of LOCA/ECCS experimental research at Japan Atomic Energy Research Institute

International Nuclear Information System (INIS)

Tasaka, Kanji; Murao, Yoshio; Koizumi, Yasuo

1984-01-01

Japan Atomic Energy Research Institute has investigated loss-of-coolant accident (LOCA)/emergency core cooling system (ECCS) from 1970. Major results of the LOCA/ECCS research are summarized in this report. ROSA-II program was LOCA/ECCS research for a pressurized water reactor (PWR) and ROSA-III program was for a boiling water reactor (BWR). The both test facilities were scaled at approximately 1/400 of the respective reference PWR and BWR. Large scale reflood test is research on reflood phenomena during a large break LOCA of PWR. The test facility is scaled at approximately 1/20 of the reference PWR and the research is still being continued. (author)
Ground-water solute transport modeling using a three-dimensional scaled model

International Nuclear Information System (INIS)

Crider, S.S.

1987-01-01

Scaled models are used extensively in current hydraulic research on sediment transport and solute dispersion in free surface flows (rivers, estuaries), but are neglected in current ground-water model research. Thus, an investigation was conducted to test the efficacy of a three-dimensional scaled model of solute transport in ground water. No previous results from such a model have been reported. Experiments performed on uniform scaled models indicated that some historical problems (e.g., construction and scaling difficulties; disproportionate capillary rise in model) were partly overcome by using simple model materials (sand, cement and water), by restricting model application to selective classes of problems, and by physically controlling the effect of the model capillary zone. Results from these tests were compared with mathematical models. Model scaling laws were derived for ground-water solute transport and used to build a three-dimensional scaled model of a ground-water tritium plume in a prototype aquifer on the Savannah River Plant near Aiken, South Carolina. Model results compared favorably with field data and with a numerical model. Scaled models are recommended as a useful additional tool for prediction of ground-water solute transport
Evolution of the Contact Area with Normal Load for Rough Surfaces: from Atomic to Macroscopic Scales.

Science.gov (United States)

Huang, Shiping

2017-11-13

The evolution of the contact area with normal load for rough surfaces has great fundamental and practical importance, ranging from earthquake dynamics to machine wear. This work bridges the gap between the atomic scale and the macroscopic scale for normal contact behavior. The real contact area, which is formed by a large ensemble of discrete contacts (clusters), is proven to be much smaller than the apparent surface area. The distribution of the discrete contact clusters and the interaction between them are key to revealing the mechanism of the contacting solids. To this end, Green's function molecular dynamics (GFMD) is used to study both how the contact cluster evolves from the atomic scale to the macroscopic scale and the interaction between clusters. It is found that the interaction between clusters has a strong effect on their formation. The formation and distribution of the contact clusters is far more complicated than that predicted by the asperity model. Ignorance of the interaction between them leads to overestimating the contacting force. In real contact, contacting clusters are smaller and more discrete due to the interaction between the asperities. Understanding the exact nature of the contact area with the normal load is essential to the following research on friction.
Characteristics of iron corrosion scales and water quality variations in drinking water distribution systems of different pipe materials.

Science.gov (United States)

Li, Manjie; Liu, Zhaowei; Chen, Yongcan; Hai, Yang

2016-12-01

Interaction between old, corroded iron pipe surfaces and bulk water is crucial to the water quality protection in drinking water distribution systems (WDS). Iron released from corrosion products will deteriorate water quality and lead to red water. This study attempted to understand the effects of pipe materials on corrosion scale characteristics and water quality variations in WDS. A more than 20-year-old hybrid pipe section assembled of unlined cast iron pipe (UCIP) and galvanized iron pipe (GIP) was selected to investigate physico-chemical characteristics of corrosion scales and their effects on water quality variations. Scanning Electron Microscope (SEM), Energy Dispersive X-ray Spectroscopy (EDS), Inductively Coupled Plasma (ICP) and X-ray Diffraction (XRD) were used to analyze micromorphology and chemical composition of corrosion scales. In bench testing, water quality parameters, such as pH, dissolved oxygen (DO), oxidation reduction potential (ORP), alkalinity, conductivity, turbidity, color, Fe 2+ , Fe 3+ and Zn 2+ , were determined. Scale analysis and bench-scale testing results demonstrated a significant effect of pipe materials on scale characteristics and thereby water quality variations in WDS. Characteristics of corrosion scales sampled from different pipe segments show obvious differences, both in physical and chemical aspects. Corrosion scales were found highly amorphous. Thanks to the protection of zinc coatings, GIP system was identified as the best water quality stability, in spite of high zinc release potential. It is deduced that the complicated composition of corrosion scales and structural break by the weld result in the diminished water quality stability in HP system. Measurement results showed that iron is released mainly in ferric particulate form. Copyright © 2016 Elsevier Ltd. All rights reserved.
Intracellular nitrate of marine diatoms as a driver of anaerobic nitrogen cycling in sinking aggregates

DEFF Research Database (Denmark)

Kamp, Anja; Stief, Peter; Bristow, Laura A.

2016-01-01

% was recovered as nitrite. Hence, aggregate-associated diatoms accumulate nitrate from the surrounding water and sustain complex nitrogen transformations, including loss of fixed nitrogen, in anoxic, pelagic microniches. Additionally, it may be expected that intracellular nitrate not converted before...... store nitrate intracellularly, we explored the fate of intracellular nitrate and its availability for microbial metabolism within anoxic diatom-bacteria aggregates. The ubiquitous nitrate-storing diatom Skeletonema marinoi was studied as both axenic cultures and laboratory-produced diatom......-bacteria aggregates. Stable 15N isotope incubations under dark and anoxic conditions revealed that axenic S. marinoi is able to reduce intracellular nitrate to ammonium that is immediately excreted by the cells. When exposed to a light:dark cycle and oxic conditions, S. marinoi stored nitrate intracellularly...
Atoms in Flight: The Remarkable Connections between Atomic and Hadronic Physics

Energy Technology Data Exchange (ETDEWEB)

Brodsky, Stanley J.; /SLAC

2012-02-16

Atomic physics and hadron physics are both based on Yang Mills gauge theory; in fact, quantum electrodynamics can be regarded as the zero-color limit of quantum chromodynamics. I review a number of areas where the techniques of atomic physics provide important insight into the theory of hadrons in QCD. For example, the Dirac-Coulomb equation, which predicts the spectroscopy and structure of hydrogenic atoms, has an analog in hadron physics in the form of light-front relativistic equations of motion which give a remarkable first approximation to the spectroscopy, dynamics, and structure of light hadrons. The renormalization scale for the running coupling, which is unambiguously set in QED, leads to a method for setting the renormalization scale in QCD. The production of atoms in flight provides a method for computing the formation of hadrons at the amplitude level. Conversely, many techniques which have been developed for hadron physics, such as scaling laws, evolution equations, and light-front quantization have equal utility for atomic physics, especially in the relativistic domain. I also present a new perspective for understanding the contributions to the cosmological constant from QED and QCD.
Instantaneous normal mode analysis for intermolecular and intramolecular vibrations of water from atomic point of view.

Science.gov (United States)

Chen, Yu-Chun; Tang, Ping-Han; Wu, Ten-Ming

2013-11-28

By exploiting the instantaneous normal mode (INM) analysis for models of flexible molecules, we investigate intermolecular and intramolecular vibrations of water from the atomic point of view. With two flexible SPC/E models, our investigations include three aspects about their INM spectra, which are separated into the unstable, intermolecular, bending, and stretching bands. First, the O- and H-atom contributions in the four INM bands are calculated and their stable INM spectra are compared with the power spectra of the atomic velocity autocorrelation functions. The unstable and intermolecular bands of the flexible models are also compared with those of the SPC/E model of rigid molecules. Second, we formulate the inverse participation ratio (IPR) of the INMs, respectively, for the O- and H-atom and molecule. With the IPRs, the numbers of the three species participated in the INMs are estimated so that the localization characters of the INMs in each band are studied. Further, by the ratio of the IPR of the H atom to that of the O atom, we explore the number of involved OH bond per molecule participated in the INMs. Third, by classifying simulated molecules into subensembles according to the geometry of their local environments or their H-bond configurations, we examine the local-structure effects on the bending and stretching INM bands. All of our results are verified to be insensible to the definition of H-bond. Our conclusions about the intermolecular and intramolecular vibrations in water are given.
Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model

Science.gov (United States)

Pande, Vijay S.; Head-Gordon, Teresa; Ponder, Jay W.

2016-01-01

A set of improved parameters for the AMOEBA polarizable atomic multipole water model is developed. The protocol uses an automated procedure, ForceBalance, to adjust model parameters to enforce agreement with ab initio-derived results for water clusters and experimentally obtained data for a variety of liquid phase properties across a broad temperature range. The values reported here for the new AMOEBA14 water model represent a substantial improvement over the previous AMOEBA03 model. The new AMOEBA14 water model accurately predicts the temperature of maximum density and qualitatively matches the experimental density curve across temperatures ranging from 249 K to 373 K. Excellent agreement is observed for the AMOEBA14 model in comparison to a variety of experimental properties as a function of temperature, including the 2nd virial coefficient, enthalpy of vaporization, isothermal compressibility, thermal expansion coefficient and dielectric constant. The viscosity, self-diffusion constant and surface tension are also well reproduced. In comparison to high-level ab initio results for clusters of 2 to 20 water molecules, the AMOEBA14 model yields results similar to the AMOEBA03 and the direct polarization iAMOEBA models. With advances in computing power, calibration data, and optimization techniques, we recommend the use of the AMOEBA14 water model for future studies employing a polarizable water model. PMID:25683601

A laboratory manual for the determination of metals in water and wastewater by atomic absorption spectrophotometry

International Nuclear Information System (INIS)

Smith, R.

1983-01-01

This guide presents, in addition to a brief discussion of the basic principles and practical aspects of atomic absorption spectrophotometry, a scheme of analysis for the determination of 19 metals in water and wastewater, 16 by flame atomic absorption and 3 by vapour generation techniques. Simplicity, speed and accuracy were the main criteria considered in the selection of the various methods
Super-Maxwellian helium evaporation from pure and salty water

International Nuclear Information System (INIS)

Hahn, Christine; Kann, Zachary R.; Faust, Jennifer A.; Skinner, J. L.; Nathanson, Gilbert M.

2016-01-01

Helium atoms evaporate from pure water and salty solutions in super-Maxwellian speed distributions, as observed experimentally and modeled theoretically. The experiments are performed by monitoring the velocities of dissolved He atoms that evaporate from microjets of pure water at 252 K and 4–8.5 molal LiCl and LiBr at 232–252 K. The average He atom energies exceed the flux-weighted Maxwell-Boltzmann average of 2RT by 30% for pure water and 70% for 8.5m LiBr. Classical molecular dynamics simulations closely reproduce the observed speed distributions and provide microscopic insight into the forces that eject the He atoms from solution. Comparisons of the density profile and He kinetic energies across the water-vacuum interface indicate that the He atoms are accelerated by He–water collisions within the top 1-2 layers of the liquid. We also find that the average He atom kinetic energy scales with the free energy of solvation of this sparingly soluble gas. This free-energy difference reflects the steeply decreasing potential of mean force on the He atoms in the interfacial region, whose gradient is the repulsive force that tends to expel the atoms. The accompanying sharp decrease in water density suppresses the He–water collisions that would otherwise maintain a Maxwell-Boltzmann distribution, allowing the He atom to escape at high energies. Helium is especially affected by this reduction in collisions because its weak interactions make energy transfer inefficient
Super-Maxwellian helium evaporation from pure and salty water

Energy Technology Data Exchange (ETDEWEB)

Hahn, Christine; Kann, Zachary R.; Faust, Jennifer A.; Skinner, J. L., E-mail: skinner@chem.wisc.edu, E-mail: nathanson@chem.wisc.edu; Nathanson, Gilbert M., E-mail: skinner@chem.wisc.edu, E-mail: nathanson@chem.wisc.edu [Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706 (United States)

2016-01-28

Helium atoms evaporate from pure water and salty solutions in super-Maxwellian speed distributions, as observed experimentally and modeled theoretically. The experiments are performed by monitoring the velocities of dissolved He atoms that evaporate from microjets of pure water at 252 K and 4–8.5 molal LiCl and LiBr at 232–252 K. The average He atom energies exceed the flux-weighted Maxwell-Boltzmann average of 2RT by 30% for pure water and 70% for 8.5m LiBr. Classical molecular dynamics simulations closely reproduce the observed speed distributions and provide microscopic insight into the forces that eject the He atoms from solution. Comparisons of the density profile and He kinetic energies across the water-vacuum interface indicate that the He atoms are accelerated by He–water collisions within the top 1-2 layers of the liquid. We also find that the average He atom kinetic energy scales with the free energy of solvation of this sparingly soluble gas. This free-energy difference reflects the steeply decreasing potential of mean force on the He atoms in the interfacial region, whose gradient is the repulsive force that tends to expel the atoms. The accompanying sharp decrease in water density suppresses the He–water collisions that would otherwise maintain a Maxwell-Boltzmann distribution, allowing the He atom to escape at high energies. Helium is especially affected by this reduction in collisions because its weak interactions make energy transfer inefficient.
Hydrogen atom temperature measured with wavelength-modulated laser absorption spectroscopy in large scale filament arc negative hydrogen ion source

International Nuclear Information System (INIS)

Nakano, H.; Goto, M.; Tsumori, K.; Kisaki, M.; Ikeda, K.; Nagaoka, K.; Osakabe, M.; Takeiri, Y.; Kaneko, O.; Nishiyama, S.; Sasaki, K.

2015-01-01

The velocity distribution function of hydrogen atoms is one of the useful parameters to understand particle dynamics from negative hydrogen production to extraction in a negative hydrogen ion source. Hydrogen atom temperature is one of the indicators of the velocity distribution function. To find a feasibility of hydrogen atom temperature measurement in large scale filament arc negative hydrogen ion source for fusion, a model calculation of wavelength-modulated laser absorption spectroscopy of the hydrogen Balmer alpha line was performed. By utilizing a wide range tunable diode laser, we successfully obtained the hydrogen atom temperature of ∼3000 K in the vicinity of the plasma grid electrode. The hydrogen atom temperature increases as well as the arc power, and becomes constant after decreasing with the filling of hydrogen gas pressure
Time scales of supercooled water and implications for reversible polyamorphism

Science.gov (United States)

Limmer, David T.; Chandler, David

2015-09-01

Deeply supercooled water exhibits complex dynamics with large density fluctuations, ice coarsening and characteristic time scales extending from picoseconds to milliseconds. Here, we discuss implications of these time scales as they pertain to two-phase coexistence and to molecular simulations of supercooled water. Specifically, we argue that it is possible to discount liquid-liquid criticality because the time scales imply that correlation lengths for such behaviour would be bounded by no more than a few nanometres. Similarly, it is possible to discount two-liquid coexistence because the time scales imply a bounded interfacial free energy that cannot grow in proportion to a macroscopic surface area. From time scales alone, therefore, we see that coexisting domains of differing density in supercooled water can be no more than nanoscale transient fluctuations.
Ultrafast, laser-based, x-ray science: the dawn of atomic-scale cinematography

International Nuclear Information System (INIS)

Barty, C.P.J.

2000-01-01

The characteristics of ultrafast chirped pulse amplification systems are reviewed. Application of ultrafast chirped pulse amplification to the generation of femtosecond, incoherent, 8-keV line radiation is outlined and the use of femtosecond laser-based, x-rays for novel time-resolved diffraction studies of crystalline dynamics with sub-picosecond temporal resolution and sub-picometer spatial resolution is reviewed in detail. Possible extensions of laser-based, x-ray technology and evaluation of alternative x-ray approaches for time-resolved studies of the atomic scale dynamics are given. (author)
Ultrafast, laser-based, x-ray science: the dawn of atomic-scale cinematography

Energy Technology Data Exchange (ETDEWEB)

Barty, C.P.J. [University of California, Department of Applied Mechanics and Engineering Science, Urey Hall, Mali Code 0339, San Diego, La Jolla, CA (United States)

2000-03-01

The characteristics of ultrafast chirped pulse amplification systems are reviewed. Application of ultrafast chirped pulse amplification to the generation of femtosecond, incoherent, 8-keV line radiation is outlined and the use of femtosecond laser-based, x-rays for novel time-resolved diffraction studies of crystalline dynamics with sub-picosecond temporal resolution and sub-picometer spatial resolution is reviewed in detail. Possible extensions of laser-based, x-ray technology and evaluation of alternative x-ray approaches for time-resolved studies of the atomic scale dynamics are given. (author)
Deliberation and Scale in Mekong Region Water Governance

Science.gov (United States)

Dore, John; Lebel, Louis

2010-07-01

Understanding the politics of deliberation, scales, and levels is crucial to understanding the social complexity of water-related governance. Deliberative processes might complement and inform more conventional representational and bureaucratic approaches to planning and decision-making. However, they are also subject to scale and level politics, which can confound institutionalized decision-making. Scale and level contests arise in dialogues and related arenas because different actors privilege particular temporal or spatial scales and levels in their analysis, arguments, and responses. Scale contests might include whether to privilege administrative, hydrological, ecosystem, or economic boundaries. Level contests might include whether to privilege the subdistrict or the province, the tributary watershed or the international river basin, a river or a biogeographic region, and the local or the regional economy. In the Mekong Region there is a recurrent demand for water resources development projects and major policies proposed by governments and investors to be scrutinized in public. Deliberative forms of engagement are potentially very helpful because they encourage supporters and critics to articulate assumptions and reasoning about the different opportunities and risks associated with alternative options, and in doing so, they often traverse and enable higher-quality conversations within and across scales and within and between levels. Six case studies from the Mekong Region are examined. We find evidence that scale and level politics affects the context, process, content, and outcomes of deliberative engagement in a region where public deliberation is still far from being a norm, particularly where there are sensitive and far-reaching choices to be made about water use and energy production.
Scaling Soil Microbe-Water Interactions from Pores to Ecosystems

Science.gov (United States)

Manzoni, S.; Katul, G. G.

2014-12-01

The spatial scales relevant to soil microbial activity are much finer than scales relevant to whole-ecosystem function and biogeochemical cycling. On the one hand, how to link such different scales and develop scale-aware biogeochemical and ecohydrological models remains a major challenge. On the other hand, resolving these linkages is becoming necessary for testing ecological hypotheses and resolving data-theory inconsistencies. Here, the relation between microbial respiration and soil moisture expressed in water potential is explored. Such relation mediates the water availability effects on ecosystem-level heterotrophic respiration and is of paramount importance for understanding CO2 emissions under increasingly variable rainfall regimes. Respiration has been shown to decline as the soil dries in a remarkably consistent way across climates and soil types (open triangles in Figure). Empirical models based on these respiration-moisture relations are routinely used in Earth System Models to predict moisture effects on ecosystem respiration. It has been hypothesized that this consistency in microbial respiration decline is due to breakage of water film continuity causing in turn solute diffusion limitations in dry conditions. However, this hypothesis appears to be at odds with what is known about soil hydraulic properties. Water film continuity estimated from soil water retention (SWR) measurements at the 'Darcy' scale breaks at far less negative water potential (micro-level relevant to microbial activity. Such downscaling resolves the inconsistency between respiration thresholds and hydrological thresholds. This result, together with observations of residual microbial activity well below -15 MPa (dashed back curve in Figure), lends support to the hypothesis that soil microbes are substrate-limited in dry conditions.
Simple Recovery of Intracellular Gold Nanoparticles from Peanut Seedling Roots.

Science.gov (United States)

Raju, D; Mehta, Urmil J; Ahmad, Absar

2015-02-01

Fabrication of inorganic nanomaterials via a biological route witnesses the formation either extracellularly, intracellulary or both. Whereas extracellular formation of these nanomaterials is cherished owing to their easy and economical extraction and purification processes; the intracellular formation of nanomaterials, due to the lack of a proper recovery protocol has always been dreaded, as the extraction processes used so far were tedious, costly, time consuming and often resulting in very low recovery. The aim of the present study was to overcome the problems related with the extraction and recovery of intracellularly synthesized inorganic nanoparticles, and to devise a method to increasing the output, the shape, size, composition and dispersal of nanoparticles is not altered. Water proved to be much better system as it provided well dispersed, stable gold nanoparticles and higher recovery. This is the first report, where intracellular nanoparticles have been recovered using a very cost-effective and eco-friendly approach.
Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity

Energy Technology Data Exchange (ETDEWEB)

Song, Chenchen; Martínez, Todd J. [Department of Chemistry and the PULSE Institute, Stanford University, Stanford, California 94305 (United States); SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States)

2016-05-07

We present a tensor hypercontracted (THC) scaled opposite spin second order Møller-Plesset perturbation theory (SOS-MP2) method. By using THC, we reduce the formal scaling of SOS-MP2 with respect to molecular size from quartic to cubic. We achieve further efficiency by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs) to accelerate integral construction and matrix multiplication. The practical scaling of GPU-accelerated atomic orbital-based THC-SOS-MP2 calculations is found to be N{sup 2.6} for reference data sets of water clusters and alanine polypeptides containing up to 1600 basis functions. The errors in correlation energy with respect to density-fitting-SOS-MP2 are less than 0.5 kcal/mol for all systems tested (up to 162 atoms).
Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity.

Science.gov (United States)

Song, Chenchen; Martínez, Todd J

2016-05-07

We present a tensor hypercontracted (THC) scaled opposite spin second order Møller-Plesset perturbation theory (SOS-MP2) method. By using THC, we reduce the formal scaling of SOS-MP2 with respect to molecular size from quartic to cubic. We achieve further efficiency by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs) to accelerate integral construction and matrix multiplication. The practical scaling of GPU-accelerated atomic orbital-based THC-SOS-MP2 calculations is found to be N(2.6) for reference data sets of water clusters and alanine polypeptides containing up to 1600 basis functions. The errors in correlation energy with respect to density-fitting-SOS-MP2 are less than 0.5 kcal/mol for all systems tested (up to 162 atoms).
Virtual water trade and time scales for loss of water sustainability: a comparative regional analysis.

Science.gov (United States)

Goswami, Prashant; Nishad, Shiv Narayan

2015-03-20

Assessment and policy design for sustainability in primary resources like arable land and water need to adopt long-term perspective; even small but persistent effects like net export of water may influence sustainability through irreversible losses. With growing consumption, this virtual water trade has become an important element in the water sustainability of a nation. We estimate and contrast the virtual (embedded) water trades of two populous nations, India and China, to present certain quantitative measures and time scales. Estimates show that export of embedded water alone can lead to loss of water sustainability. With the current rate of net export of water (embedded) in the end products, India is poised to lose its entire available water in less than 1000 years; much shorter time scales are implied in terms of water for production. The two cases contrast and exemplify sustainable and non-sustainable virtual water trade in long term perspective.
Quantum information with Rydberg atoms

DEFF Research Database (Denmark)

Saffman, Mark; Walker, T.G.; Mølmer, Klaus

2010-01-01

Rydberg atoms with principal quantum number n»1 have exaggerated atomic properties including dipole-dipole interactions that scale as n4 and radiative lifetimes that scale as n3. It was proposed a decade ago to take advantage of these properties to implement quantum gates between neutral atom...... of multiqubit registers, implementation of robust light-atom quantum interfaces, and the potential for simulating quantum many-body physics. The advances of the last decade are reviewed, covering both theoretical and experimental aspects of Rydberg-mediated quantum information processing....
Scaling analysis of cloud and rain water in marine stratocumulus and implications for scale-aware microphysical parameterizations

Science.gov (United States)

Witte, M.; Morrison, H.; Jensen, J. B.; Bansemer, A.; Gettelman, A.

2017-12-01

The spatial covariance of cloud and rain water (or in simpler terms, small and large drops, respectively) is an important quantity for accurate prediction of the accretion rate in bulk microphysical parameterizations that account for subgrid variability using assumed probability density functions (pdfs). Past diagnoses of this covariance from remote sensing, in situ measurements and large eddy simulation output have implicitly assumed that the magnitude of the covariance is insensitive to grain size (i.e. horizontal resolution) and averaging length, but this is not the case because both cloud and rain water exhibit scale invariance across a wide range of scales - from tens of centimeters to tens of kilometers in the case of cloud water, a range that we will show is primarily limited by instrumentation and sampling issues. Since the individual variances systematically vary as a function of spatial scale, it should be expected that the covariance follows a similar relationship. In this study, we quantify the scaling properties of cloud and rain water content and their covariability from high frequency in situ aircraft measurements of marine stratocumulus taken over the southeastern Pacific Ocean aboard the NSF/NCAR C-130 during the VOCALS-REx field experiment of October-November 2008. First we confirm that cloud and rain water scale in distinct manners, indicating that there is a statistically and potentially physically significant difference in the spatial structure of the two fields. Next, we demonstrate that the covariance is a strong function of spatial scale, which implies important caveats regarding the ability of limited-area models with domains smaller than a few tens of kilometers across to accurately reproduce the spatial organization of precipitation. Finally, we present preliminary work on the development of a scale-aware parameterization of cloud-rain water subgrid covariability based in multifractal analysis intended for application in large-scale model
Multiobjective optimization of cluster-scale urban water systems investigating alternative water sources and level of decentralization

Science.gov (United States)

Newman, J. P.; Dandy, G. C.; Maier, H. R.

2014-10-01

In many regions, conventional water supplies are unable to meet projected consumer demand. Consequently, interest has arisen in integrated urban water systems, which involve the reclamation or harvesting of alternative, localized water sources. However, this makes the planning and design of water infrastructure more difficult, as multiple objectives need to be considered, water sources need to be selected from a number of alternatives, and end uses of these sources need to be specified. In addition, the scale at which each treatment, collection, and distribution network should operate needs to be investigated. In order to deal with this complexity, a framework for planning and designing water infrastructure taking into account integrated urban water management principles is presented in this paper and applied to a rural greenfield development. Various options for water supply, and the scale at which they operate were investigated in order to determine the life-cycle trade-offs between water savings, cost, and GHG emissions as calculated from models calibrated using Australian data. The decision space includes the choice of water sources, storage tanks, treatment facilities, and pipes for water conveyance. For each water system analyzed, infrastructure components were sized using multiobjective genetic algorithms. The results indicate that local water sources are competitive in terms of cost and GHG emissions, and can reduce demand on the potable system by as much as 54%. Economies of scale in treatment dominated the diseconomies of scale in collection and distribution of water. Therefore, water systems that connect large clusters of households tend to be more cost efficient and have lower GHG emissions. In addition, water systems that recycle wastewater tended to perform better than systems that captured roof-runoff. Through these results, the framework was shown to be effective at identifying near optimal trade-offs between competing objectives, thereby enabling
Comparative Criticality Analysis of Two Monte Carlo Codes on Centrifugal Atomizer: MCNPS and SCALE

International Nuclear Information System (INIS)

Kang, H-S; Jang, M-S; Kim, S-R; Park, J-M; Kim, K-N

2015-01-01

There are two well-known Monte Carlo codes for criticality analysis, MCNP5 and SCALE. MCNP5 is a general-purpose Monte Carlo N-Particle code that can be used for neutron, photon, electron or coupled neutron / photon / electron transport, including the capability to calculate eigenvalues for critical system as a main analysis code. SCALE provides a comprehensive, verified and validated, user-friendly tool set for criticality safety, reactor physics, radiation shielding, radioactive source term characterization, and sensitivity and uncertainty analysis. SCALE was conceived and funded by US NRC to perform standardized computer analysis for licensing evaluation and is used widely in the world. We performed a validation test of MCNP5 and a comparative analysis of Monte Carlo codes, MCNP5 and SCALE, in terms of the critical analysis of centrifugal atomizer. In the criticality analysis using MCNP5 code, we obtained the statistically reliable results by using a large number of source histories per cycle and performing of uncertainty analysis
Comparative Criticality Analysis of Two Monte Carlo Codes on Centrifugal Atomizer: MCNPS and SCALE

Energy Technology Data Exchange (ETDEWEB)

Kang, H-S; Jang, M-S; Kim, S-R [NESS, Daejeon (Korea, Republic of); Park, J-M; Kim, K-N [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2015-10-15

There are two well-known Monte Carlo codes for criticality analysis, MCNP5 and SCALE. MCNP5 is a general-purpose Monte Carlo N-Particle code that can be used for neutron, photon, electron or coupled neutron / photon / electron transport, including the capability to calculate eigenvalues for critical system as a main analysis code. SCALE provides a comprehensive, verified and validated, user-friendly tool set for criticality safety, reactor physics, radiation shielding, radioactive source term characterization, and sensitivity and uncertainty analysis. SCALE was conceived and funded by US NRC to perform standardized computer analysis for licensing evaluation and is used widely in the world. We performed a validation test of MCNP5 and a comparative analysis of Monte Carlo codes, MCNP5 and SCALE, in terms of the critical analysis of centrifugal atomizer. In the criticality analysis using MCNP5 code, we obtained the statistically reliable results by using a large number of source histories per cycle and performing of uncertainty analysis.
Water flow at all scales

DEFF Research Database (Denmark)

Sand-Jensen, K.

2006-01-01

Continuous water fl ow is a unique feature of streams and distinguishes them from all other ecosystems. The main fl ow is always downstream but it varies in time and space and can be diffi cult to measure and describe. The interest of hydrologists, geologists, biologists and farmers in water fl ow......, and its physical impact, depends on whether the main focus is on the entire stream system, the adjacent fi elds, the individual reaches or the habitats of different species. It is important to learn how to manage fl ow at all scales, in order to understand the ecology of streams and the biology...
Atomic scale simulations of hydrogen implantation defects in hydrogen implanted silicon - smart Cut technology

International Nuclear Information System (INIS)

Bilteanu, L.

2010-12-01

The topic of this thesis is related to the implantation step of the SmartCut TM technology. This technology uses hydrogen in order to transfer silicon layers on insulating substrates. The transfer is performed through a fracture induced by the formation of bidimensional defects well known in literature as 'platelets'. More exactly, we have studied within this thesis work the defects appearing in the post implant state and the evolution of the implantation damage towards a state dominated by platelets. The study is organised into two parts: in the first part we present the results obtained by atomic scale simulations while in the second part we present an infrared spectroscopy study of the evolution of defects concentrations after annealing at different temperatures. The atomic scale simulations have been performed within the density functional theory and they allowed us to compute the formation energies and the migration and recombination barriers. The defects included in our study are: the atomic and diatomic interstitials, the hydrogenated vacancies and multi-vacancies and the several platelets models. The obtained energies allowed us to build a stability hierarchy for these types of defects. This scheme has been confronted with some infrared analysis on hydrogen implanted silicon samples (37 keV) in a sub-dose regime which does not allow usually the formation of platelets during the implantation step. The analysis of the infrared data allowed the detailed description of the defects concentration based on the behaviour of peaks corresponding to the respective defects during annealing. The comparison between these evolutions and the energy scheme obtained previously allowed the validation of an evolution scenario of defects towards the platelet state. (author)

Multi-scale graph-cut algorithm for efficient water-fat separation.

Science.gov (United States)

Berglund, Johan; Skorpil, Mikael

2017-09-01

To improve the accuracy and robustness to noise in water-fat separation by unifying the multiscale and graph cut based approaches to B 0 -correction. A previously proposed water-fat separation algorithm that corrects for B 0 field inhomogeneity in 3D by a single quadratic pseudo-Boolean optimization (QPBO) graph cut was incorporated into a multi-scale framework, where field map solutions are propagated from coarse to fine scales for voxels that are not resolved by the graph cut. The accuracy of the single-scale and multi-scale QPBO algorithms was evaluated against benchmark reference datasets. The robustness to noise was evaluated by adding noise to the input data prior to water-fat separation. Both algorithms achieved the highest accuracy when compared with seven previously published methods, while computation times were acceptable for implementation in clinical routine. The multi-scale algorithm was more robust to noise than the single-scale algorithm, while causing only a small increase (+10%) of the reconstruction time. The proposed 3D multi-scale QPBO algorithm offers accurate water-fat separation, robustness to noise, and fast reconstruction. The software implementation is freely available to the research community. Magn Reson Med 78:941-949, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.
DUSEL Facility Cooling Water Scaling Issues

Energy Technology Data Exchange (ETDEWEB)

Daily, W D

2011-04-05

Precipitation (crystal growth) in supersaturated solutions is governed by both kenetic and thermodynamic processes. This is an important and evolving field of research, especially for the petroleum industry. There are several types of precipitates including sulfate compounds (ie. barium sulfate) and calcium compounds (ie. calcium carbonate). The chemical makeup of the mine water has relatively large concentrations of sulfate as compared to calcium, so we may expect that sulfate type reactions. The kinetics of calcium sulfate dihydrate (CaSO4 {center_dot} 2H20, gypsum) scale formation on heat exchanger surfaces from aqueous solutions has been studied by a highly reproducible technique. It has been found that gypsum scale formation takes place directly on the surface of the heat exchanger without any bulk or spontaneous precipitation in the reaction cell. The kinetic data also indicate that the rate of scale formation is a function of surface area and the metallurgy of the heat exchanger. As we don't have detailed information about the heat exchanger, we can only infer that this will be an issue for us. Supersaturations of various compounds are affected differently by temperature, pressure and pH. Pressure has only a slight affect on the solubility, whereas temperature is a much more sensitive parameter (Figure 1). The affect of temperature is reversed for calcium carbonate and barium sulfate solubilities. As temperature increases, barium sulfate solubility concentrations increase and scaling decreases. For calcium carbonate, the scaling tendencies increase with increasing temperature. This is all relative, as the temperatures and pressures of the referenced experiments range from 122 to 356 F. Their pressures range from 200 to 4000 psi. Because the cooling water system isn't likely to see pressures above 200 psi, it's unclear if this pressure/scaling relationship will be significant or even apparent. The most common scale minerals found in the
The low-temperature water-water reactor for district heating atomic power plant (DHPP)

International Nuclear Information System (INIS)

Skvortsov, S.A.; Sokolov, I.N.; Krauze, L.V.; Nikiporetz, Yu.G.; Philimonov, Yu.V.

1977-01-01

The district heating atomic power plant in the article is distinguished by the increased reliability and safety of operation that was provided by the use of following main principles: relatively low parameters of the coolant; the intergral arrangement of equipment and accordingly the minimum branching of the reactor circuit; the natural circulation of coolant of the primary circuit in the steady-state, transient and emergency regimes of reactor operation; the considerable reserves of cold water of the primary circuit in the reactor vessel, providing the emergency cooling; the application of two shells each of which is designed for the total working pressure, the second shell is made of prestressed reinforced concrete that eliminates its brittle failure. (M.S.)
Atomic Scale Structure-Chemistry Relationships at Oxide Catalyst Surfaces and Interfaces

Science.gov (United States)

McBriarty, Martin E.

Oxide catalysts are integral to chemical production, fuel refining, and the removal of environmental pollutants. However, the atomic-scale phenomena which lead to the useful reactive properties of catalyst materials are not sufficiently understood. In this work, the tools of surface and interface science and electronic structure theory are applied to investigate the structure and chemical properties of catalytically active particles and ultrathin films supported on oxide single crystals. These studies focus on structure-property relationships in vanadium oxide, tungsten oxide, and mixed V-W oxides on the surfaces of alpha-Al2O3 and alpha-Fe2O 3 (0001)-oriented single crystal substrates, two materials with nearly identical crystal structures but drastically different chemical properties. In situ synchrotron X-ray standing wave (XSW) measurements are sensitive to changes in the atomic-scale geometry of single crystal model catalyst surfaces through chemical reaction cycles, while X-ray photoelectron spectroscopy (XPS) reveals corresponding chemical changes. Experimental results agree with theoretical calculations of surface structures, allowing for detailed electronic structure investigations and predictions of surface chemical phenomena. The surface configurations and oxidation states of V and W are found to depend on the coverage of each, and reversible structural shifts accompany chemical state changes through reduction-oxidation cycles. Substrate-dependent effects suggest how the choice of oxide support material may affect catalytic behavior. Additionally, the structure and chemistry of W deposited on alpha-Fe 2O3 nanopowders is studied using X-ray absorption fine structure (XAFS) measurements in an attempt to bridge single crystal surface studies with real catalysts. These investigations of catalytically active material surfaces can inform the rational design of new catalysts for more efficient and sustainable chemistry.
Periodic order and defects in Ni-based inverse opal-like crystals on the mesoscopic and atomic scale

NARCIS (Netherlands)

Chumakova, A. V.; Valkovskiy, G. A.; Mistonov, A. A.; Dyadkin, V. A.; Grigoryeva, N. A.; Sapoletova, N. A.; Napolskii, K. S.; Eliseev, A. A.; Petukhov, Andrei V.; Grigoriev, S. V.

2014-01-01

The structure of inverse opal crystals based on nickel was probed on the mesoscopic and atomic levels by a set of complementary techniques such as scanning electron microscopy and synchrotron microradian and wide-angle diffraction. The microradian diffraction revealed the mesoscopic-scale
Water content estimated from point scale to plot scale

Science.gov (United States)

Akyurek, Z.; Binley, A. M.; Demir, G.; Abgarmi, B.

2017-12-01

Soil moisture controls the portioning of rainfall into infiltration and runoff. Here we investigate measurements of soil moisture using a range of techniques spanning different spatial scales. In order to understand soil water content in a test basin, 512 km2 in area, in the south of Turkey, a Cosmic Ray CRS200B soil moisture probe was installed at elevation of 1459 m and an ML3 ThetaProbe (CS 616) soil moisture sensor was established at 5cm depth used to get continuous soil moisture. Neutron count measurements were corrected for the changes in atmospheric pressure, atmospheric water vapour and intensity of incoming neutron flux. The calibration of the volumetric soil moisture was performed, from the laboratory analysis, the bulk density varies between 1.719 (g/cm3) -1.390 (g/cm3), and the dominant soil texture is silty clay loam and silt loamThe water content reflectometer was calibrated for soil-specific conditions and soil moisture estimates were also corrected with respect to soil temperature. In order to characterize the subsurface, soil electrical resistivity tomography was used. Wenner and Schlumberger array geometries were used with electrode spacing varied from 1m- 5 m along 40 m and 200 m profiles. From the inversions of ERT data it is apparent that within 50 m distance from the CRS200B, the soil is moderately resistive to a depth of 2m and more conductive at greater depths. At greater distances from the CRS200B, the ERT results indicate more resistive soils. In addition to the ERT surveys, ground penetrating radar surveys using a common mid-point configuration was used with 200MHz antennas. The volumetric soil moisture obtained from GPR appears to overestimate those based on TDR observations. The values obtained from CS616 (at a point scale) and CRS200B (at a mesoscale) are compared with the values obtained at a plot scale. For the field study dates (20-22.06.2017) the volumetric moisture content obtained from CS616 were 25.14%, 25.22% and 25
Two-dimensional nanowires on homoepitaxial interfaces: Atomic-scale mechanism of breakdown and disintegration

Science.gov (United States)

Michailov, Michail; Ranguelov, Bogdan

2018-03-01

We present a model for hole-mediated spontaneous breakdown of ahomoepitaxial two-dimensional (2D) flat nanowire based exclusively on random, thermally-activated motion of atoms. The model suggests a consecutive three-step mechanism driving the rupture and complete disintegration of the nanowire on a crystalline surface. The breakdown scenario includes: (i) local narrowing of a part of the stripe to a monatomic chain, (ii) formation of a recoverable single vacancy or a 2D vacancy cluster that causes temporary nanowire rupture, (iii) formation of a non-recoverable 2D hole leading to permanent nanowire breakdown. These successive events in the temporal evolution of the nanowire morphology bring the nanowire stripe into an irreversible unstable state, leading to a dramatic change in its peculiar physical properties and conductivity. The atomistic simulations also reveal a strong increase of the nanowire lifetime with an enlargement of its width and open up a way for a fine atomic-scale control of the nanowire lifetime and structural, morphological and thermodynamic stability.
Atomic scale imaging of competing polar states in a Ruddlesden–Popper layered oxide

Science.gov (United States)

Stone, Greg; Ophus, Colin; Birol, Turan; Ciston, Jim; Lee, Che-Hui; Wang, Ke; Fennie, Craig J.; Schlom, Darrell G.; Alem, Nasim; Gopalan, Venkatraman

2016-01-01

Layered complex oxides offer an unusually rich materials platform for emergent phenomena through many built-in design knobs such as varied topologies, chemical ordering schemes and geometric tuning of the structure. A multitude of polar phases are predicted to compete in Ruddlesden–Popper (RP), An+1BnO3n+1, thin films by tuning layer dimension (n) and strain; however, direct atomic-scale evidence for such competing states is currently absent. Using aberration-corrected scanning transmission electron microscopy with sub-Ångstrom resolution in Srn+1TinO3n+1 thin films, we demonstrate the coexistence of antiferroelectric, ferroelectric and new ordered and low-symmetry phases. We also directly image the atomic rumpling of the rock salt layer, a critical feature in RP structures that is responsible for the competing phases; exceptional quantitative agreement between electron microscopy and density functional theory is demonstrated. The study shows that layered topologies can enable multifunctionality through highly competitive phases exhibiting diverse phenomena in a single structure. PMID:27578622
Atomic scale imaging of competing polar states in a Ruddlesden-Popper layered oxide.

Science.gov (United States)

Stone, Greg; Ophus, Colin; Birol, Turan; Ciston, Jim; Lee, Che-Hui; Wang, Ke; Fennie, Craig J; Schlom, Darrell G; Alem, Nasim; Gopalan, Venkatraman

2016-08-31

Layered complex oxides offer an unusually rich materials platform for emergent phenomena through many built-in design knobs such as varied topologies, chemical ordering schemes and geometric tuning of the structure. A multitude of polar phases are predicted to compete in Ruddlesden-Popper (RP), An+1BnO3n+1, thin films by tuning layer dimension (n) and strain; however, direct atomic-scale evidence for such competing states is currently absent. Using aberration-corrected scanning transmission electron microscopy with sub-Ångstrom resolution in Srn+1TinO3n+1 thin films, we demonstrate the coexistence of antiferroelectric, ferroelectric and new ordered and low-symmetry phases. We also directly image the atomic rumpling of the rock salt layer, a critical feature in RP structures that is responsible for the competing phases; exceptional quantitative agreement between electron microscopy and density functional theory is demonstrated. The study shows that layered topologies can enable multifunctionality through highly competitive phases exhibiting diverse phenomena in a single structure.
Atomic and molecular dynamics triggered by ultrashort light pulses on the atto- to picosecond time scale

Science.gov (United States)

Pabst, Stefan

2013-04-01

Time-resolved investigations of ultrafast electronic and molecular dynamics were not possible until recently. The typical time scale of these processes is in the picosecond to attosecond realm. The tremendous technological progress in recent years made it possible to generate ultrashort pulses, which can be used to trigger, to watch, and to control atomic and molecular motion. This tutorial focuses on experimental and theoretical advances which are used to study the dynamics of electrons and molecules in the presence of ultrashort pulses. In the first part, the rotational dynamics of molecules, which happens on picosecond and femtosecond time scales, is reviewed. Well-aligned molecules are particularly suitable for angle-dependent investigations like x-ray diffraction or strong-field ionization experiments. In the second part, the ionization dynamics of atoms is studied. The characteristic time scale lies, here, in the attosecond to few-femtosecond regime. Although a one-particle picture has been successfully applied to many processes, many-body effects do constantly occur. After a broad overview of the main mechanisms and the most common tools in attosecond physics, examples of many-body dynamics in the attosecond world (e.g., in high-harmonic generation and attosecond transient absorption spectroscopy) are discussed.
Temporal and Spatial Scales of Labrador Sea Water Formation

Science.gov (United States)

Clarke, R. A.

1984-01-01

Labrador Sea Water is an intermediate water found at the same density and depth range in the North Atlantic as the Mediterranean water. It is formed by convection from the sea surface to depths greather than 2 km in winter in the Western Labrador Sea. The processes leading to deep convection begin with the formation of a 200 km scale cyclonic circulation about denser than average upper layer water in the Western Labrador Sea. This circulation pattern is hypothesized to be driven by an ocean/atmosphere heat exchange that has its maximum in this region. By early March, if deep convection is taking place, one sees that this body of denser upper waters penetrates to the top of the deep temperature/salinity maximum marking the core of the North Atlantic Deep Water. We note that the horizontal scale of this body is still 100-200 km normal to the coastline.
Linear correlation of interfacial tension at water-solvent interface, solubility of water in organic solvents, and SE* scale parameters

International Nuclear Information System (INIS)

Mezhov, E.A.; Khananashvili, N.L.; Shmidt, V.S.

1988-01-01

A linear correlation has been established between the solubility of water in water-immiscible organic solvents and the interfacial tension at the water-solvent interface on the one hand and the parameters of the SE* and π* scales for these solvents on the other hand. This allows us, using the known tabulated SE* or π* parameters for each solvent, to predict the values of the interfacial tension and the solubility of water for the corresponding systems. We have shown that the SE* scale allows us to predict these values more accurately than other known solvent scales, since in contrast to other scales it characterizes solvents found in equilibrium with water
Determination of traces of silver in waters by anion exchange and atomic absorption spectrophotometry

Science.gov (United States)

Chao, T.T.; Fishman, M. J.; Ball, J.W.

1969-01-01

A method has been developed for the accurate determination of 0.1-1 ??g of silver per liter of water. The method permits stabilization of silver in water without loss to container walls. Optimum conditions have been established for the complete recovery of silver from water with an anion-exchange column, for quantitative elution of silver from the resin, and for measurement of silver by atomic absorption spectrophotometry after chelation with ammonium pyrrolidine dithiocarbamate and extraction of the chelate with MIBK. Silver in the 1-10 ??g 1 range can be determined by extraction without pre-concentration on an ion-exchange resin. ?? 1969.
Electrical charging characteristics of the hetero layer film for reducing water-borne paint contamination in electrostatic rotary atomizers

Energy Technology Data Exchange (ETDEWEB)

Yamada, Y.; Imanishi, T.; Yoshida, O.; Mizuno, A. [ABB Japan, Tokyo (Japan)

2010-07-01

The electrostatic rotary atomizer is the most efficient of all liquid spray painting methods. Its use minimizes the waste of paint and reduces emissions of volatile organic compounds (VOCs). Water-borne painting processes which use water-soluble paint also reduce VOC emissions, but the atomizer body is easily contaminated by the paint mists. The Institute of Electrical and Electronics Engineers (IEEE) considered the causes of water-borne paint contamination and presented the experimental results of a contamination proof system in which the atomizer is surrounded by the repelling film that is charged and repels the incoming paint droplets. Among the key factors for repelling film were electrical properties, such as low capacitance and high insulation to keep high surface potential. Charging uniformity was found to be among the most important characteristic to avoid contamination. The pulse electro-acoustic (PEA) method was used to check these features using space charge measurements inside the repelling film. It was concluded that hetero layer films have more uniform charging characteristics than single layer films.
Intracellular ROS protection efficiency and free radical-scavenging activity of curcumin.

Directory of Open Access Journals (Sweden)

Abolfazl Barzegar

Full Text Available Curcumin has many pharmaceutical applications, many of which arise from its potent antioxidant properties. The present research examined the antioxidant activities of curcumin in polar solvents by a comparative study using ESR, reduction of ferric iron in aqueous medium and intracellular ROS/toxicity assays. ESR data indicated that the steric hindrance among adjacent big size groups within a galvinoxyl molecule limited the curcumin to scavenge galvinoxyl radicals effectively, while curcumin showed a powerful capacity for scavenging intracellular smaller oxidative molecules such as H₂O₂, HO•, ROO•. Cell viability and ROS assays demonstrated that curcumin was able to penetrate into the polar medium inside the cells and to protect them against the highly toxic and lethal effects of cumene hydroperoxide. Curcumin also showed good electron-transfer capability, with greater activity than trolox in aqueous solution. Curcumin can readily transfer electron or easily donate H-atom from two phenolic sites to scavenge free radicals. The excellent electron transfer capability of curcumin is because of its unique structure and different functional groups, including a β-diketone and several π electrons that have the capacity to conjugate between two phenyl rings. Therfore, since curcumin is inherently a lipophilic compound, because of its superb intracellular ROS scavenging activity, it can be used as an effective antioxidant for ROS protection within the polar cytoplasm.
Polymeric Materials For Scale Inhibition In Cooling Water Systems

Directory of Open Access Journals (Sweden)

Najwa S.Majeed

2013-04-01

Full Text Available Calcium carbonate deposition is generally predominant in cooling water-circulating system. For the control of calcium carbonate scale formation two types of polymeric scale inhibitors were used Polyamino polyether methylene phosphonate (PAPEMPand polyacrylaminde(PAA.Model of cooling tower system have been built up in laboratory scale. Experiments were carried out using different inhibitor concentrations(0.5,1,1.5,2,3ppm ,at water temperature of 40oC and flow rate of 150 l/hr. It was found that Polyamino polyether methylene phosphonate more effective than polyacryle amide' as scale inhibitor in all used concentrations and the best inhibition efficiency (95% was at (2.5ppm of Polyamino polyether methylene phosphonate and (85% with poly acryle amide at concentrations of (3 ppm. The performance of the polymeric scale inhibitors was compared with a method used to control heavy calcium carbonate scale forming by the deposition of sufficiently thin protective calcium carbonate scale using sulfuric acid and depending on Ryznar stability index controlling method.
Atomic-Scale Characterization and Manipulation of Freestanding Graphene Using Adapted Capabilities of a Scanning Tunneling Microscope

Science.gov (United States)

Barber, Steven

Graphene was the first two-dimensional material ever discovered, and it exhibits many unusual phenomena important to both pure and applied physics. To ensure the purest electronic structure, or to study graphene's elastic properties, it is often suspended over holes or trenches in a substrate. The aim of the research presented in this dissertation was to develop methods for characterizing and manipulating freestanding graphene on the atomic scale using a scanning tunneling microscope (STM). Conventional microscopy and spectroscopy techniques must be carefully reconsidered to account for movement of the extremely flexible sample. First, the acquisition of atomic-scale images of freestanding graphene using the STM and the ability to pull the graphene perpendicular to its plane by applying an electrostatic force with the STM tip are demonstrated. The atomic-scale images contained surprisingly large corrugations due to the electrostatic attractive force varying in registry with the local density of states. Meanwhile, a large range of control over the graphene height at a point was obtained by varying the tip bias voltage, and the application to strain engineering of graphene's so-called pseudomagnetic field is examined. Next, the effect of the tunneling current was investigated. With increasing current, the graphene sample moves away from the tip rather than toward it. It was determined that this must be due to local heating by the electric current, causing the graphene to contract because it has a negative coefficient of thermal expansion. Finally, by imaging a very small area, the STM can monitor the height of one location over long time intervals. Results sometimes exhibit periodic behavior, with a frequency and amplitude that depend on the tunneling current. These fluctuations are interpreted as low-frequency flexural phonon modes within elasticity theory. All of these findings set the foundation for employing a STM in the study of freestanding graphene.
A study of atomic interaction between suspended nanoparticles and sodium atoms in liquid sodium

International Nuclear Information System (INIS)

Saito, Jun-ichi; Ara, Kuniaki

2010-01-01

A feasibility study of suppression of the chemical reactivity of sodium itself using an atomic interaction between nanoparticles and sodium atoms has been carried out. We expected that the atomic interaction strengthens when the nanoparticle metal is the transition element which has a major difference in electronegativity from sodium. We also calculated the atomic interaction between nanoparticle and sodium atoms. It became clear that the atomic bond between the nanoparticle atom and the sodium atom is larger than that between sodium atoms, and the charge transfer takes place to the nanoparticle atom from the sodium atom. Using sodium with suspended nanoparticles, the fundamental physical properties related to the atomic interaction were investigated to verify the atomic bond. The surface tension of sodium with suspended nanoparticles increased, and the evaporation rate of sodium with suspended nanoparticles also decreased compared with that of sodium. Therefore the presence of the atomic interaction between nanoparticles and sodium was verified from these experiments. Because the fundamental physical property changes by the atomic interaction, we expected changes in the chemical reactivity characteristics. The chemical reaction properties of sodium with suspended nanoparticles with water were investigated experimentally. The released reaction heat and the reaction rate of sodium with suspended nanoparticles were reduced than those of sodium. The influence of the charge state of nanoparticle on the chemical process with water was theoretically investigated to speculate on the cause of reaction suppression. The potential energy in both primary and side reactions changed by the charge transfer, and the free energy of activation of the reaction with water increased. Accordingly, the reaction barrier also increased. This suggests there is a possibility of the reduction in the reaction of sodium by the suspension of nanoparticles. Consequently the possibility of the
Determination of calcium in Mashhad city tap water by flame atomic absorption spectrometry

International Nuclear Information System (INIS)

Mashhadian, N.V.

2012-01-01

Summary: Calcium in drinking water is one of the sources of calcium that may contribute significantly to the daily calcium intake. In this study, the samples of tap water were randomly taken from five zones of Mashhad city. Calcium concentration was determined by flame atomic absorption spectrometry (FAAS) technique. The precision of the method was evaluated. The CV% of 6 replicate determinations at 5 macro g/ml Ca was 4.2 in one day and 4.5, among 6 consecutive days. The recovery of spiked samples (98.7%) also showed that the proposed method is reliable for the determination of amounts of calcium in water samples. The mean of calcium in tap water in the city of Mashhad was 52.61+-12.91 (SD) macro g/ml. At present, the amount of calcium in Mashhad tap waters is within the national standard. However, due to the climate and environmental changes, determination of calcium in tap water of Mashhad in different seasons is recommended. (author)
Large-scale atomic calculations using variational methods

International Nuclear Information System (INIS)

Joensson, Per.

1995-01-01

Atomic properties, such as radiative lifetimes, hyperfine structures and isotope shift, have been studied both theoretically and experimentally. Computer programs which calculate these properties from multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) wave functions have been developed and tested. To study relativistic effects, a program which calculates hyperfine structures from multiconfiguration Dirac-Fock (MCDF) wave functions has also been written. A new method of dealing with radial non-orthogonalities in transition matrix elements has been investigated. This method allows two separate orbital sets to be used for the initial and final states, respectively. It is shown that, once the usual orthogonality restrictions have been overcome, systematic MCHF calculations are able to predict oscillator strengths in light atoms with high accuracy. In connection with recent high-power laser experiments, time-dependent calculations of the atomic response to intense laser fields have been performed. Using the frozen-core approximation, where the atom is modeled as an active electron moving in the average field of the core electrons and the nucleus, the active electron has been propagated in time under the influence of the laser field. Radiative lifetimes and hyperfine structures of excited states in sodium and silver have been experimentally determined using time-resolved laser spectroscopy. By recording the fluorescence light decay following laser excitation in the vacuum ultraviolet spectral region, the radiative lifetimes and hyperfine structures of the 7p 2 P states in silver have been measured. The delayed-coincidence technique has been used to make very accurate measurements of the radiative lifetimes and hyperfine structures of the lowest 2P states in sodium and silver. 77 refs, 2 figs, 14 tabs

Large-scale atomic calculations using variational methods

Energy Technology Data Exchange (ETDEWEB)

Joensson, Per

1995-01-01

Atomic properties, such as radiative lifetimes, hyperfine structures and isotope shift, have been studied both theoretically and experimentally. Computer programs which calculate these properties from multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) wave functions have been developed and tested. To study relativistic effects, a program which calculates hyperfine structures from multiconfiguration Dirac-Fock (MCDF) wave functions has also been written. A new method of dealing with radial non-orthogonalities in transition matrix elements has been investigated. This method allows two separate orbital sets to be used for the initial and final states, respectively. It is shown that, once the usual orthogonality restrictions have been overcome, systematic MCHF calculations are able to predict oscillator strengths in light atoms with high accuracy. In connection with recent high-power laser experiments, time-dependent calculations of the atomic response to intense laser fields have been performed. Using the frozen-core approximation, where the atom is modeled as an active electron moving in the average field of the core electrons and the nucleus, the active electron has been propagated in time under the influence of the laser field. Radiative lifetimes and hyperfine structures of excited states in sodium and silver have been experimentally determined using time-resolved laser spectroscopy. By recording the fluorescence light decay following laser excitation in the vacuum ultraviolet spectral region, the radiative lifetimes and hyperfine structures of the 7p{sup 2}P states in silver have been measured. The delayed-coincidence technique has been used to make very accurate measurements of the radiative lifetimes and hyperfine structures of the lowest 2P states in sodium and silver. 77 refs, 2 figs, 14 tabs.
Replicating the microbial community and water quality performance of full-scale slow sand filters in laboratory-scale filters.

Science.gov (United States)

Haig, Sarah-Jane; Quince, Christopher; Davies, Robert L; Dorea, Caetano C; Collins, Gavin

2014-09-15

Previous laboratory-scale studies to characterise the functional microbial ecology of slow sand filters have suffered from methodological limitations that could compromise their relevance to full-scale systems. Therefore, to ascertain if laboratory-scale slow sand filters (L-SSFs) can replicate the microbial community and water quality production of industrially operated full-scale slow sand filters (I-SSFs), eight cylindrical L-SSFs were constructed and were used to treat water from the same source as the I-SSFs. Half of the L-SSFs sand beds were composed of sterilized sand (sterile) from the industrial filters and the other half with sand taken directly from the same industrial filter (non-sterile). All filters were operated for 10 weeks, with the microbial community and water quality parameters sampled and analysed weekly. To characterize the microbial community phyla-specific qPCR assays and 454 pyrosequencing of the 16S rRNA gene were used in conjunction with an array of statistical techniques. The results demonstrate that it is possible to mimic both the water quality production and the structure of the microbial community of full-scale filters in the laboratory - at all levels of taxonomic classification except OTU - thus allowing comparison of LSSF experiments with full-scale units. Further, it was found that the sand type composing the filter bed (non-sterile or sterile), the water quality produced, the age of the filters and the depth of sand samples were all significant factors in explaining observed differences in the structure of the microbial consortia. This study is the first to the authors' knowledge that demonstrates that scaled-down slow sand filters can accurately reproduce the water quality and microbial consortia of full-scale slow sand filters. Copyright © 2014 Elsevier Ltd. All rights reserved.
Water Market-scale Agricultural Planning: Promoting Competing Water Resource Use Efficiency Through Agro-Economics

Science.gov (United States)

Delorit, J. D.; Block, P. J.

2017-12-01

Where strong water rights law and corresponding markets exist as a coupled econo-legal mechanism, water rights holders are permitted to trade allocations to promote economic water resource use efficiency. In locations where hydrologic uncertainty drives the assignment of annual per-water right allocation values by water resource managers, collaborative water resource decision making by water rights holders, specifically those involved in agricultural production, can result in both resource and economic Pareto efficiency. Such is the case in semi-arid North Chile, where interactions between representative farmer groups, treated as competitive bilateral monopolies, and modeled at water market-scale, can provide both price and water right allocation distribution signals for unregulated, temporary water right leasing markets. For the range of feasible per-water right allocation values, a coupled agricultural-economic model is developed to describe the equilibrium distribution of water, the corresponding market price of water rights and the net surplus generated by collaboration between competing agricultural uses. Further, this research describes a per-water right inflection point for allocations where economic efficiency is not possible, and where price negotiation among competing agricultural uses is required. An investigation of the effects of water right supply and demand inequality at the market-scale is completed to characterize optimal market performance under existing water rights law. The broader insights of this research suggest that water rights holders engaged in agriculture can achieve economic benefits from forming crop-type cooperatives and by accurately assessing the economic value of allocation.
Determination of ultratrace elements in natural waters by solid-phase extraction and atomic spectrometry methods.

Science.gov (United States)

Grotti, Marco; Abelmoschi, Maria Luisa; Soggia, Francesco; Frache, Roberto

2003-01-01

A study was carried out on the preconcentration of ultratrace amounts of cadmium, lead, manganese, copper and iron from high-salinity aqueous samples and determination by atomic spectrometry methods. Sample volume, amount of resin, loading flow rate, and elution volume were optimized in order to obtain the simultaneous preconcentration of all the analytes. Quantitative recoveries were obtained by using 200 mg of iminodiacetic resin with a loading flow rate of 2 mL min(-1), elution volume of 3 mL and sample volume of 50-450 mL. Only copper in seawater samples was not completely retained by the resin (60-70% recovery), due to unfavorable competition of iminodiacetic-active groups with organically bound metal.To quantify the metals in the eluates, two atomic spectrometry techniques were compared: electrothermal atomization atomic absorption spectrometry (ETAAS) and inductively coupled plasma-optical emission spectrometry (ICP-OES) with simultaneous CCD detection system. Both techniques are suitable for sample analysis with detection limits of 1.0, 4.7, 3.3, 6.8, and 53 ng L(-1) using ETAAS and 12, 122, 3.4, 17, and 21 ng L(-1) using ICP-OES for Cd, Pb, Mn, Cu, and Fe, respectively. Relative standard deviations of the procedures ranged from 1.7 to 14% at the sub-microg L(-1) concentration level. The accuracy of both methods was verified by analyzing various certified reference materials (river water, estuarine water, coastal and off-shore seawater).
Determination of ultratrace elements in natural waters by solid-phase extraction and atomic spectrometry methods

Energy Technology Data Exchange (ETDEWEB)

Grotti, Marco; Abelmoschi, Maria Luisa; Soggia, Francesco; Frache, Roberto [Department of Chemistry and Industrial Chemistry, University of Genoa, Via Dodecaneso, 31-16146, Genoa (Italy)

2003-01-01

A study was carried out on the preconcentration of ultratrace amounts of cadmium, lead, manganese, copper and iron from high-salinity aqueous samples and determination by atomic spectrometry methods. Sample volume, amount of resin, loading flow rate, and elution volume were optimized in order to obtain the simultaneous preconcentration of all the analytes. Quantitative recoveries were obtained by using 200 mg of iminodiacetic resin with a loading flow rate of 2 mL min{sup -1}, elution volume of 3 mL and sample volume of 50-450 mL. Only copper in seawater samples was not completely retained by the resin (60-70% recovery), due to unfavorable competition of iminodiacetic-active groups with organically bound metal.To quantify the metals in the eluates, two atomic spectrometry techniques were compared: electrothermal atomization atomic absorption spectrometry (ETAAS) and inductively coupled plasma-optical emission spectrometry (ICP-OES) with simultaneous CCD detection system. Both techniques are suitable for sample analysis with detection limits of 1.0, 4.7, 3.3, 6.8, and 53 ng L{sup -1} using ETAAS and 12, 122, 3.4, 17, and 21 ng L{sup -1} using ICP-OES for Cd, Pb, Mn, Cu, and Fe, respectively. Relative standard deviations of the procedures ranged from 1.7 to 14% at the sub-{mu}g L{sup -1} concentration level. The accuracy of both methods was verified by analyzing various certified reference materials (river water, estuarine water, coastal and off-shore seawater). (orig.)
Atomic-scale nanoindentation: detection and identification of single glide events in three dimensions by force microscopy

International Nuclear Information System (INIS)

Egberts, P; Bennewitz, R

2011-01-01

Indentation experiments on the nanometre scale have been performed by means of atomic force microscopy in ultra-high vacuum on KBr(100) surfaces. The surfaces yield in the form of discrete surface displacements with a typical length scale of 1 A. These surface displacements are detected in both normal and lateral directions. Measurement of the lateral tip displacement requires a load-dependent calibration due to the load dependence of the effective lateral compliance. Correlation of the lateral and normal displacements for each glide event allow identification of the activated slip system. The results are discussed in terms of the resolved shear stress in indentation experiments and of typical results in atomistic simulations of nanometre-scale indentation.
Comparative Assessment of Heavy Metals in Drinking Water Sources in Two Small-Scale Mining Communities in Northern Ghana

Science.gov (United States)

Cobbina, Samuel J.; Duwiejuah, Abudu B.; Quansah, Reginald; Obiri, Samuel; Bakobie, Noel

2015-01-01

The study assessed levels of heavy metals in drinking water sources in two small-scale mining communities (Nangodi and Tinga) in northern Ghana. Seventy-two (72) water samples were collected from boreholes, hand dug wells, dug-out, and a stream in the two mining communities. The levels of mercury (Hg), arsenic (As), lead (Pb), zinc (Zn), and cadmium (Cd) were determined using an atomic absorption spectrophotometer (AAS). Mean levels (mg/l) of heavy metals in water samples from Nangodi and Tinga communities were 0.038 and 0.064 (Hg), 0.031 and 0.002 (As), 0.250 and 0.031 (Pb), 0.034 and 0.002 (Zn), and 0.534 and 0.023 (Cd), respectively, for each community. Generally, levels of Hg, As, Pb, Zn, and Cd in water from Nangodi exceeded the World Health Organisation (WHO) stipulated limits of 0.010 for Hg, As, and Pb, 3.0 for Zn and 0.003 for Cd for drinking water, and levels of Hg, Pb, and Cd recorded in Tinga, exceeded the stipulated WHO limits. Ingestion of water, containing elevated levels of Hg, As, and Cd by residents in these mining communities may pose significant health risks. Continuous monitoring of the quality of drinking water sources in these two communities is recommended. PMID:26343702
Comparative Assessment of Heavy Metals in Drinking Water Sources in Two Small-Scale Mining Communities in Northern Ghana

Directory of Open Access Journals (Sweden)

Samuel J. Cobbina

2015-08-01

Full Text Available The study assessed levels of heavy metals in drinking water sources in two small-scale mining communities (Nangodi and Tinga in northern Ghana. Seventy-two (72 water samples were collected from boreholes, hand dug wells, dug-out, and a stream in the two mining communities. The levels of mercury (Hg, arsenic (As, lead (Pb, zinc (Zn, and cadmium (Cd were determined using an atomic absorption spectrophotometer (AAS. Mean levels (mg/l of heavy metals in water samples from Nangodi and Tinga communities were 0.038 and 0.064 (Hg, 0.031 and 0.002 (As, 0.250 and 0.031 (Pb, 0.034 and 0.002 (Zn, and 0.534 and 0.023 (Cd, respectively, for each community. Generally, levels of Hg, As, Pb, Zn, and Cd in water from Nangodi exceeded the World Health Organisation (WHO stipulated limits of 0.010 for Hg, As, and Pb, 3.0 for Zn and 0.003 for Cd for drinking water, and levels of Hg, Pb, and Cd recorded in Tinga, exceeded the stipulated WHO limits. Ingestion of water, containing elevated levels of Hg, As, and Cd by residents in these mining communities may pose significant health risks. Continuous monitoring of the quality of drinking water sources in these two communities is recommended.
Comparative Assessment of Heavy Metals in Drinking Water Sources in Two Small-Scale Mining Communities in Northern Ghana.

Science.gov (United States)

Cobbina, Samuel J; Duwiejuah, Abudu B; Quansah, Reginald; Obiri, Samuel; Bakobie, Noel

2015-08-28

The study assessed levels of heavy metals in drinking water sources in two small-scale mining communities (Nangodi and Tinga) in northern Ghana. Seventy-two (72) water samples were collected from boreholes, hand dug wells, dug-out, and a stream in the two mining communities. The levels of mercury (Hg), arsenic (As), lead (Pb), zinc (Zn), and cadmium (Cd) were determined using an atomic absorption spectrophotometer (AAS). Mean levels (mg/l) of heavy metals in water samples from Nangodi and Tinga communities were 0.038 and 0.064 (Hg), 0.031 and 0.002 (As), 0.250 and 0.031 (Pb), 0.034 and 0.002 (Zn), and 0.534 and 0.023 (Cd), respectively, for each community. Generally, levels of Hg, As, Pb, Zn, and Cd in water from Nangodi exceeded the World Health Organisation (WHO) stipulated limits of 0.010 for Hg, As, and Pb, 3.0 for Zn and 0.003 for Cd for drinking water, and levels of Hg, Pb, and Cd recorded in Tinga, exceeded the stipulated WHO limits. Ingestion of water, containing elevated levels of Hg, As, and Cd by residents in these mining communities may pose significant health risks. Continuous monitoring of the quality of drinking water sources in these two communities is recommended.
Atomic-scale structural signature of dynamic heterogeneities in metallic liquids

Science.gov (United States)

Pasturel, Alain; Jakse, Noel

2017-08-01

With sufficiently high cooling rates, liquids will cross their equilibrium melting temperatures and can be maintained in a metastable undercooled state before solidifying. Studies of undercooled liquids reveal several intriguing dynamic phenomena and because explicit connections between liquid structure and liquids dynamics are difficult to identify, it remains a major challenge to capture the underlying structural link to these phenomena. Ab initio molecular dynamics (AIMD) simulations are yet especially powerful in providing atomic-scale details otherwise not accessible in experiments. Through the AIMD-based study of Cr additions in Al-based liquids, we evidence for the first time a close relationship between the decoupling of component diffusion and the emergence of dynamic heterogeneities in the undercooling regime. In addition, we demonstrate that the origin of both phenomena is related to a structural heterogeneity caused by a strong interplay between chemical short-range order (CSRO) and local fivefold topology (ISRO) at the short-range scale in the liquid phase that develops into an icosahedral-based medium-range order (IMRO) upon undercooling. Finally, our findings reveal that this structural signature is also captured in the temperature dependence of partial pair-distribution functions which opens up the route to more elaborated experimental studies.
Adsorption Energies of Carbon, Nitrogen, and Oxygen Atoms on the Low-temperature Amorphous Water Ice: A Systematic Estimation from Quantum Chemistry Calculations

Science.gov (United States)

Shimonishi, Takashi; Nakatani, Naoki; Furuya, Kenji; Hama, Tetsuya

2018-03-01

We propose a new simple computational model to estimate the adsorption energies of atoms and molecules to low-temperature amorphous water ice, and we present the adsorption energies of carbon (3 P), nitrogen (4 S), and oxygen (3 P) atoms based on quantum chemistry calculations. The adsorption energies were estimated to be 14,100 ± 420 K for carbon, 400 ± 30 K for nitrogen, and 1440 ± 160 K for oxygen. The adsorption energy of oxygen is consistent with experimentally reported values. We found that the binding of a nitrogen atom is purely physisorption, while that of a carbon atom is chemisorption, in which a chemical bond to an O atom of a water molecule is formed. That of an oxygen atom has a dual character, with both physisorption and chemisorption. The chemisorption of atomic carbon also implies the possibility of further chemical reactions to produce molecules bearing a C–O bond, though this may hinder the formation of methane on water ice via sequential hydrogenation of carbon atoms. These properties would have a large impact on the chemical evolution of carbon species in interstellar environments. We also investigated the effects of newly calculated adsorption energies on the chemical compositions of cold dense molecular clouds with the aid of gas-ice astrochemical simulations. We found that abundances of major nitrogen-bearing molecules, such as N2 and NH3, are significantly altered by applying the calculated adsorption energy, because nitrogen atoms can thermally diffuse on surfaces, even at 10 K.
Numerical atomic scale simulations of the microstructural evolution of ferritic alloys under irradiation

International Nuclear Information System (INIS)

Vincent, E.

2006-12-01

In this work, we have developed a model of point defect (vacancies and interstitials) diffusion whose aim is to simulate by kinetic Monte Carlo (KMC) the formation of solute rich clusters observed experimentally in irradiated FeCuNiMnSi model alloys and in pressure vessel steels. Electronic structure calculations have been used to characterize the interactions between point defects and the different solute atoms. Each of these solute atoms establishes an attractive bond with the vacancy. As for Mn, which is the element which has the weakest bond with the vacancy, it establishes more favourable bonds with interstitials. Binding energies, migration energies as well as other atomic scale properties, determined by ab initio calculations, have led to a parameter set for the KMC code. Firstly, these parameters have been optimised on thermal ageing experiments realised on the FeCu binary alloy and on complex alloys, described in the literature. The vacancy diffusion thermal annealing simulations show that when a vacancy is available, all the solutes migrate and form clusters, in agreement with the observed experimental tendencies. Secondly, to simulate the microstructural evolution under irradiation, we have introduced interstitials in the KMC code. Their presence leads to a more efficient transport of Mn. The first simulations of electron and neutron irradiations show that the model results are globally qualitatively coherent with the experimentally observed tendencies. (author)
Installation of the Light-Water Breeder Reactor at the Shippingport Atomic Power Station (LWBR Development Program)

International Nuclear Information System (INIS)

Massimino, R.J.; Williams, D.A.

1983-05-01

This report summarizes the refueling operations performed to install a Light Water Breeder Reactor (LWBR) core into the existing pressurized water reactor vessel at the Shippingport Atomic Power Station. Detailed descriptions of the major installation operations (e.g., primary system preconditioning, fuel installation, pressure boundary seal welding) are included as appendices to this report; these operations are of technical interest to any reactor servicing operation, whether the reactor is a breeder or a conventional light water non-breeder core
Installation of the Light-Water Breeder Reactor at the Shippingport Atomic Power Station (LWBR Development Program)

Energy Technology Data Exchange (ETDEWEB)

Massimino, R.J.; Williams, D.A.

1983-05-01

This report summarizes the refueling operations performed to install a Light Water Breeder Reactor (LWBR) core into the existing pressurized water reactor vessel at the Shippingport Atomic Power Station. Detailed descriptions of the major installation operations (e.g., primary system preconditioning, fuel installation, pressure boundary seal welding) are included as appendices to this report; these operations are of technical interest to any reactor servicing operation, whether the reactor is a breeder or a conventional light water non-breeder core.
Does water transport scale universally with tree size?

Science.gov (United States)

F.C. Meinzer; B.J. Bond; J.M. Warren; D.R. Woodruff

2005-01-01

1. We employed standardized measurement techniques and protocols to describe the size dependence of whole-tree water use and cross-sectional area of conducting xylem (sapwood) among several species of angiosperms and conifers. 2. The results were not inconsistent with previously proposed 314-power scaling of water transport with estimated above-...
New theoretical approaches to atomic and molecular dynamics triggered by ultrashort light pulses on the atto- to picosecond time scale

International Nuclear Information System (INIS)

Pabst, Stefan Ulf

2013-04-01

The concept of atoms as the building blocks of matter has existed for over 3000 years. A revolution in the understanding and the description of atoms and molecules has occurred in the last century with the birth of quantum mechanics. After the electronic structure was understood, interest in studying the dynamics of electrons, atoms, and molecules increased. However, time-resolved investigations of these ultrafast processes were not possible until recently. The typical time scale of atomic and molecular processes is in the picosecond to attosecond realm. Tremendous technological progress in recent years makes it possible to generate light pulses on these time scales. With such ultrashort pulses, atomic and molecular dynamics can be triggered, watched, and controlled. Simultaneously, the need rises for theoretical models describing the underlying mechanisms. This doctoral thesis focuses on the development of theoretical models which can be used to study the dynamical behavior of electrons, atoms, and molecules in the presence of ultrashort light pulses. Several examples are discussed illustrating how light pulses can trigger and control electronic, atomic, and molecular motions. In the first part of this work, I focus on the rotational motion of asymmetric molecules, which happens on picosecond and femtosecond time scales. Here, the aim is to align all three axes of the molecule as well as possible. To investigate theoretically alignment dynamics, I developed a program that can describe alignment motion ranging from the impulsive to the adiabatic regime. The asymmetric molecule SO 2 is taken as an example to discuss strategies of optimizing 3D alignment without the presence of an external field (i.e., field-free alignment). Field-free alignment is particularly advantageous because subsequent experiments on the aligned molecule are not perturbed by the aligning light pulse. Wellaligned molecules in the gas phase are suitable for diffraction experiments. From the
New theoretical approaches to atomic and molecular dynamics triggered by ultrashort light pulses on the atto- to picosecond time scale

Energy Technology Data Exchange (ETDEWEB)

Pabst, Stefan Ulf

2013-04-15

The concept of atoms as the building blocks of matter has existed for over 3000 years. A revolution in the understanding and the description of atoms and molecules has occurred in the last century with the birth of quantum mechanics. After the electronic structure was understood, interest in studying the dynamics of electrons, atoms, and molecules increased. However, time-resolved investigations of these ultrafast processes were not possible until recently. The typical time scale of atomic and molecular processes is in the picosecond to attosecond realm. Tremendous technological progress in recent years makes it possible to generate light pulses on these time scales. With such ultrashort pulses, atomic and molecular dynamics can be triggered, watched, and controlled. Simultaneously, the need rises for theoretical models describing the underlying mechanisms. This doctoral thesis focuses on the development of theoretical models which can be used to study the dynamical behavior of electrons, atoms, and molecules in the presence of ultrashort light pulses. Several examples are discussed illustrating how light pulses can trigger and control electronic, atomic, and molecular motions. In the first part of this work, I focus on the rotational motion of asymmetric molecules, which happens on picosecond and femtosecond time scales. Here, the aim is to align all three axes of the molecule as well as possible. To investigate theoretically alignment dynamics, I developed a program that can describe alignment motion ranging from the impulsive to the adiabatic regime. The asymmetric molecule SO{sub 2} is taken as an example to discuss strategies of optimizing 3D alignment without the presence of an external field (i.e., field-free alignment). Field-free alignment is particularly advantageous because subsequent experiments on the aligned molecule are not perturbed by the aligning light pulse. Wellaligned molecules in the gas phase are suitable for diffraction experiments. From the
SUPERCRITICAL WATER PARTIAL OXIDATION PHASE I - PILOT-SCALE TESTING / FEASIBILITY STUDIES FINAL REPORT

Energy Technology Data Exchange (ETDEWEB)

SPRITZER,M; HONG,G

2005-01-01

Under Cooperative Agreement No. DE-FC36-00GO10529 for the Department of Energy, General Atomics (GA) is developing Supercritical Water Partial Oxidation (SWPO) as a means of producing hydrogen from low-grade biomass and other waste feeds. The Phase I Pilot-scale Testing/Feasibility Studies have been successfully completed and the results of that effort are described in this report. The Key potential advantages of the SWPO process is the use of partial oxidation in-situ to rapidly heat the gasification medium, resulting in less char formation and improved hydrogen yield. Another major advantage is that the high-pressure, high-density aqueous environment is ideal for reaching and gasifying organics of all types. The high water content of the medium encourages formation of hydrogen and hydrogen-rich products and is especially compatible with high water content feeds such as biomass materials. The high water content of the medium is also effective for gasification of hydrogen-poor materials such as coal. A versatile pilot plant for exploring gasification in supercritical water has been established at GA's facilities in San Diego. The Phase I testing of the SWPO process with wood and ethanol mixtures demonstrated gasification efficiencies of about 90%, comparable to those found in prior laboratory-scale SCW gasification work carreid out at the University of Hawaii at Manoa (UHM) as well as other biomass gasification experience with conventional gasifiers. As in the prior work at UHM, a significant amount of the hydrogen found in the gas phase products is derived from the water/steam matrix. The studies at UHM utilized an indirectly heated gasifier with an acitvated carbon catalyst. In contrast, the GA studies utilized a directly heated gasifier without catalyst, plus a surrogate waste fuel. Attainment of comparable gasification efficiencies without catalysis is an important advancement for the GA process, and opens the way for efficient hydrogen production from low
Thermochemical water-splitting cycle, bench-scale investigations and process engineering. Annual report, October 1, 1978-September 30, 1979

Energy Technology Data Exchange (ETDEWEB)

Caprioglio, G.; McCorkle, K.H.; Besenbruch, G.E.; Rode, J.S.

1980-03-01

A program to investigate thermochemical water splitting has been under way at General Atomic Company (GA) since October 1972. This document is an annual progress report of Department of Energy (DOE) sponsored process development work on the GA sulfur-iodine thermochemical water splitting cycle. The work consisted of laboratory bench-scale investigations, demonstration of the process in a closed-loop cycle demonstrator, and process engineering design studies. A bench-scale system, consisting of three subunits, has been designed to study the cycle under continuous flow conditions. The designs of subunit I, which models the main solution reaction and product separation, and subunit II, which models the concentration and decomposition of sulfuric acid, were presented in an earlier annual report. The design of subunit III, which models the purification and decomposition of hydrogen iodide, is given in this report. Progress on the installation and operation of subunits I and II is described. A closed-loop cycle demonstrator was installed and operated based on a DOE request. Operation of the GA sulfur-iodine cycle was demonstrated in this system under recycle conditions. The process engineering addresses the flowsheet design of a large-scale production process consisting of four chemical sections (I through IV) and one helium heat supply section (V). The completed designs for sections I through V are presented. The thermal efficiency of the process calculated from the present flowsheet is 47%.
First-Order Quantum Phase Transition for Dicke Model Induced by Atom-Atom Interaction

International Nuclear Information System (INIS)

Zhao Xiu-Qin; Liu Ni; Liang Jiu-Qing

2017-01-01

In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on the extended Dicke model’s ground state properties, the mean photon number, the scaled atomic population and the average ground energy are displayed. Using the self-consistent field theory to solve the atom-atom interaction, we discover the system undergoes a first-order quantum phase transition from the normal phase to the superradiant phase, but a famous Dicke-type second-order quantum phase transition without the atom-atom interaction. Meanwhile, the atom-atom interaction makes the phase transition point shift to the lower atom-photon collective coupling strength. (paper)

Quantification of the Force of Nanoparticle-Cell Membrane Interactions and Its Influence on Intracellular Trafficking of Nanoparticles

Science.gov (United States)

Vasir, Jaspreet K.; Labhasetwar, Vinod

2008-01-01

Understanding the interaction of nanoparticles (NPs) with the cell membrane and their trafficking through cells is imperative to fully explore the use of NPs for efficient intracellular delivery of therapeutics. Here, we report a novel method of measuring the force of NP-cell membrane interactions using atomic force microscopy (AFM). Poly(dl-lactide co-glycolide, PLGA) NPs functionalized with poly-l-lysine were used as a model system, to demonstrate that this force determines the adhesive interaction of NPs with the cell membrane and in turn the extent of cellular uptake of NPs, and hence that of the encapsulated therapeutic. Cellular uptake of NPs was monitored using AFM imaging, and the dynamics of their intracellular distribution was quantified using confocal microscopy. Results demonstrated that the functionalized NPs have a five-fold greater force of adhesion with the cell membrane and the time-lapse AFM images show their rapid internalization than unmodified NPs. The intracellular trafficking study showed that the functionalized NPs escape more rapidly and efficiently from late endosomes than unmodified NPs and result in 10-fold higher intracellular delivery of the encapsulated model protein. The findings described herein enhance our basic understanding of the NP-cell membrane interaction on the basis of physical phenomena that could have wider applications in developing efficient nanocarrier systems for intracellular delivery of therapeutics. PMID:18692238
Ab initio study of neutral (TiO2)n clusters and their interactions with water and transition metal atoms

International Nuclear Information System (INIS)

Çakır, D; Gülseren, O

2012-01-01

We have systematically investigated the growth behavior and stability of small stoichiometric (TiO 2 ) n (n = 1-10) clusters as well as their structural, electronic and magnetic properties by using the first-principles plane wave pseudopotential method within density functional theory. In order to find out the ground state geometries, a large number of initial cluster structures for each n has been searched via total energy calculations. Generally, the ground state structures for the case of n = 1-9 clusters have at least one monovalent O atom, which only binds to a single Ti atom. However, the most stable structure of the n = 10 cluster does not have any monovalent O atom. On the other hand, Ti atoms are at least fourfold coordinated for the ground state structures for n ≥ 4 clusters. Our calculations have revealed that clusters prefer to form three-dimensional structures. Furthermore, all these stoichiometric clusters have nonmagnetic ground state. The formation energy and the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap for the most stable structure of (TiO 2 ) n clusters for each n have also been calculated. The formation energy and hence the stability increases as the cluster size grows. In addition, the interactions between the ground state structure of the (TiO 2 ) n cluster and a single water molecule have been studied. The binding energy (E b ) of the H 2 O molecule exhibits an oscillatory behavior with the size of the clusters. A single water molecule preferably binds to the cluster Ti atom through its oxygen atom, resulting an average binding energy of 1.1 eV. We have also reported the interaction of the selected clusters (n = 3, 4, 10) with multiple water molecules. We have found that additional water molecules lead to a decrease in the binding energy of these molecules to the (TiO 2 ) n clusters. Finally, the adsorption of transition metal (TM) atoms (V, Co and Pt) on the n = 10 cluster has been
Bioreducible poly(amidoamine)s with charge-reversel properties for intracellular protein delivery

NARCIS (Netherlands)

Coué, G.M.J.P.C.; Engbersen, Johannes F.J.; Hennink, W.E.; Engbersen, J.F.J.

2010-01-01

An effective intracellular protein delivery system was developed using bioreducible disulfide-containing poly(amidoamine)s with negatively charged citraconic side groups that can give charge-reversal upon pH decrease. These water-soluble and linear polymers efficiently self-assemble with proteins
Neutral-helium-atom diffraction from a micron-scale periodic structure: Photonic-crystal-membrane characterization

Science.gov (United States)

Nesse, Torstein; Eder, Sabrina D.; Kaltenbacher, Thomas; Grepstad, Jon Olav; Simonsen, Ingve; Holst, Bodil

2017-06-01

Surface scattering of neutral helium beams created by supersonic expansion is an established technique for measuring structural and dynamical properties of surfaces on the atomic scale. Helium beams have also been used in Fraunhofer and Fresnel diffraction experiments. Due to the short wavelength of the atom beams of typically 0.1 nm or less, Fraunhofer diffraction experiments in transmission have so far been limited to grating structures with a period (pitch) of up to 200 nm. However, larger periods are of interest for several applications, for example, for the characterization of photonic-crystal-membrane structures, where the period is typically in the micron to high submicron range. Here we present helium atom diffraction measurements of a photonic-crystal-membrane structure with a two-dimensional square lattice of 100 ×100 circular holes. The nominal period and the hole radius were 490 and 100 nm, respectively. To our knowledge this is the largest period that has been measured with helium diffraction. The helium diffraction measurements are interpreted using a model based on the helium beam characteristics. It is demonstrated how to successfully extract values from the experimental data for the average period of the grating, the hole diameter, and the width of the virtual source used to model the helium beam.
Determination of iron in natural and mineral waters by flame atomic absorption spectrometry

Directory of Open Access Journals (Sweden)

ROLANDAS KAZLAUSKAS

2004-05-01

Full Text Available Simple methods for the determination of Fe in natural and mineral waters by flame atomic absorption spectrometry (AAS are suggested. The results of the investigation of selectivity of the proposed AAS method proved that this procedure is not affected by high concentrations of other metals. The calibration graph for iron was linear at levels near the detection limit up to at least 0.10 mg ml-1. For the determination of microamounts of iron in mineral waters, an extraction AAS technique was developed. Iron was retained as Fe-8-oxyquinoline complex and extracted into chloroform. The optimal conditions for the extraction of the iron complex were determined. The AAS method was applied to the determination of Fe in mineral waters and natural waters from different areas of Lithuania. The accuracy of the developed method was sufficient and evaluated in comparison with a photometric method. The obtained results demonstrated that the procedure could be successfully applied for the analysis of water samples with satisfactory accuracy.
Arsenic Speciation of Waters from the Aegean Region, Turkey by Hydride Generation: Atomic Absorption Spectrometry.

Science.gov (United States)

Çiftçi, Tülin Deniz; Henden, Emur

2016-08-01

Arsenic in drinking water is a serious problem for human health. Since the toxicity of arsenic species As(III) and As(V) is different, it is important to determine the concentrations separately. Therefore, it is necessary to develop an accurate and sensitive method for the speciation of arsenic. It was intended with this work to determine the concentrations of arsenic species in water samples collected from Izmir, Manisa and nearby areas. A batch type hydride generation atomic absorption spectrometer was used. As(V) gave no signal under the optimal measurement conditions of As(III). A certified reference drinking water was analyzed by the method and the results showed excellent agreement with the reported values. The procedure was applied to 34 water samples. Eleven tap water, two spring water, 19 artesian well water and two thermal water samples were analyzed under the optimal conditions.
Sub-seasonal predictability of water scarcity at global and local scale

Science.gov (United States)

Wanders, N.; Wada, Y.; Wood, E. F.

2016-12-01

Forecasting the water demand and availability for agriculture and energy production has been neglected in previous research, partly due to the fact that most large-scale hydrological models lack the skill to forecast human water demands at sub-seasonal time scale. We study the potential of a sub-seasonal water scarcity forecasting system for improved water management decision making and improved estimates of water demand and availability. We have generated 32 years of global sub-seasonal multi-model water availability, demand and scarcity forecasts. The quality of the forecasts is compared to a reference forecast derived from resampling historic weather observations. The newly developed system has been evaluated for both the global scale and in a real-time local application in the Sacramento valley for the Trinity, Shasta and Oroville reservoirs, where the water demand for agriculture and hydropower is high. On the global scale we find that the reference forecast shows high initial forecast skill (up to 8 months) for water scarcity in the eastern US, Central Asia and Sub-Saharan Africa. Adding dynamical sub-seasonal forecasts results in a clear improvement for most regions in the world, increasing the forecasts' lead time by 2 or more months on average. The strongest improvements are found in the US, Brazil, Central Asia and Australia. For the Sacramento valley we can accurately predict anomalies in the reservoir inflow, hydropower potential and the downstream irrigation water demand 6 months in advance. This allow us to forecast potential water scarcity in the Sacramento valley and adjust the reservoir management to prevent deficits in energy or irrigation water availability. The newly developed forecast system shows that it is possible to reduce the vulnerability to upcoming water scarcity events and allows optimization of the distribution of the available water between the agricultural and energy sector half a year in advance.
Point defects and irradiation in oxides: simulations at the atomic scale

International Nuclear Information System (INIS)

Crocombette, J.P.

2005-12-01

The studies done by Jean-Paul Crocombette between 1996 and 2005 in the Service de Recherches de Metallurgie Physique of the Direction de l'Energie Nucleaire in Saclay are presented in this Habilitation thesis. These works were part of the material science researches on the ageing, especially under irradiation, of oxides of interest for the nuclear industry. In this context simulation studies at the atomic scale were performed on two elementary components of ageing under irradiation : point defects and displacement cascades ; using two complementary simulation techniques : ab initio electronic structure calculations and empirical potential molecular dynamics. The first part deals with point defects : self defects (vacancies or interstitials) or hetero-atomic dopants. One first recalls the energetics of such defects in oxides, the specific features of defects calculations and the expected accuracy of these calculations. Then one presents the results obtained on uranium dioxide, oxygen in silver and amorphous silica. The second part tackles the modelling of disintegration recoil nuclei in various?displacement cascades created by crystalline matrices for actinide waste disposal. Cascade calculations give access to the amorphization mechanisms under irradiation of these materials. One thus predicts that the amorphization in zircon takes place directly in the tracks whereas in lanthanum zirconate, the amorphization proceeds through the accumulation of point defects. Finally the prospects of these studies are discussed. (author)
Direct measurements of the tile drain and groundwater flow route contributions to surface water contamination: From field-scale concentration patterns in groundwater to catchment-scale surface water quality

International Nuclear Information System (INIS)

Rozemeijer, J.C.; Velde, Y. van der; Geer, F.C. van; Bierkens, M.F.P.; Broers, H.P.

2010-01-01

Enhanced knowledge of water and solute pathways in catchments would improve the understanding of dynamics in water quality and would support the selection of appropriate water pollution mitigation options. For this study, we physically separated tile drain effluent and groundwater discharge from an agricultural field before it entered a 43.5-m ditch transect. Through continuous discharge measurements and weekly water quality sampling, we directly quantified the flow route contributions to surface water discharge and solute loading. Our multi-scale experimental approach allowed us to relate these measurements to field-scale NO 3 concentration patterns in shallow groundwater and to continuous NO 3 records at the catchment outlet. Our results show that the tile drains contributed 90-92% of the annual NO 3 and heavy metal loads. Considering their crucial role in water and solute transport, enhanced monitoring and modeling of tile drainage are important for adequate water quality management. - Direct measurements of flow route contributions to surface water contaminant loading reveal the crucial role of tile drainage for catchment-scale water and solute transport.
Lansoprazole induces apoptosis of breast cancer cells through inhibition of intracellular proton extrusion

Energy Technology Data Exchange (ETDEWEB)

Zhang, Shangrong; Wang, Yifan; Li, Shu Jie, E-mail: shujieli@nankai.edu.cn

2014-06-13

Highlights: • Lansoprazole (LPZ) induces cell apoptosis in breast cancer cells. • LPZ markedly inhibits intracellular proton extrusion. • LPZ induces an increase in intracellular ATP level, lysosomal alkalinization and ROS accumulation. - Abstract: The increased glycolysis and proton secretion in tumors is proposed to contribute to the proliferation and invasion of cancer cells during the process of tumorigenesis and metastasis. Here, treatment of human breast cancer cells with proton pump inhibitor (PPI) lansoprazole (LPZ) induces cell apoptosis in a dose-dependent manner. In the implantation of the MDA-MB-231 xenografts in nude mice, administration of LPZ significantly inhibits tumorigenesis and induces large-scale apopotosis of tumor cells. LPZ markedly inhibits intracellular proton extrusion, induces an increase in intracellular ATP level, lysosomal alkalinization and accumulation of reactive oxygen species (ROS) in breast cancer cells. The ROS scavenger N-acetyl-L-cysteine (NAC) and diphenyleneiodonium (DPI), a specific pharmacological inhibitor of NADPH oxidases (NOX), significantly abolish LPZ-induced ROS accumulation in breast cancer cells. Our results suggested that LPZ may be used as a new therapeutic drug for breast tumor.
Lansoprazole induces apoptosis of breast cancer cells through inhibition of intracellular proton extrusion

International Nuclear Information System (INIS)

Zhang, Shangrong; Wang, Yifan; Li, Shu Jie

2014-01-01

Highlights: • Lansoprazole (LPZ) induces cell apoptosis in breast cancer cells. • LPZ markedly inhibits intracellular proton extrusion. • LPZ induces an increase in intracellular ATP level, lysosomal alkalinization and ROS accumulation. - Abstract: The increased glycolysis and proton secretion in tumors is proposed to contribute to the proliferation and invasion of cancer cells during the process of tumorigenesis and metastasis. Here, treatment of human breast cancer cells with proton pump inhibitor (PPI) lansoprazole (LPZ) induces cell apoptosis in a dose-dependent manner. In the implantation of the MDA-MB-231 xenografts in nude mice, administration of LPZ significantly inhibits tumorigenesis and induces large-scale apopotosis of tumor cells. LPZ markedly inhibits intracellular proton extrusion, induces an increase in intracellular ATP level, lysosomal alkalinization and accumulation of reactive oxygen species (ROS) in breast cancer cells. The ROS scavenger N-acetyl-L-cysteine (NAC) and diphenyleneiodonium (DPI), a specific pharmacological inhibitor of NADPH oxidases (NOX), significantly abolish LPZ-induced ROS accumulation in breast cancer cells. Our results suggested that LPZ may be used as a new therapeutic drug for breast tumor
Clarifying atomic weights: A 2016 four-figure table of standard and conventional atomic weights

Science.gov (United States)

Coplen, Tyler B.; Meyers, Fabienne; Holden, Norman E.

2017-01-01

To indicate that atomic weights of many elements are not constants of nature, in 2009 and 2011 the Commission on Isotopic Abundances and Atomic Weights (CIAAW) of the International Union of Pure and Applied Chemistry (IUPAC) replaced single-value standard atomic weight values with atomic weight intervals for 12 elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, magnesium, silicon, sulfur, chlorine, bromine, and thallium); for example, the standard atomic weight of nitrogen became the interval [14.00643, 14.00728]. CIAAW recognized that some users of atomic weight data only need representative values for these 12 elements, such as for trade and commerce. For this purpose, CIAAW provided conventional atomic weight values, such as 14.007 for nitrogen, and these values can serve in education when a single representative value is needed, such as for molecular weight calculations. Because atomic weight values abridged to four figures are preferred by many educational users and are no longer provided by CIAAW as of 2015, we provide a table containing both standard atomic weight values and conventional atomic weight values abridged to four figures for the chemical elements. A retrospective review of changes in four-digit atomic weights since 1961 indicates that changes in these values are due to more accurate measurements over time or to the recognition of the impact of natural isotopic fractionation in normal terrestrial materials upon atomic weight values of many elements. Use of the unit “u” (unified atomic mass unit on the carbon mass scale) with atomic weight is incorrect because the quantity atomic weight is dimensionless, and the unit “amu” (atomic mass unit on the oxygen scale) is an obsolete term: Both should be avoided.
Accuracy of free energies of hydration using CM1 and CM3 atomic charges.

Science.gov (United States)

Udier-Blagović, Marina; Morales De Tirado, Patricia; Pearlman, Shoshannah A; Jorgensen, William L

2004-08-01

Absolute free energies of hydration (DeltaGhyd) have been computed for 25 diverse organic molecules using partial atomic charges derived from AM1 and PM3 wave functions via the CM1 and CM3 procedures of Cramer, Truhlar, and coworkers. Comparisons are made with results using charges fit to the electrostatic potential surface (EPS) from ab initio 6-31G* wave functions and from the OPLS-AA force field. OPLS Lennard-Jones parameters for the organic molecules were used together with the TIP4P water model in Monte Carlo simulations with free energy perturbation theory. Absolute free energies of hydration were computed for OPLS united-atom and all-atom methane by annihilating the solutes in water and in the gas phase, and absolute DeltaGhyd values for all other molecules were computed via transformation to one of these references. Optimal charge scaling factors were determined by minimizing the unsigned average error between experimental and calculated hydration free energies. The PM3-based charge models do not lead to lower average errors than obtained with the EPS charges for the subset of 13 molecules in the original study. However, improvement is obtained by scaling the CM1A partial charges by 1.14 and the CM3A charges by 1.15, which leads to average errors of 1.0 and 1.1 kcal/mol for the full set of 25 molecules. The scaled CM1A charges also yield the best results for the hydration of amides including the E/Z free-energy difference for N-methylacetamide in water. Copyright 2004 Wiley Periodicals, Inc.
Determination of trace elements in ground water by two preconcentration methods using atomic absorption spectrometry

International Nuclear Information System (INIS)

Elhag, A. Y.

2004-01-01

This is a comparative study between two different methods of preconcentration done to separate the trace elements cadmium, nickel. chromium, manganese, copper, zinc, and lead in drinking (ground) water samples taken from different locations in Gezira State, central Sudan (the map); these methods are (coprecipitation) with aluminium hydroxide and by Ammonium Pyrrolidine Dithiocarbamate (APDC) using Methyl Isobutyl Ketone (MIBK) as an organic solvent; and subsequent analysis by Atomic Absorption Spectrometry (AAS) for both methods. The result of comparison showed the superiority of the (APDC) coprecipitation method over the aluminium hydroxide coprecipitation method in the total percentage recoveries of the studied trace elements in drinking (ground) water samples, such results confirm previous studies. This study also involves direct analysis of these water samples by atomic absorption spectrometry to determine the concentrations of trace elements Cadmium, Nickel, Chromium, Manganese, Copper, Zinc and Lead and compare it to the corresponding guide line values described by the World Health Organization and the maximum concentrations of trace elements in drinking water permitted by the Sudanese Standards and Metrology Organizations (SSMO), where the concentrations of some elements in some samples were found to be different than the described values by both of the organizations. The study includes a trial to throw light on the effect of the proximity of the water samples sources to the Blue Nile river on its trace elements concentrations; no relation was proved to exist in that respect.(Author)
Effect of the sulphur atom on geometry and spectra of the biomolecule 2-thiouracil and in the WC base pair 2-thiouridine-adenosine. Influence of water in the first hydration shell.

Science.gov (United States)

Alcolea Palafox, M; Rastogi, V K; Singh, S P

2018-04-01

The effect of the sulphur atom on 2-thiouracil (2TU) and 2-thiouridine molecules, as compared with uracil and uridine molecules, respectively, was carried out in several environments. The predicted IR spectrum of 2TU in the isolated state was compared with that obtained for uracil molecule and with those reported experimentally in matrix isolation. Its crystal unit cell in the solid state was simulated through a tetramer form using DFT methods for the first time. The calculated Raman spectrum was compared to the experimental ones in the solid state. A linear scaling procedure was used for this task. The first hydration shell was simulated by explicit number of water molecules surrounding 2TU up to 30 and was compared with that obtained in uracil molecule. Water molecules 'distributed' around 2TU was preferred over that 'clustering', because it can better reproduce the hydration and their effects on different parameters of the molecular structure of 2TU and uracil. The total atomic charges and several calculated thermodynamic parameters were discussed. The effect of the sulphur atom on the Watson-Crick (WC) and reverse WC base pair uridine-adenosine was estimated, and the CP corrected interaction energies were calculated. 2-thiouridine has a weaker WC pair than that with uridine, although its slight higher dipole moment (μ) facilitates the interaction with the water molecules. Several helical parameters were determined.
Atomic Scale Imaging of Nucleation and Growth Trajectories of an Interfacial Bismuth Nanodroplet.

Science.gov (United States)

Li, Yingxuan; Bunes, Benjamin R; Zang, Ling; Zhao, Jie; Li, Yan; Zhu, Yunqing; Wang, Chuanyi

2016-02-23

Because of the lack of experimental evidence, much confusion still exists on the nucleation and growth dynamics of a nanostructure, particularly of metal. The situation is even worse for nanodroplets because it is more difficult to induce the formation of a nanodroplet while imaging the dynamic process with atomic resolution. Here, taking advantage of an electron beam to induce the growth of Bi nanodroplets on a SrBi2Ta2O9 platelet under a high resolution transmission electron microscope (HRTEM), we directly observed the detailed growth pathways of Bi nanodroplets from the earliest stage of nucleation that were previously inaccessible. Atomic scale imaging reveals that the dynamics of nucleation involves a much more complex trajectory than previously predicted based on classical nucleation theory (CNT). The monatomic Bi layer was first formed in the nucleation process, which induced the formation of the prenucleated clusters. Following that, critical nuclei for the nanodroplets formed both directly from the addition of atoms to the prenucleated clusters by the classical growth process and indirectly through transformation of an intermediate liquid film based on the Stranski-Krastanov growth mode, in which the liquid film was induced by the self-assembly of the prenucleated clusters. Finally, the growth of the Bi nanodroplets advanced through the classical pathway and sudden droplet coalescence. This study allows us to visualize the critical steps in the nucleation process of an interfacial nanodroplet, which suggests a revision of the perspective of CNT.
Methods of analysis by the U.S. Geological Survey National Water Quality Laboratory; determination of arsenic and selenium in water and sediment by graphite furnace atomic absorption spectrometry

Science.gov (United States)

Jones, Sandra R.; Garbarino, John R.

1999-01-01

Graphite furnace-atomic absorption spectrometry (GF-AAS) is a sensitive, precise, and accurate technique that can be used to determine arsenic and selenium in samples of water and sediment. The GF-AAS method has been developed to replace the hydride generation-atomic absorption spectrometry (HG-AAS) methods because the method detection limits are similar, bias and variability are comparable, and interferences are minimal. Advantages of the GF-AAS method include shorter sample preparation time, increased sample throughput from simultaneous multielement analysis, reduced amount of chemical waste, reduced sample volume requirements, increased linear concentration range, and the use of a more accurate digestion procedure. The linear concentration range for arsenic and selenium is 1 to 50 micrograms per liter in solution; the current method detection limit for arsenic in solution is 0.9 microgram per liter; the method detection limit for selenium in solution is 1 microgram per liter. This report describes results that were obtained using stop-flow and low-flow conditions during atomization. The bias and variability of the simultaneous determination of arsenic and selenium by GF-AAS under both conditions are supported with results from standard reference materials--water and sediment, real water samples, and spike recovery measurements. Arsenic and selenium results for all Standard Reference Water Samples analyzed were within one standard deviation of the most probable values. Long-term spike recoveries at 6.25, 25.0, 37.5 micrograms per liter in reagent-, ground-, and surface-water samples for arsenic averaged 103 plus or minus 2 percent using low-flow conditions and 104 plus or minus 4 percent using stop-flow conditions. Corresponding recoveries for selenium were 98 plus or minus 13 percent using low-flow conditions and 87 plus or minus 24 percent using stop-flow conditions. Spike recoveries at 25 micrograms per liter in 120 water samples ranged from 97 to 99 percent
Selected specific rates of reactions of transients from water in aqueous solution. II. Hydrogen atom

International Nuclear Information System (INIS)

Anbar, M.; Farhataziz; Ross, A.B.

1975-05-01

Rates of reactions of hydrogen atoms (from radiolysis of water and other sources) with organic and inorganic molecules, ions, and transients in aqueous solution were tabulated. Directly measured rates obtained by kinetic spectroscopy or conductimetric methods, and relative rates determined by competition kinetics are included. (U.S.)
Atomic scale 0-π transition and pairing symmetry in a Josephson junction with a ferromagnetic insulator

International Nuclear Information System (INIS)

Kawabata, S.; Kashiwaya, S.; Tanaka, Y.; Golubov, A. A.; Asano, Y.

2011-01-01

Full text: A superconducting ring with a π-junction made from superconductor (S) / ferromagnetic- metal (FM) / superconductor (S) exhibits a spontaneous current without an external magnetic field and the corresponding magnetic flux is half a flux quantum in the ground state. Such a π-ring provides so-called 'quiet qubit' that can be efficiently decoupled from the fluctuation of the external field. However, the usage of FM gives rise to strong Ohmic dissipation. Therefore, the realization of π-junctions without FM is highly desired for qubit applications. We theoretically consider the possibility of the π-junction formation in the mesoscopic Josephson junctions with ferromagnetic insulators (FI) by taking into account the band structure of such materials explicitly. In the case of the fully polarized FIs, e.g., La 2 BaCuO 5 (LBCO) and K 2 CuF 4 , we found the formation of a π-junction and a novel atomic-scale 0-π transition induced by increasing the FI thickness LF. In this talk, I will discuss a thermal stability and material-parameter dependences of the atomic-scale 0-π transition as well as possibility of the odd-frequency pairing in such systems. (author)
Automated atomic absorption spectrometric determination of total arsenic in water and streambed materials

Science.gov (United States)

Fishman, M.

1977-01-01

An automated method to determine both inorganic and organic forms of arsenic In water, water-suspended mixtures, and streambed materials Is described. Organic arsenic-containing compounds are decomposed by either ultraviolet radiation or by suHurlc acid-potassium persulfate digestion. The arsenic liberated, with Inorganic arsenic originally present, is reduced to arsine with sodium borohydrlde. The arable Is stripped from the solution with the aid of nitrogen and Is then decomposed In a tube furnace heated to 800 ??C which Is placed in the optical path of an atomic absorption spectrometer. Thirty samples per hour can be analyzed to levels of 1 ??g arsenic per liter.

‘Which-way’ collective atomic spin excitation among atomic ensembles by photon indistinguishability

International Nuclear Information System (INIS)

Zhang Guowan; Bian Chenglin; Chen, L Q; Ou, Z Y; Zhang Weiping

2012-01-01

In spontaneous Raman scattering in an atomic ensemble, a collective atomic spin wave is created in correlation with the Stokes field. When the Stokes photons from two or more such atomic ensembles are made indistinguishable, a ‘which-way’ collective atomic spin excitation is generated among the independent atomic ensembles. We demonstrate this phenomenon experimentally by reading out the atomic spin excitations and observing interference between the read-out beams. When a single-photon projective measurement is made on the indistinguishable Stokes photons, this simple scheme can be used to entangle independent atomic ensembles. Compared to other currently used methods, this scheme can be easily scaled up and has greater efficiency. (paper)
RF Shot Noise Measurements in Au Atomic-scale Junctions

Science.gov (United States)

Chen, Ruoyu

Conduction electrons are responsible for many physical or chemical phenomena in condensed matter systems, and their behavior can be directly studied by electronic transport measurements. In conventional transport measurements, conductance or resistance is usually the focus. Such a measurement can be as simple as a quick two terminal DC check by a multi-meter, or a more sophisticated lock-in measurement of multiple higher harmonic signals synchronized to different frequencies. Conductance carries direct information about the quasi-particle density of states and the local electronic distributions, which are usually Fermi-Dirac distribution. Conductance is modified or dominated by scattering from defacts or interfaces, and could also reflect the spin-spin exchange interactions or inelastic couplings with phonons and photons. Naturally one can ask the question: is there anything else we can measure electronically, which carries extra information that a conductance measurement does not provide? One answer to this question is the electronic noise. While the conductance reflects the average charge conduction ability of a system, noise describes how the physical quantities fluctuate around their average values. Some of the fluctuations carry information about their physical origins. This thesis will focus on one particular type of the electronic noise shot noise, but other types of noise will also be introduced and discussed. We choose to measure the radio frequency component of shot noise, combining with a modulated lock-in detection technique, which provides a method to largely get rid of other unwanted low-frequency noise signals. Au atomic-scale junctions are the systems we studied here. Au is relatively well understood and will not generate too many complications, so it's ideal as the first platform for us to understand both shot noise itself and our RF technique. On the other hand, the atomic scale raises fundamental questions about electronic transport and local
Method 200.12 - Determination of Trace Elements in Marine Waters by StabilizedTemperature Graphite Furnace Atomic Absorption

Science.gov (United States)

This method provides procedures for the determination of total recoverable elements by graphite furnace atomic absorption (GFAA) in marine waters, including estuarine, ocean and brines with salinities of up to 35 ppt.
Engineering a predatory bacterium as a proficient killer agent for intracellular bio-products recovery

DEFF Research Database (Denmark)

Martinez, Virginia; Herencias, Cristina; Jurkevitch, Edouard

2016-01-01

This work examines the potential of the predatory bacterium Bdellovibrio bacteriovorus HD100, an obligate predator of other Gram-negative bacteria, as an external cell-lytic agent for recovering valuable intracellular bio-products produced by prey cultures. The bio-product targets to be recovered......% of that accumulated by the prey bacteria, even at high biomass concentrations. This innovative downstream process highlights how B. bacteriovorus can be used as a novel, biological lytic agent for the inexpensive, industrial scale recovery of intracellular products from different Gram-negative prey cultures....
The Impact of Small Scale Mining on Irrigation Water Quality in ...

African Journals Online (AJOL)

Small scale mining is a major threat to water resources and agricultural activities in most mining communities across Ghana. This study investigated the effect of small scale mining on the quality of water for irrigation from some selected sites along a river and a reservoir which was used as a control. The physical and ...
Direct imaging of atomic-scale ripples in few-layer graphene.

Science.gov (United States)

Wang, Wei L; Bhandari, Sagar; Yi, Wei; Bell, David C; Westervelt, Robert; Kaxiras, Efthimios

2012-05-09

Graphene has been touted as the prototypical two-dimensional solid of extraordinary stability and strength. However, its very existence relies on out-of-plane ripples as predicted by theory and confirmed by experiments. Evidence of the intrinsic ripples has been reported in the form of broadened diffraction spots in reciprocal space, in which all spatial information is lost. Here we show direct real-space images of the ripples in a few-layer graphene (FLG) membrane resolved at the atomic scale using monochromated aberration-corrected transmission electron microscopy (TEM). The thickness of FLG amplifies the weak local effects of the ripples, resulting in spatially varying TEM contrast that is unique up to inversion symmetry. We compare the characteristic TEM contrast with simulated images based on accurate first-principles calculations of the scattering potential. Our results characterize the ripples in real space and suggest that such features are likely common in ultrathin materials, even in the nanometer-thickness range.
Estimating the biophysical properties of neurons with intracellular calcium dynamics.

Science.gov (United States)

Ye, Jingxin; Rozdeba, Paul J; Morone, Uriel I; Daou, Arij; Abarbanel, Henry D I

2014-06-01

We investigate the dynamics of a conductance-based neuron model coupled to a model of intracellular calcium uptake and release by the endoplasmic reticulum. The intracellular calcium dynamics occur on a time scale that is orders of magnitude slower than voltage spiking behavior. Coupling these mechanisms sets the stage for the appearance of chaotic dynamics, which we observe within certain ranges of model parameter values. We then explore the question of whether one can, using observed voltage data alone, estimate the states and parameters of the voltage plus calcium (V+Ca) dynamics model. We find the answer is negative. Indeed, we show that voltage plus another observed quantity must be known to allow the estimation to be accurate. We show that observing both the voltage time course V(t) and the intracellular Ca time course will permit accurate estimation, and from the estimated model state, accurate prediction after observations are completed. This sets the stage for how one will be able to use a more detailed model of V+Ca dynamics in neuron activity in the analysis of experimental data on individual neurons as well as functional networks in which the nodes (neurons) have these biophysical properties.
Comparative reproductive and physiological responses of northern bobwhite and scaled quail to water deprivation

Science.gov (United States)

Giuliano, W.M.; Patino, R.; Lutz, R.S.

1998-01-01

We compared reproductive and physiological responses of captive female northern bobwhite (Colinus virginianus) and scaled quail (Callipepla squamata) under control and water deprivation conditions. Scaled quail required less food and water to reproduce successfully under control conditions than northern bobwhite. Additionally, in scaled quail, serum osmolality levels and kidney mass were unaffected by water deprivation, whereas in northern bobwhite, serum osmolality levels increased and kidney mass declined. This finding indicates that scaled quail may have osmoregulatory abilities superior to those of northern bobwhite. Under control conditions, northern bobwhite gained more body mass and produced more but smaller eggs than scaled quail. Under water deprivation conditions, northern bobwhite lost more body mass but had more laying hens with a higher rate of egg production than scaled quail. Our data suggest that northern bobwhite allocated more resources to reproduction than to body maintenance, while scaled quail apparently forego reproduction in favor of body maintenance during water deprivation conditions.
In situ metrology to characterize water vapor delivery during atomic layer deposition

International Nuclear Information System (INIS)

Ahmido, Tariq; Kimes, William A.; Sperling, Brent A.; Hodges, Joseph T.; Maslar, James E.

2016-01-01

Water is often employed as the oxygen source in metal oxide atomic layer deposition (ALD) processes. It has been reported that variations in the amount of water delivered during metal oxide ALD can impact the oxide film properties. Hence, one contribution to optimizing metal oxide ALD processes would be to identify methods to better control water dose. The development of rapid, quantitative techniques for in situ water vapor measurements during ALD processes would be beneficial to achieve this goal. In this report, the performance of an in situ tunable diode laser absorption spectroscopy (TDLAS) scheme for performing rapid, quantitative water partial pressure measurements in a representative quarter-inch ALD delivery line is described. This implementation of TDLAS, which utilizes a near-infrared distributed-feedback diode laser and wavelength modulation spectroscopy, provides measurements of water partial pressure on a timescale comparable to or shorter than the timescale of the gas dynamics in typical ALD systems. Depending on the degree of signal averaging, this TDLAS system was capable of measuring the water partial pressure with a detection limit in the range of ∼0.80 to ∼0.08 Pa. The utility of this TDLAS scheme was demonstrated by using it to identify characteristics of a representative water delivery system that otherwise would have been difficult to predict. Those characteristics include (1) the magnitude and time dependence of the pressure transient that can occur during water injection, and (2) the dependence of the steady-state water partial pressure on the carrier gas flow rate and the setting of the water ampoule flow restriction.
Preferential feeding in Naegleria fowleri; intracellular bacteria isolated from amoebae in operational drinking water distribution systems.

Science.gov (United States)

Miller, Haylea C; Morgan, Matthew J; Walsh, Tom; Wylie, Jason T; Kaksonen, Anna H; Puzon, Geoffrey J

2018-05-06

The amoeba Naegleria fowleri is the causative agent of the highly fatal disease, primary amoebic meningoencephalitis, and estimated to cause 16 deaths per year in the United States alone. Colonisation of drinking water distribution systems (DWDSs) by the N. fowleri is a significant public health issue. Understanding the factors which enable this pathogen to colonise and thrive in DWDSs is critical for proper management. The microbial ecology within DWDSs may influence the ability of N. fowleri to colonise DWDSs by facilitating the availability of an appropriate food source. Using biofilm samples obtained from operational DWDSs, 16S rRNA amplicon metabarcoding was combined with genus-specific PCR and Sanger sequencing of intracellular associated bacteria from isolated amoeba and their parental biofilms to identify Meiothermus chliarophilus as a potential food source for N. fowleri. Meiothermus was confirmed as a food source for N. fowleri following successful serial culturing of axenic N. fowleri with M. chliarophilus or M. ruber as the sole food source. The ability to identify environmental and ecological conditions favourable to N. fowleri colonisation, including the detection of appropriate food sources such as Meiothermus, could provide water utilities with a predictive tool for managing N. fowleri colonisation within the DWDS. Copyright © 2018 Elsevier Ltd. All rights reserved.
Fate of cyanobacteria and their metabolites during water treatment sludge management processes

International Nuclear Information System (INIS)

Ho, Lionel; Dreyfus, Jennifer; Boyer, Justine; Lowe, Todd; Bustamante, Heriberto; Duker, Phil; Meli, Tass; Newcombe, Gayle

2012-01-01

Cyanobacteria and their metabolites are an issue for water authorities; however, little is known as to the fate of coagulated cyanobacterial-laden sludge during waste management processes in water treatment plants (WTPs). This paper provides information on the cell integrity of Anabaena circinalis and Cylindrospermopsis raciborskii during: laboratory-scale coagulation/sedimentation processes; direct filtration and backwashing procedures; and cyanobacterial-laden sludge management practices. In addition, the metabolites produced by A. circinalis (geosmin and saxitoxins) and C. raciborskii (cylindrospermopsin) were investigated with respect to their release (and possible degradation) during each of the studied processes. Where sedimentation was used, coagulation effectively removed cyanobacteria (and intracellular metabolites) without any considerable exertion on coagulant demand. During direct filtration experiments, cyanobacteria released intracellular metabolites through a stagnation period, suggesting that more frequent backwashing of filters may be required to prevent floc build-up and metabolite release. Cyanobacteria appeared to be protected within the flocs, with minimal damage during backwashing of the filters. Within coagulant sludge, cyanobacteria released intracellular metabolites into the supernatant after 3 d, even though cells remained viable up to 7 d. This work has improved the understanding of cyanobacterial metabolite risks associated with management of backwash water and sludge and is likely to facilitate improvements at WTPs, including increased monitoring and the application of treatment strategies and operational practices, with respect to cyanobacterial-laden sludge and/or supernatant recycle management. - Highlights: ► Coagulation removed cyanobacteria without an additional exertion on coagulant demand. ► During a stagnation period in direct filtration intracellular metabolites were released. ► Cyanobacterial cells were not damaged
Towards Large-area Field-scale Operational Evapotranspiration for Water Use Mapping

Science.gov (United States)

Senay, G. B.; Friedrichs, M.; Morton, C.; Huntington, J. L.; Verdin, J.

2017-12-01

Field-scale evapotranspiration (ET) estimates are needed for improving surface and groundwater use and water budget studies. Ideally, field-scale ET estimates would be at regional to national levels and cover long time periods. As a result of large data storage and computational requirements associated with processing field-scale satellite imagery such as Landsat, numerous challenges remain to develop operational ET estimates over large areas for detailed water use and availability studies. However, the combination of new science, data availability, and cloud computing technology is enabling unprecedented capabilities for ET mapping. To demonstrate this capability, we used Google's Earth Engine cloud computing platform to create nationwide annual ET estimates with 30-meter resolution Landsat ( 16,000 images) and gridded weather data using the Operational Simplified Surface Energy Balance (SSEBop) model in support of the National Water Census, a USGS research program designed to build decision support capacity for water management agencies and other natural resource managers. By leveraging Google's Earth Engine Application Programming Interface (API) and developing software in a collaborative, open-platform environment, we rapidly advance from research towards applications for large-area field-scale ET mapping. Cloud computing of the Landsat image archive combined with other satellite, climate, and weather data, is creating never imagined opportunities for assessing ET model behavior and uncertainty, and ultimately providing the ability for more robust operational monitoring and assessment of water use at field-scales.
Nanometer-scale isotope analysis of bulk diamond by atom probe tomography

NARCIS (Netherlands)

Schirhagl, R.; Raatz, N.; Meijer, J.; Markham, M.; Gerstl, S. S. A.; Degen, C. L.

2015-01-01

Atom-probe tomography (APT) combines field emission of atoms with mass spectrometry to reconstruct three-dimensional tomograms of materials with atomic resolution and isotope specificity. Despite significant recent progress in APT technology, application to wide-bandgap materials with strong
Effects of Bell Speed and Flow Rate on Evaporation of Water Spray from a Rotary Bell Atomizer

Directory of Open Access Journals (Sweden)

Rajan Ray

2015-05-01

Full Text Available A phase doppler anemometer (PDA was used to determine the effects of evaporation on water spray for three rotary bell atomizer operational variable parameters: shaping air, bell speed and liquid flow. Shaping air was set at either 200 standard liters per minute (L/min or 300 L/min, bell speed was set to 30, 40 or 50 thousand rotations per minute (krpm and water flow rate was varied between 100, 200 or 300 cubic centimeters per minute (cm3/min. The total evaporation between 22.5 and 37.5 cm from the atomizer (cm3/s was calculated for all the combinations of those variables. Evaporation rate increased with higher flow rate and bell speed but no statistically significant effects were obtained for variable shaping air on interactions between parameters.
Atomic-scale investigation of nuclear quantum effects of surface water: Experiments and theory

Science.gov (United States)

Guo, Jing; Li, Xin-Zheng; Peng, Jinbo; Wang, En-Ge; Jiang, Ying

2017-12-01

Quantum behaviors of protons in terms of tunneling and zero-point motion have significant effects on the macroscopic properties, structure, and dynamics of water even at room temperature or higher. In spite of tremendous theoretical and experimental efforts, accurate and quantitative description of the nuclear quantum effects (NQEs) is still challenging. The main difficulty lies in that the NQEs are extremely susceptible to the structural inhomogeneity and local environments, especially when interfacial systems are concerned. In this review article, we will highlight the recent advances of scanning tunneling microscopy and spectroscopy (STM/S), which allows the access to the quantum degree of freedom of protons both in real and energy space. In addition, we will also introduce recent development of ab initio path-integral molecular dynamics (PIMD) simulations at surfaces/interfaces, in which both the electrons and nuclei are treated as quantum particles in contrast to traditional ab initio molecular dynamics (MD). Then we will discuss how the combination of STM/S and PIMD are used to directly visualize the concerted quantum tunneling of protons within the water clusters and quantify the impact of zero-point motion on the strength of a single hydrogen bond (H bond) at a water/solid interface. Those results may open up the new possibility of exploring the exotic quantum states of light nuclei at surfaces, as well as the quantum coupling between the electrons and nuclei.
Water harvesting options in the drylands at different spatial scales

OpenAIRE

Ali, Akhtar; Oweis, Theib; Rashid, Mohammad; El-Naggar, Sobhi; Aal, Atef Abdul

2007-01-01

The effect of spatial-scale variations on water harvesting has been evaluated at micro-catchment, hillside/farm, and watershed (=catchment) scales in three relatively dry environments in Syria, Pakistan and Egypt. Micro-catchment water harvesting captures localized runoff only through independent micro-catchment systems and is not influenced by hill slope runoff and stream flows. In Syria, it was found that only a fraction of total runoff from a catchment is collected, with no significant eff...
Insecticide resistance and intracellular proteases.

Science.gov (United States)

Wilkins, Richard M

2017-12-01

Pesticide resistance is an example of evolution in action with mechanisms of resistance arising from mutations or increased expression of intrinsic genes. Intracellular proteases have a key role in maintaining healthy cells and in responding to stressors such as pesticides. Insecticide-resistant insects have constitutively elevated intracellular protease activity compared to corresponding susceptible strains. This increase was shown for some cases originally through biochemical enzyme studies and subsequently putatively by transcriptomics and proteomics methods. Upregulation and expression of proteases have been characterised in resistant strains of some insect species, including mosquitoes. This increase in proteolysis results in more degradation products (amino acids) of intracellular proteins. These may be utilised in the resistant strain to better protect the cell from stress. There are changes in insect intracellular proteases shortly after insecticide exposure, suggesting a role in stress response. The use of protease and proteasome inhibitors or peptide mimetics as synergists with improved application techniques and through protease gene knockdown using RNA interference (possibly expressed in crop plants) may be potential pest management strategies, in situations where elevated intracellular proteases are relevant. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.
Atoms, Molecules, and Compounds

CERN Document Server

Manning, Phillip

2007-01-01

Explores the atoms that govern chemical processes. This book shows how the interactions between simple substances such as salt and water are crucial to life on Earth and how those interactions are predestined by the atoms that make up the molecules.
Quantum interference between two phonon paths and reduced heat transport in diamond lattice with atomic-scale planar defects

Science.gov (United States)

Kosevich, Yu. A.; Strelnikov, I. A.

2018-02-01

Destructive quantum interference between the waves propagating through laterally inhomogeneous layer can result in their total reflection, which in turn reduces energy flux carried by these waves. We consider the systems of Ge atoms, which fully or partly, in the chequer-wise order, fill a crystal plane in diamond-like Si lattice. We have revealed that a single type of the atomic defects, which are placed in identical positions in different unit cells in the defect crystal plane, can result in double transmission antiresonances of phonon wave packets. This new effect we relate with the complex structure of the diamond-like unit cell, which comprises two atoms in different positions and results in two distinct vibration resonances in two interfering phonon paths. We also consider the propagation of phonon wave packets in the superlatticies made of the defect planes, half-filled in the chequer-wise order with Ge atoms. We have revealed relatively broad phonon stop bands with center frequencies at the transmission antiresonances. We elaborate the equivalent analytical quasi-1D lattice model of the two phonon paths through the complex planar defect in the diamond-like lattice and describe the reduction of phonon heat transfer through the atomic-scale planar defects.
Laboratory studies on tropospheric iodine chemistry: bridging the atomic, molecular and particle scale

Science.gov (United States)

Gomez Martin, J.; Saunders, R. W.; Blitz, M. A.; Mahajan, A. S.; Plane, J. M.

2008-12-01

High mixing ratios of the iodine oxides IO and OIO have been observed in the polar, mid-latitude and tropical marine boundary layer (MBL). The impact of the iodine chemistry on the oxidizing capacity of the MBL is well documented. Moreover, there is evidence showing that the bursts of new particles measured in coastal regions are produced by the biogenic emission of iodine containing precursors, followed by the photochemical production and condensation of iodine oxide vapours. Airborne measurements of particle growth rates show that these particles can reach significant sizes where they can contribute to the regional aerosol loading, thus suggesting a potential impact on climate on a regional or global scale. Within the frame of the INSPECT project (INorganic Secondary Particle Evolution, Chemistry and Transport) we wish to understand at a fundamental level the tendency for the iodine oxides formed from IO and OIO recombination to condense into particles. Elemental analysis of iodine oxide particles (IOP) made in the laboratory shows that they have the empirical formula I2O5. The major question is how this happens: through formation of I2O5 in the gas phase, followed by polymerization, or by condensation of various IxOy to form amorphous iodine oxides, which subsequently rearrange to I2O5. We are studying the gas phase photochemistry leading to nucleation of IOP, their growth kinetics, aspects of their heterogeneous chemistry, and their properties as ice condensation nuclei. In order to bridge the molecular and the particle scales, a wide variety of techniques are being used, including CRDS, ARAS, LIF, UV-VIS spectroscopy, PI-TOF-MS and mobility particle size scanning. The results obtained so far provide new and interesting insights to the problem. From the gas phase point of view, a unit iodine atom quantum yield from OIO photolysis has been now established across its strong visible spectral bands. This result implies a short lifetime of OIO and explains why in

Low-noise humidity controller for imaging water mediated processes in atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Gaponenko, I., E-mail: iaroslav.gaponenko@unige.ch; Gamperle, L.; Herberg, K.; Muller, S. C.; Paruch, P. [DQMP, University of Geneva, 24 Quai E. Ansermet, 1211 Geneva 4 (Switzerland)

2016-06-15

We demonstrate the construction of a novel low-noise continuous flow humidity controller and its integration with a commercial variable-temperature atomic force microscope fluid cell, allowing precise control of humidity and temperature at the sample during nanoscale measurements. Based on wet and dry gas mixing, the design allows a high mechanical stability to be achieved by means of an ultrasonic atomiser for the generation of water-saturated gas, improving upon previous bubbler-based architectures. Water content in the flow is measured both at the inflow and outflow of the fluid cell, enabling the monitoring of water condensation and icing, and allowing controlled variation of the sample temperature independently of the humidity. To benchmark the performance of the controller, the results of detailed noise studies and time-based imaging of the formation of ice layers on highly oriented pyrolytic graphite are shown.
Low-noise humidity controller for imaging water mediated processes in atomic force microscopy

Science.gov (United States)

Gaponenko, I.; Gamperle, L.; Herberg, K.; Muller, S. C.; Paruch, P.

2016-06-01

We demonstrate the construction of a novel low-noise continuous flow humidity controller and its integration with a commercial variable-temperature atomic force microscope fluid cell, allowing precise control of humidity and temperature at the sample during nanoscale measurements. Based on wet and dry gas mixing, the design allows a high mechanical stability to be achieved by means of an ultrasonic atomiser for the generation of water-saturated gas, improving upon previous bubbler-based architectures. Water content in the flow is measured both at the inflow and outflow of the fluid cell, enabling the monitoring of water condensation and icing, and allowing controlled variation of the sample temperature independently of the humidity. To benchmark the performance of the controller, the results of detailed noise studies and time-based imaging of the formation of ice layers on highly oriented pyrolytic graphite are shown.
Low-noise humidity controller for imaging water mediated processes in atomic force microscopy

International Nuclear Information System (INIS)

Gaponenko, I.; Gamperle, L.; Herberg, K.; Muller, S. C.; Paruch, P.

2016-01-01

We demonstrate the construction of a novel low-noise continuous flow humidity controller and its integration with a commercial variable-temperature atomic force microscope fluid cell, allowing precise control of humidity and temperature at the sample during nanoscale measurements. Based on wet and dry gas mixing, the design allows a high mechanical stability to be achieved by means of an ultrasonic atomiser for the generation of water-saturated gas, improving upon previous bubbler-based architectures. Water content in the flow is measured both at the inflow and outflow of the fluid cell, enabling the monitoring of water condensation and icing, and allowing controlled variation of the sample temperature independently of the humidity. To benchmark the performance of the controller, the results of detailed noise studies and time-based imaging of the formation of ice layers on highly oriented pyrolytic graphite are shown.
Integrated modelling of nitrate loads to coastal waters and land rent applied to catchment-scale water management

DEFF Research Database (Denmark)

Refsgaard, A.; Jacobsen, T.; Jacobsen, Brian H.

2007-01-01

The EU Water Framework Directive (WFD) requires an integrated approach to river basin management in order to meet environmental and ecological objectives. This paper presents concepts and full-scale application of an integrated modelling framework. The Ringkoebing Fjord basin is characterized by ...... the potential and limitations of comprehensive, integrated modelling tools. ......The EU Water Framework Directive (WFD) requires an integrated approach to river basin management in order to meet environmental and ecological objectives. This paper presents concepts and full-scale application of an integrated modelling framework. The Ringkoebing Fjord basin is characterized...... by intensive agricultural production and leakage of nitrate constitute a major pollution problem with respect groundwater aquifers (drinking water), fresh surface water systems (water quality of lakes) and coastal receiving waters (eutrophication). The case study presented illustrates an advanced modelling...
Whole-tree water transport scales with sapwood capacitance in tropical forest canopy trees.

Science.gov (United States)

F.C. Meinzer; S.A. James; G. Goldstein; D. Woodruff

2003-01-01

The present study examines the manner in which several whole-tree water transport properties scale with species specific variation in sapwood water storage capacity. The hypothesis that constraints on relationships between sapwood capacitance and other water relations characteristics lead to predictable scaling relationships between intrinsic capacitance and whole-tree...
The Saskatchewan River Basin - a large scale observatory for water security research (Invited)

Science.gov (United States)

Wheater, H. S.

2013-12-01

The 336,000 km2 Saskatchewan River Basin (SaskRB) in Western Canada illustrates many of the issues of Water Security faced world-wide. It poses globally-important science challenges due to the diversity in its hydro-climate and ecological zones. With one of the world's more extreme climates, it embodies environments of global significance, including the Rocky Mountains (source of the major rivers in Western Canada), the Boreal Forest (representing 30% of Canada's land area) and the Prairies (home to 80% of Canada's agriculture). Management concerns include: provision of water resources to more than three million inhabitants, including indigenous communities; balancing competing needs for water between different uses, such as urban centres, industry, agriculture, hydropower and environmental flows; issues of water allocation between upstream and downstream users in the three prairie provinces; managing the risks of flood and droughts; and assessing water quality impacts of discharges from major cities and intensive agricultural production. Superimposed on these issues is the need to understand and manage uncertain water futures, including effects of economic growth and environmental change, in a highly fragmented water governance environment. Key science questions focus on understanding and predicting the effects of land and water management and environmental change on water quantity and quality. To address the science challenges, observational data are necessary across multiple scales. This requires focussed research at intensively monitored sites and small watersheds to improve process understanding and fine-scale models. To understand large-scale effects on river flows and quality, land-atmosphere feedbacks, and regional climate, integrated monitoring, modelling and analysis is needed at large basin scale. And to support water management, new tools are needed for operational management and scenario-based planning that can be implemented across multiple scales and
Cold atoms close to surfaces

DEFF Research Database (Denmark)

Krüger, Peter; Wildermuth, Stephan; Hofferberth, Sebastian

2005-01-01

Microscopic atom optical devices integrated on atom chips allow to precisely control and manipulate ultra-cold (T atoms and Bose-Einstein condensates (BECs) close to surfaces. The relevant energy scale of a BEC is extremely small (down to ... be utilized as a sensor for variations of the potential energy of the atoms close to the surface. Here we describe how to use trapped atoms as a measurement device and analyze the performance and flexibility of the field sensor. We demonstrate microscopic magnetic imaging with simultaneous high spatial...
Microstructural investigation of Sr-modified Al-15 wt%Si alloys in the range from micrometer to atomic scale.

Science.gov (United States)

Timpel, M; Wanderka, N; Vinod Kumar, G S; Banhart, J

2011-05-01

Strontium-modified Al-15 wt%Si casting alloys were investigated after 5 and 60 min of melt holding. The eutectic microstructures were studied using complementary methods at different length scales: focused ion beam-energy selective backscattered tomography, transmission electron microscopy and 3D atom probe. Whereas the samples after 5 min of melt holding show that the structure of eutectic Si changes into a fine fibrous morphology, the increase of prolonged melt holding (60 min) leads to the loss of Sr within the alloy with an evolution of an unmodified eutectic microstructure displaying coarse interconnected Si plates. Strontium was found at the Al/Si eutectic interfaces on the side of the eutectic Al region, measured by 3D atom probe. The new results obtained using 3D atom probe shed light on the location of Sr within the Al-Si eutectic microstructure. Copyright © 2010 Elsevier B.V. All rights reserved.
Optimizing basin-scale coupled water quantity and water quality management with stochastic dynamic programming

DEFF Research Database (Denmark)

Davidsen, Claus; Liu, Suxia; Mo, Xingguo

2015-01-01

Few studies address water quality in hydro-economic models, which often focus primarily on optimal allocation of water quantities. Water quality and water quantity are closely coupled, and optimal management with focus solely on either quantity or quality may cause large costs in terms of the oth......-er component. In this study, we couple water quality and water quantity in a joint hydro-economic catchment-scale optimization problem. Stochastic dynamic programming (SDP) is used to minimize the basin-wide total costs arising from water allocation, water curtailment and water treatment. The simple water...... quality module can handle conservative pollutants, first order depletion and non-linear reactions. For demonstration purposes, we model pollutant releases as biochemical oxygen demand (BOD) and use the Streeter-Phelps equation for oxygen deficit to compute the resulting min-imum dissolved oxygen...
Absolute fragmentation cross sections in atom-molecule collisions : Scaling laws for non-statistical fragmentation of polycyclic aromatic hydrocarbon molecules

NARCIS (Netherlands)

Chen, T.; Gatchell, M.; Stockett, M. H.; Alexander, J. D.; Zhang, Y.; Rousseau, P.; Domaracka, A.; Maclot, S.; Delaunay, R.; Adoui, L.; Huber, B. A.; Schlathölter, T.; Schmidt, H. T.; Cederquist, H.; Zettergren, H.

2014-01-01

We present scaling laws for absolute cross sections for non-statistical fragmentation in collisions between Polycyclic Aromatic Hydrocarbons (PAH/PAH+) and hydrogen or helium atoms with kinetic energies ranging from 50 eV to 10 keV. Further, we calculate the total fragmentation cross sections
Intracellular Nitrate of Marine Diatoms as a Driver of Anaerobic Nitrogen Cycling in Sinking Aggregates

Directory of Open Access Journals (Sweden)

Anja Kamp

2016-11-01

Full Text Available Diatom-bacteria aggregates are key for the vertical transport of organic carbon in the ocean. Sinking aggregates also represent pelagic microniches with intensified microbial activity, oxygen depletion in the center, and anaerobic nitrogen cycling. Since some of the aggregate-forming diatom species store nitrate intracellularly, we explored the fate of intracellular nitrate and its availability for microbial metabolism within anoxic diatom-bacteria aggregates. The ubiquitous nitrate-storing diatom Skeletonema marinoi was studied as both axenic cultures and laboratory-produced diatom-bacteria aggregates. Stable 15N isotope incubations under dark and anoxic conditions revealed that axenic S. marinoi is able to reduce intracellular nitrate to ammonium that is immediately excreted by the cells. When exposed to a light:dark cycle and oxic conditions, S. marinoi stored nitrate intracellularly in concentrations > 60 mmol L-1 both as free-living cells and associated to aggregates. Intracellular nitrate concentrations exceeded extracellular concentrations by three orders of magnitude. Intracellular nitrate was used up within 2-3 days after shifting diatom-bacteria aggregates to dark and anoxic conditions. Thirty-one percent of the diatom-derived nitrate was converted to nitrogen gas, indicating that a substantial fraction of the intracellular nitrate pool of S. marinoi becomes available to the aggregate-associated bacterial community. Only 5% of the intracellular nitrate was reduced to ammonium, while 59% was recovered as nitrite. Hence, aggregate-associated diatoms accumulate nitrate from the surrounding water and sustain complex nitrogen transformations, including loss of fixed nitrogen, in anoxic, pelagic microniches. Additionally, it may be expected that intracellular nitrate not converted before the aggregates have settled onto the seafloor could fuel benthic nitrogen transformations.
Scaling of water vapor in the meso-gamma (2-20km) and lower meso-beta (20-50km) scales from tall tower time series

Science.gov (United States)

Pressel, K. G.; Collins, W.; Desai, A. R.

2011-12-01

Deficiencies in the parameterization of boundary layer clouds in global climate models (GCMs) remains one of the greatest sources of uncertainty in climate change predictions. Many GCM cloud parameterizations, which seek to include some representation of subgrid-scale cloud variability, do so by making assumptions regarding the subgrid-scale spatial probability density function (PDF) of total water content. Properly specifying the form and parameters of the total water PDF is an essential step in the formulation of PDF based cloud parameterizations. In the cloud free boundary layer, the PDF of total water mixing ratio is equivalent to the PDF of water vapor mixing ratio. Understanding the PDF of water vapor mixing ratio in the cloud free atmosphere is a necessary step towards understanding the PDF of water vapor in the cloudy atmosphere. A primary challenge in empirically constraining the PDF of water vapor mixing ratio is a distinct lack of a spatially distributed observational dataset at or near cloud scale. However, at meso-beta (20-50km) and larger scales, there is a wealth of information on the spatial distribution of water vapor contained in the physically retrieved water vapor profiles from the Atmospheric Infrared Sounder onboard NASA`s Aqua satellite. The scaling (scale-invariance) of the observed water vapor field has been suggested as means of using observations at satellite observed (meso-beta) scales to derive information about cloud scale PDFs. However, doing so requires the derivation of a robust climatology of water vapor scaling from in-situ observations across the meso- gamma (2-20km) and meso-beta scales. In this work, we present the results of the scaling of high frequency (10Hz) time series of water vapor mixing ratio as observed from the 447m WLEF tower located near Park Falls, Wisconsin. Observations from a tall tower offer an ideal set of observations with which to investigate scaling at meso-gamma and meso-beta scales requiring only the
Catchment scale water resource constraints on UK policies for low-carbon energy system transition

Science.gov (United States)

Konadu, D. D.; Fenner, R. A.

2017-12-01

Long-term low-carbon energy transition policy of the UK presents national scale propositions of different low-carbon energy system options that lead to meeting GHG emissions reduction target of 80% on 1990 levels by 2050. Whilst national-scale assessments suggests that water availability may not be a significant constrain on future thermal power generation systems in this pursuit, these analysis fail to capture the appropriate spatial scale where water resource decisions are made, i.e. at the catchment scale. Water is a local resource, which also has significant spatio-temporal regional and national variability, thus any policy-relevant water-energy nexus analysis must be reflective of these characteristics. This presents a critical challenge for policy relevant water-energy nexus analysis. This study seeks to overcome the above challenge by using a linear spatial-downscaling model to allocate nationally projected water-intensive energy system infrastructure/technologies to the catchment level, and estimating the water requirements for the deployment of these technologies. The model is applied to the UK Committee on Climate Change Carbon Budgets to 2030 as a case study. The paper concludes that whilst national-scale analyses show minimal long-term water related impacts, catchment level appraisal of water resource requirements reveal significant constraints in some locations. The approach and results presented in this study thus, highlights the importance of bringing together scientific understanding, data and analysis tools to provide better insights for water-energy nexus decisions at the appropriate spatial scale. This is particularly important for water stressed regions where the water-energy nexus must be analysed at appropriate spatial resolution to capture the full water resource impact of national energy policy.
The geopotential value W 0 for specifying the relativistic atomic time scale and a global vertical reference system

Czech Academy of Sciences Publication Activity Database

Burša, Milan; Kenyon, S.; Kouba, J.; Šíma, Zdislav; Vatrt, V.; Vítek, V.; Vojtíšková, M.

2007-01-01

Roč. 81, č. 2 (2007), s. 103-110 ISSN 0949-7714 R&D Projects: GA ČR GA205/05/2381 Institutional research plan: CEZ:AV0Z10030501 Keywords : geopotential * vertical datum unification * relativistic atomic time scale Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 1.636, year: 2007
Experiments and modeling of discharge characteristics in water-mist sprays generated by pressure-swirl atomizers

Science.gov (United States)

Santangelo, Paolo E.

2012-12-01

Pressure-swirl atomizers are often employed to generate a water-mist spray, typically employed in fire suppression. In the present study, an experimental characterization of dispersion (velocity and cone angle) and atomization (drop-size axial evolution) was carried out following a previously developed methodology, with specific reference to the initial region of the spray. Laser-based techniques were used to quantitatively evaluate the considered phenomena: velocity field was reconstructed through a Particle Image Velocimetry analysis; drop-size distribution was measured by a Malvern Spraytec device, highlighting secondary atomization and subsequent coalescence along the spray axis. Moreover, a comprehensive set of relations was validated as predictive of the involved parameters, following an inviscid-fluid approach. The proposed model pertains to early studies on pressure-swirl atomizers and primarily yields to determine both initial velocity and cone angle. The spray thickness is also predicted and a classic correlation for Sauter Mean Diameter is shown to provide good agreement with experimental results. The analysis was carried out at the operative pressure of 80 bar; two injectors were employed featuring different orifice diameters and flow numbers, as a sort of parametric approach to this spray typology.
Small Scale Irrigation within Water, Energy and Food Nexus Framework in Ethiopia.

Science.gov (United States)

Gerik, T.; Worqlul, A. W.; Yihun, D.; Bizimana, J. C.; Jeong, J.; Schmitter, P.; Srinivasan, R.; Richardson, J. W.; Clark, N.

2017-12-01

This study presents the nexus of food, energy and water framework in the context of small scale irrigation for vegetable production during the dry season in an irrigated agriculture system in Ethiopia. The study is based on detailed data collected in three sites of the Innovation Lab for Small Scale Irrigation (ILSSI) project in Ethiopia. The sites were Robit, Dangishta and Lemo and detailed field data was collected in 18 households in each site. The field data collected includes crop management (such as irrigation amount and dates, fertilizer rates, tillage practices, irrigation technologies, etc.) and agricultural production (crop yield, biomass, etc.) on tomato, onion and cabbage during the dry season. Four different water lifting technologies - namely rope with pulley and bucket, rope and washer pump, solar pump and motor pump - were used for water withdrawal from shallow groundwater wells. The Soil and Water Assessment Tool (SWAT) and Agricultural Policy Environmental eXtender (APEX) models were used in an integrated manner to assess water resource potential and develop water use efficiency of vegetables, which is a relationship between amount of water applied and vegetable yield. The water use efficiency for each vegetable crops were translated into energy requirement as pumping hours and potential irrigable areas for the water lifting technologies. This integrated approach was found useful to optimize water and energy use for sustainable food production using small scale irrigation. The holistic approach will not only provide a significant contribution to achieving food self-sufficiency, but will also be effective for optimizing agricultural input. Keyword: small scale irrigation, integrated modeling, water lifting technology, East Africa
Data assimilation in optimizing and integrating soil and water quality water model predictions at different scales

Science.gov (United States)

Relevant data about subsurface water flow and solute transport at relatively large scales that are of interest to the public are inherently laborious and in most cases simply impossible to obtain. Upscaling in which fine-scale models and data are used to predict changes at the coarser scales is the...
Distortions of the calcite and aragonite atomic structures from interstitial water

Energy Technology Data Exchange (ETDEWEB)

Sinha, S.; Rez, P., E-mail: Peter.Rez@asu.edu

2015-05-01

Amorphous calcium carbonate (ACC), as observed by diffraction or infra-red spectroscopy, is especially significant as a precursor in biomineralization. The atomic structure and mechanisms for transformation to the crystalline phases are still unknown. It is conceivable that insertion of water molecules could give rise to distortions that result in the observed diffraction patterns and infrared spectra. We use the VASP density functional theory code to relax model supercells with 24 formula units of CaCO{sub 3} where we have inserted up to 5 water molecules, corresponding to 3.75 wt%. The main effect is tilting of the carbonate planes, which can be as high as 50°. This leads to a range of Ca–O distances that are consistent with the observed changes in the IR spectra in ACC. The spread in cation–cation distances is not enough to destroy coherent diffraction from regions 70 nm across, and so does not explain amorphous diffraction profiles. - Highlights: • Low concentrations of water in the calcite or aragonite structures lead to tilting of the carbonate planes. • This is consistent with IR observations from amorphous calcium carbonate. • It does not explain amorphous diffraction patterns.
Cerebral NMR spectroscopy to study intracellular space in vivo: methodological development for diffusion weighted spectroscopy at short time scale and for pH measurement using 31P detection

International Nuclear Information System (INIS)

Marchadour, Charlotte

2013-01-01

NMR spectroscopy is a unique modality to evaluate intracellular environment in vivo. Indeed observed molecules are specifically intracellular and generally have a biochemistry role and a specific cellular compartmentation. That could be a useful tool to understand cell functioning in their environment. My thesis work consisted in development of new sequence in both diffusion and phosphorus NMR spectroscopy.My first study was to develop a diffusion-weighted spectroscopy at ultra-short diffusion time to look at the anomalous diffusion in the rat brain. ADC evolution as a function of time shows that brain metabolites motion is mainly due to random diffusion and that active transport (if exist) are negligible. Data modeling evidences that diffusion at short diffusion time is sensitive to cytoplasm viscosity and short scale crowding. In collaboration with the pharmaceutical company, this technique was chosen to follow up transgenic mice (rTg4510), model of tau pathology. Preliminary results show significant differences of ADC at an early stage of neuro-degenerescence (3 and 6 months).Phosphorus spectroscopy allows observation of metabolites directly implicated in energetic processes. During this thesis, localization sequences were developed to measure intracellular pH in the primate striatum. These sequences are supposed to be used to evaluate the potential of pH as a bio-marker of neuro-degenerescence in a phenotypic model of the Huntington disease in the non-human primate. (author) [fr
Ultrastrong Carbon Thin Films from Diamond to Graphene under Extreme Conditions: Probing Atomic Scale Interfacial Mechanisms to Achieve Ultralow Friction and Wear

Science.gov (United States)

2016-12-08

tribological behavior of hard carbon materials during initial sliding contact, in order to understand what controls and enables the transition from high to...publication. Our goal is to characterize and understand the atomic-scale mechanisms governing the tribological behavior (friction and wear) of hard carbon...affecting the sliding behavior of these materials, including: rehybridization from sp3 to sp2-bonding of the C atoms20, formation of bonds across the

Linking electricity and water models to assess electricity choices at water-relevant scales

International Nuclear Information System (INIS)

Sattler, S; Rogers, J; Macknick, J; Lopez, A; Yates, D; Flores-Lopez, F

2012-01-01

Hydrology/water management and electricity generation projections have been modeled separately, but there has been little effort in intentionally and explicitly linking the two sides of the water–energy nexus. This paper describes a platform for assessing power plant cooling water withdrawals and consumption under different electricity pathways at geographic and time scales appropriate for both electricity and hydrology/water management. This platform uses estimates of regional electricity generation by the Regional Energy Deployment System (ReEDS) as input to a hydrologic and water management model—the Water Evaluation and Planning (WEAP) system. In WEAP, this electricity use represents thermoelectric cooling water withdrawals and consumption within the broader, regional water resource context. Here we describe linking the electricity and water models, including translating electricity generation results from ReEDS-relevant geographies to the water-relevant geographies of WEAP. The result of this analysis is water use by the electric sector at the regional watershed level, which is used to examine the water resource implications of these electricity pathways. (letter)
Fabrication Of Atomic-scale Gold Junctions By Electrochemical Plating Technique Using A Common Medical Disinfectant

Science.gov (United States)

Umeno, Akinori; Hirakawa, Kazuhiko

2005-06-01

Iodine tincture, a medical liquid familiar as a disinfectant, was introduced as an etching/deposition electrolyte for the fabrication of nanometer-separated gold electrodes. In the gold dissolved iodine tincture, the gold electrodes were grown or eroded slowly in atomic scale, enough to form quantum point contacts. The resistance evolution during the electrochemical deposition showed plateaus at integer multiples of the resistance quantum, (2e2/h)-1, at the room temperature. The iodine tincture is a commercially available common material, which makes the fabrication process to be the simple and cost effective. Moreover, in contrast to the conventional electrochemical approaches, this method is free from highly toxic cyanide compounds or extraordinary strong acid. We expect this method to be a useful interface between single-molecular-scale structures and macroscopic opto-electronic devices.
Cold atoms in singular potentials

International Nuclear Information System (INIS)

Denschlag, J. P.

1998-09-01

We studied both theoretically and experimentally the interaction between cold Li atoms from a magnetic-optical trap (MOT) and a charged or current-carrying wire. With this system, we were able to realize 1/r 2 and 1/r potentials in two dimensions and to observe the motion of cold atoms in both potentials. For an atom in an attractive 1/r 2 potential, there exist no stable trajectories, instead there is a characteristic class of trajectories for which atoms fall into the singularity. We were able to observe this falling of atoms into the center of the potential. Moreover, by probing the singular 1/r 2 potential with atomic clouds of varying size and temperature we extracted scaling properties of the atom-wire interaction. For very cold atoms, and very thin wires the motion of the atoms must be treated quantum mechanically. Here we predict that the absorption cross section for the 1/r 2 potential should exhibit quantum steps. These quantum steps are a manifestation of the quantum mechanical decomposition of plane waves into partial waves. For the second part of this work, we realized a two dimensional 1/r potential for cold atoms. If the potential is attractive, the atoms can be bound and follow Kepler-like orbits around the wire. The motion in the third dimension along the wire is free. We were able to exploit this property and constructed a novel cold atom guide, the 'Kepler guide'. We also demonstrated another type of atom guide (the 'side guide'), by combining the magnetic field of the wire with a homogeneous offset magnetic field. In this case, the atoms are held in a potential 'tube' on the side of the wire. The versatility, simplicity, and scaling properties of this guide make it an interesting technique. (author)
Elemental and Isotopic Tomography at Single-Atom-Scale in 4.0 and 2.4 Ga Zircons

Science.gov (United States)

Valley, J. W.; Reinhard, D. A.; Snoeyenbos, D.; Lawrence, D.; Martin, I.; Kelly, T. F.; Ushikubo, T.; Strickland, A.; Cavosie, A. J.

2012-12-01

Atom probe tomography can determine identity (mass/charge ratio) and 3-D position of individual atoms in minerals such as zircon. These data provide unique information for understanding the thermal history and mechanisms of mineral reaction and exchange, including radiation damage. Nine needle-shaped specimens ~100 nm in diameter (at the apex) were sampled from 2 zircons by FIB and analyzed with a local-electrode atom probe (LEAP), CAMECA LEAP 4000X HR. The LEAP uses pulsed-laser heating to field evaporate the tip of a zircon needle and accelerates the ions into a position-sensitive TOF-MS. With due care for complex isobaric interferences (molecules, multiple ionizations) and background correction, it is possible to individually identify up to 10E8 atoms/needle (36% detection efficiency) by mass/charge (MRP ~ 1000@ m/n=16Da) and position (X-Y-Z coordinates on 0.2 nm scale) (Kelly & Larson 2012). The 3-D distribution of Pb and Y differ at atom-scale in the 2 zircons. Zircon #1 (4007 Ma, Jack Hills, W. Australia, Cavosie 2005, Ushikubo et al. 2008, Bouvier et al. 2011) is homogeneous in Pb and Y. In contrast, incompatible elements, including Pb and Y, are concentrated in equant 5-10 nm dia. domains, spaced ~50 nm apart in zircon #2 (2438 Ma, Albion-Raft R-Grouse Ck core complex, Utah, Strickland et al. 2011). U is homogeneously distributed in both zircons. The analyzed domains suffered 4-8 x 10E15 α-decay events/mg due to U and Th decay and yet both zircons yield >97% concordant U-Pb ages by SIMS, suggesting annealing of radiation damage during the life of the zircons. The 207-Pb/206-Pb ratios for these nm-scale domains, as measured by LEAP, average 0.17 for the 2.4 Ga Zrc2 (3 needles) and 0.43 for the 4.0 Ga Zrc1 (5 needles). These ratios are less precise (±40% 2σ) due to ultra-small sample size, but are in excellent agreement with values measured by SIMS, 0.1684 and 0.4269, respectively. Thus Pb in both zircons is radiogenic. The Pb-Y-rich domains and lack of
Present status and perspective of Japanese atomic energy industry

International Nuclear Information System (INIS)

Miura, Kenzo

1990-01-01

Already 35 years are going to elapse since atomic energy industry was founded in Japan, and the positive development has been carried out in the nuclear power generation mainly with light water reactors as the base energy, as the result, now both the result of electric power generation and the technology have reached the highest level in the world. These are due to the accumulation of efforts, the preponderant assignment of able men and the positive investment for the research and development of the atomic energy industry. However, since 1985, the slowdown of power reactor development, the practical use of new type power reactors such as fast breeder reactors and the establishment of nuclear fuel cycle such as uranium enrichment and fuel reprocessing have been the new situation to be dealt with. In order to properly and flexibly cope with such change of situation, the healthy development of the atomic energy industry so as to secure the market on a certain scale and develop the business with responsibility is indispensable. The outlay of electric power industry related to atomic energy, the development of atomic energy market and the sales of mining and manufacturing industries, the trend of research and development and personnel, and the perspective and subjects of hereafter are reported. (K.I.)
Atomic-scale studies on the effect of boundary coherency on stability in twinned Cu

Energy Technology Data Exchange (ETDEWEB)

Niu, Rongmei; Han, Ke, E-mail: han@magnet.fsu.edu; Su, Yi-Feng; Salters, Vincent J. [National High Magnetic Field Laboratory, 1800 E. Paul Dirac Drive, Tallahassee, Florida 32310 (United States)

2014-01-06

The stored energy and hardness of nanotwinned (NT) Cu are related to interaction between dislocations and (111)-twin boundaries (TBs) studied at atomic scales by high-angle annular dark-field scanning transmission electron microscope. Lack of mobile dislocations at coherent TBs (CTBs) provides as-deposited NT Cu a rare combination of stability and hardness. The introduction of numerous incoherent TBs (ITBs) reduces both the stability and hardness. While storing more energy in their ITBs than in the CTBs, deformed NT Cu also exhibits high dislocation density and TB mobility and therefore has increased the driving force for recovery, coarsening, and recrystallization.
Atomic-scale studies on the effect of boundary coherency on stability in twinned Cu

Science.gov (United States)

Niu, Rongmei; Han, Ke; Su, Yi-Feng; Salters, Vincent J.

2014-01-01

The stored energy and hardness of nanotwinned (NT) Cu are related to interaction between dislocations and {111}-twin boundaries (TBs) studied at atomic scales by high-angle annular dark-field scanning transmission electron microscope. Lack of mobile dislocations at coherent TBs (CTBs) provides as-deposited NT Cu a rare combination of stability and hardness. The introduction of numerous incoherent TBs (ITBs) reduces both the stability and hardness. While storing more energy in their ITBs than in the CTBs, deformed NT Cu also exhibits high dislocation density and TB mobility and therefore has increased the driving force for recovery, coarsening, and recrystallization.
Atomic-scale investigation of interface-facilitated deformation twinning in severely deformed Ag-Cu nanolamellar composites

International Nuclear Information System (INIS)

An, X. H.; Cao, Y.; Liao, X. Z.; Zhu, S. M.; Nie, J. F.; Kawasaki, M.; Ringer, S. P.; Langdon, T. G.; Zhu, Y. T.

2015-01-01

We report an atomic-scale investigation of interface-facilitated deformation twinning behaviour in Ag-Cu nanolamellar composites. Profuse twinning activities in Ag supply partial dislocations to directly transmit across the Ag-Cu lamellar interface that promotes deformation twinning in the neighbouring Cu lamellae although the interface is severely deformed. The trans-interface twin bands change the local structure at the interface. Our analysis suggests that the orientation relationship and interfacial structure between neighbouring Ag-Cu lamellae play a crucial role in such special interface-facilitated twinning behaviour
Photoionization microscopy of hydrogen atom near a metal surface

International Nuclear Information System (INIS)

Yang Hai-Feng; Wang Lei; Liu Xiao-Jun; Liu Hong-Ping

2011-01-01

We have studied the ionization of Rydberg hydrogen atom near a metal surface with a semiclassical analysis of photoionization microscopy. Interference patterns of the electron radial distribution are calculated at different scaled energies above the classical saddle point and at various atom—surface distances. We find that different types of trajectories contribute predominantly to different manifolds in a certain interference pattern. As the scaled energy increases, the structure of the interference pattern evolves smoothly and more types of trajectories emerge. As the atom approaches the metal surface closer, there are more types of trajectories contributing to the interference pattern as well. When the Rydberg atom comes very close to the metal surface or the scaled energy approaches the zero field ionization energy, the potential induced by the metal surface will make atomic system chaotic. The results also show that atoms near a metal surface exhibit similar properties like the atoms in the parallel electric and magnetic fields. (atomic and molecular physics)
Nonflame atomic absorption determination of total mercury in natural waters using an HS-3 mercury-hydride system

Energy Technology Data Exchange (ETDEWEB)

Evdokimova, E.V.; Solov`eva, M.Kh.; Telegin, G.F. [Institute of Problems in the Technology of Microelectronics and High-Purity Materials, Moscow (Russian Federation)

1995-02-01

A method for nonflame atomic absorption determination of mercury with a detection limit of 1 x 10{sup -3} {mu}g/ml in natural waters without preconcentration is described. The method can be applied successfully in analysis of the environment.
Moditored unsaturated soil transport processes as a support for large scale soil and water management

Science.gov (United States)

Vanclooster, Marnik

2010-05-01

The current societal demand for sustainable soil and water management is very large. The drivers of global and climate change exert many pressures on the soil and water ecosystems, endangering appropriate ecosystem functioning. The unsaturated soil transport processes play a key role in soil-water system functioning as it controls the fluxes of water and nutrients from the soil to plants (the pedo-biosphere link), the infiltration flux of precipitated water to groundwater and the evaporative flux, and hence the feed back from the soil to the climate system. Yet, unsaturated soil transport processes are difficult to quantify since they are affected by huge variability of the governing properties at different space-time scales and the intrinsic non-linearity of the transport processes. The incompatibility of the scales between the scale at which processes reasonably can be characterized, the scale at which the theoretical process correctly can be described and the scale at which the soil and water system need to be managed, calls for further development of scaling procedures in unsaturated zone science. It also calls for a better integration of theoretical and modelling approaches to elucidate transport processes at the appropriate scales, compatible with the sustainable soil and water management objective. Moditoring science, i.e the interdisciplinary research domain where modelling and monitoring science are linked, is currently evolving significantly in the unsaturated zone hydrology area. In this presentation, a review of current moditoring strategies/techniques will be given and illustrated for solving large scale soil and water management problems. This will also allow identifying research needs in the interdisciplinary domain of modelling and monitoring and to improve the integration of unsaturated zone science in solving soil and water management issues. A focus will be given on examples of large scale soil and water management problems in Europe.
Atomic switch: atom/ion movement controlled devices for beyond von-neumann computers.

Science.gov (United States)

Hasegawa, Tsuyoshi; Terabe, Kazuya; Tsuruoka, Tohru; Aono, Masakazu

2012-01-10

An atomic switch is a nanoionic device that controls the diffusion of metal ions/atoms and their reduction/oxidation processes in the switching operation to form/annihilate a conductive path. Since metal atoms can provide a highly conductive channel even if their cluster size is in the nanometer scale, atomic switches may enable downscaling to smaller than the 11 nm technology node, which is a great challenge for semiconductor devices. Atomic switches also possess novel characteristics, such as high on/off ratios, very low power consumption and non-volatility. The unique operating mechanisms of these devices have enabled the development of various types of atomic switch, such as gap-type and gapless-type two-terminal atomic switches and three-terminal atomic switches. Novel functions, such as selective volatile/nonvolatile, synaptic, memristive, and photo-assisted operations have been demonstrated. Such atomic switch characteristics can not only improve the performance of present-day electronic systems, but also enable development of new types of electronic systems, such as beyond von- Neumann computers. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
The use of atomic absorption spectroscopy to measure arsenic, selenium, molybdenum, and vanadium in water and soil samples from uranium mill tailings sites

International Nuclear Information System (INIS)

Hollenbach, M.H.

1988-01-01

The Technical Measurements Center (TMC) was established to support the environmental measurement needs of the various DOE remedial action programs. A laboratory intercomparison study conducted by the TMC, using soil and water samples from sites contaminated by uranium mill tailings, indicated large discrepancies in analytical results reported by participating laboratories for arsenic, selenium, molybdenum, and vanadium. The present study was undertaken to investigate the most commonly used analytical techniques for measuring these four elements, ascertain routine and reliable quantification, and assess problems and successes of analysts. Based on a survey of the technical literature, the analytical technique of atomic absorption spectroscopy was selected for detailed study. The application of flame atomic absorption, graphite furnace atomic absorption, and hydride generation atomic absorption to the analysis of tailings-contaminated samples is discussed. Additionally, laboratory sample preparation methods for atomic absorption spectroscopy are presented. The conclusion of this report is that atomic absorption can be used effectively for the determination of arsenic, selenium, molybdenum, and vanadium in water and soil samples if the analyst understands the measurement process and is aware of potential problems. The problem of accurate quantification of arsenic, selenium, molybdenum, and vanadium in water and soil contaminated by waste products from uranium milling operations affects all DOE remedial action programs [Surplus Facilities Management Program (SFMP), Formerly Utilized Site Remedial Action Program (FUSRAP), and Uranium Mill Tailings Remedial Action Program (UMTRAP)], since all include sites where uranium was processed. 96 refs., 9 figs
Determination of mercury, lead and cadmium in water by the CRA-atomic absorption spectrophotometry with solvent extraction

International Nuclear Information System (INIS)

Shim, Y.B.; Won, M.S.; Kim, C.J.

1980-01-01

The method of CRA-atomic absorption spectrophotometer with solvent extraction for the determination of mercury, lead and cadmium in water was studied. The optimum extracting conditions for CRA-atomic absorption spectrophotometry were the following: the complexes of mercury, lead and cadmium with dithizone were separated from the aqueous solution and concentrated into the 10 ml chloroform solution. Back extraction was performed; the concentrated mercury, lead and cadmium was extracted from the chloroform solution into the 10 ml 6-normal aqueous hydrochloric acid solution. In this case, recovery ratios were the following: mercury was 94.7%, lead 97.7% and cadmium 103.6%. The optimum operating conditions for the determination of mercury, lead and cadmium by the CRA-atomic absorption spectrophotometry also were investigated to test the dry step, ash step and atomization step for each metal. The experimental results of standard addition method were the following: the determination limit of each metal within 6% relative deviation was that lead was 0.04 ppb, and cadmium 0.01 ppb. Especially, mercury has been known impossible to determine by CRA-atomic absorption spectrophotometry until now. But in this study, mercury can be determined with CRA-atomic absorption spectrophotometer. Its determination limit was 4 ppb within 8% relative deviation. (author)
On linear correlation between interfacial tension of water-solvent interface solubility of water in organic solvents and parameters of diluent effect scale

International Nuclear Information System (INIS)

Mezhov, Eh.A.; Khananashvili, N.L.; Shmidt, V.S.

1988-01-01

Presence of linear correlation between water solubility in nonmiscible with it organic solvents, interfacial tension of water-solvent interface, on the one hand, and solvent effect scale parameters and these solvents π* - on the other hand, is established. It allows, using certain tabular parameters of solvent effect or each solvent π*, to predict values of interfacial tension and water solubility for corresponding systems. It is shown, that solvent effect scale allows to predict values more accurately, than other known solvent scales, as it in contrast to other scales characterizes solvents, which are in equilibrium with water
Quantized edge modes in atomic-scale point contacts in graphene

Science.gov (United States)

Kinikar, Amogh; Phanindra Sai, T.; Bhattacharyya, Semonti; Agarwala, Adhip; Biswas, Tathagata; Sarker, Sanjoy K.; Krishnamurthy, H. R.; Jain, Manish; Shenoy, Vijay B.; Ghosh, Arindam

2017-07-01

The zigzag edges of single- or few-layer graphene are perfect one-dimensional conductors owing to a set of gapless states that are topologically protected against backscattering. Direct experimental evidence of these states has been limited so far to their local thermodynamic and magnetic properties, determined by the competing effects of edge topology and electron-electron interaction. However, experimental signatures of edge-bound electrical conduction have remained elusive, primarily due to the lack of graphitic nanostructures with low structural and/or chemical edge disorder. Here, we report the experimental detection of edge-mode electrical transport in suspended atomic-scale constrictions of single and multilayer graphene created during nanomechanical exfoliation of highly oriented pyrolytic graphite. The edge-mode transport leads to the observed quantization of conductance close to multiples of G0 = 2e2/h. At the same time, conductance plateaux at G0/2 and a split zero-bias anomaly in non-equilibrium transport suggest conduction via spin-polarized states in the presence of an electron-electron interaction.
Fate of cyanobacteria and their metabolites during water treatment sludge management processes

Energy Technology Data Exchange (ETDEWEB)

Ho, Lionel, E-mail: lionel.ho@sawater.com.au [Australian Water Quality Centre, SA Water Corporation, 250 Victoria Square, Adelaide, SA 5000 (Australia); Centre for Water Management and Reuse, University of South Australia, Mawson Lakes, SA 5095 (Australia); Dreyfus, Jennifer; Boyer, Justine; Lowe, Todd [Australian Water Quality Centre, SA Water Corporation, 250 Victoria Square, Adelaide, SA 5000 (Australia); Bustamante, Heriberto; Duker, Phil [Sydney Water, PO Box 399, Parramatta, NSW 2124 (Australia); Meli, Tass [TRILITY Pty Ltd, PO Box 86, Appin, NSW 2560 (Australia); Newcombe, Gayle [Australian Water Quality Centre, SA Water Corporation, 250 Victoria Square, Adelaide, SA 5000 (Australia); Centre for Water Management and Reuse, University of South Australia, Mawson Lakes, SA 5095 (Australia)

2012-05-01

Cyanobacteria and their metabolites are an issue for water authorities; however, little is known as to the fate of coagulated cyanobacterial-laden sludge during waste management processes in water treatment plants (WTPs). This paper provides information on the cell integrity of Anabaena circinalis and Cylindrospermopsis raciborskii during: laboratory-scale coagulation/sedimentation processes; direct filtration and backwashing procedures; and cyanobacterial-laden sludge management practices. In addition, the metabolites produced by A. circinalis (geosmin and saxitoxins) and C. raciborskii (cylindrospermopsin) were investigated with respect to their release (and possible degradation) during each of the studied processes. Where sedimentation was used, coagulation effectively removed cyanobacteria (and intracellular metabolites) without any considerable exertion on coagulant demand. During direct filtration experiments, cyanobacteria released intracellular metabolites through a stagnation period, suggesting that more frequent backwashing of filters may be required to prevent floc build-up and metabolite release. Cyanobacteria appeared to be protected within the flocs, with minimal damage during backwashing of the filters. Within coagulant sludge, cyanobacteria released intracellular metabolites into the supernatant after 3 d, even though cells remained viable up to 7 d. This work has improved the understanding of cyanobacterial metabolite risks associated with management of backwash water and sludge and is likely to facilitate improvements at WTPs, including increased monitoring and the application of treatment strategies and operational practices, with respect to cyanobacterial-laden sludge and/or supernatant recycle management. - Highlights: Black-Right-Pointing-Pointer Coagulation removed cyanobacteria without an additional exertion on coagulant demand. Black-Right-Pointing-Pointer During a stagnation period in direct filtration intracellular metabolites were
A Study on the Effects of the Use of Gas or Water Atomized AISI 316L Steel Powder on the Corrosion Resistance of Laser Deposited Material

Science.gov (United States)

Tobar, M. J.; Amado, J. M.; Montero, J.; Yáñez, A.

Water atomized and gas atomized powders are commonly used in 3D laser manufacturing. Both types of AISI 316L stainless steel powders are available which differ in their manganese content. This is due to specific procedures related to the two different atomization process. The amount of manganese in the laser processed part might have important implications in its corrosion resistance. It could lead to the formation of manganese sulfides (MnS) which are known to be initiation sites for pitting corrosion. In this work, corrosion performance of laser deposited 316L steel using gas and atomized powders is compared by means of potentiodynamic polarization tests in 0.35%wt. NaCL solution. Worse performance of the gas atomized samples is observed as with respect to the water atomized ones in terms of polarization resistance, corrosion rate and pitting susceptibility.
Application of extraction-chromatographic concentration to atomic absorption determination of lead and cadmium in drinking and sea water

International Nuclear Information System (INIS)

Bol'shova, T.A.; Agapkina, G.I.; Ershova, N.I.; Narankho, K.E.

1988-01-01

To increase the detection limits for lead and cadmium atomic-absorption determination in natural waters methods of extraction-chromatographic concentration of these metals using tri-n-octylamine (TOA) on polytetrafluoroethylene (PTFE) is developed. Chromatograpy was carried out from 1.5-2.0 M HBr solutions. For cadmium and lead elution acetic acid was used. It is shown that extraction-chromatographic concentration permits to decrease limits of metal atomic-absorption detection by 10 3 with the 500 ml volume sample analysis
Water-safety strategies and local-scale spatial quality

NARCIS (Netherlands)

Nillesen, A.L.

2013-01-01

Delta regions throughout the world are subject to increasing flood risks. For protection, regional water safety strategies are being developed. Local-scale spatial qualities should be included in their evaluation. An experimental methodology has been developed for this purpose. This paper

Analysis of intracellular and extracellular microcystin variants in sediments and pore waters by accelerated solvent extraction and high performance liquid chromatography-tandem mass spectrometry

International Nuclear Information System (INIS)

Zastepa, Arthur; Pick, Frances R.; Blais, Jules M.; Saleem, Ammar

2015-01-01

Highlights: • First analytical method for intracellular microcystins (MCs) in sediment. • Includes a suite of variants (LR, 7dm LR, RR, YR, WR, LA, LF, LY, LW) and nodularin. • Reports the first measurements of MCs in sediment pore waters. • MCs detected in >100 year old lake sediments suggesting long-term preservation. • Sediment-pore water distribution (K d ) differed between variants suggesting differences in environmental fate. - Abstract: The fate and persistence of microcystin cyanotoxins in aquatic ecosystems remains poorly understood in part due to the lack of analytical methods for microcystins in sediments. Existing methods have been limited to the extraction of a few extracellular microcystins of similar chemistry. We developed a single analytical method, consisting of accelerated solvent extraction, hydrophilic–lipophilic balance solid phase extraction, and reversed phase high performance liquid chromatography-tandem mass spectrometry, suitable for the extraction and quantitation of both intracellular and extracellular cyanotoxins in sediments as well as pore waters. Recoveries of nine microcystins, representing the chemical diversity of microcystins, and nodularin (a marine analogue) ranged between 75 and 98% with one, microcystin-RR (MC-RR), at 50%. Chromatographic separation of these analytes was achieved within 7.5 min and the method detection limits were between 1.1 and 2.5 ng g −1 dry weight (dw). The robustness of the method was demonstrated on sediment cores collected from seven Canadian lakes of diverse geography and trophic states. Individual microcystin variants reached a maximum concentration of 829 ng g −1 dw on sediment particles and 132 ng mL −1 in pore waters and could be detected in sediments as deep as 41 cm (>100 years in age). MC-LR, -RR, and -LA were more often detected while MC-YR, -LY, -LF, and -LW were less common. The analytical method enabled us to estimate sediment-pore water distribution coefficients (K d
Analysis of intracellular and extracellular microcystin variants in sediments and pore waters by accelerated solvent extraction and high performance liquid chromatography-tandem mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Zastepa, Arthur, E-mail: arthur.zastepa@gmail.com; Pick, Frances R.; Blais, Jules M.; Saleem, Ammar

2015-05-04

Highlights: • First analytical method for intracellular microcystins (MCs) in sediment. • Includes a suite of variants (LR, {sup 7dm}LR, RR, YR, WR, LA, LF, LY, LW) and nodularin. • Reports the first measurements of MCs in sediment pore waters. • MCs detected in >100 year old lake sediments suggesting long-term preservation. • Sediment-pore water distribution (K{sub d}) differed between variants suggesting differences in environmental fate. - Abstract: The fate and persistence of microcystin cyanotoxins in aquatic ecosystems remains poorly understood in part due to the lack of analytical methods for microcystins in sediments. Existing methods have been limited to the extraction of a few extracellular microcystins of similar chemistry. We developed a single analytical method, consisting of accelerated solvent extraction, hydrophilic–lipophilic balance solid phase extraction, and reversed phase high performance liquid chromatography-tandem mass spectrometry, suitable for the extraction and quantitation of both intracellular and extracellular cyanotoxins in sediments as well as pore waters. Recoveries of nine microcystins, representing the chemical diversity of microcystins, and nodularin (a marine analogue) ranged between 75 and 98% with one, microcystin-RR (MC-RR), at 50%. Chromatographic separation of these analytes was achieved within 7.5 min and the method detection limits were between 1.1 and 2.5 ng g{sup −1} dry weight (dw). The robustness of the method was demonstrated on sediment cores collected from seven Canadian lakes of diverse geography and trophic states. Individual microcystin variants reached a maximum concentration of 829 ng g{sup −1} dw on sediment particles and 132 ng mL{sup −1} in pore waters and could be detected in sediments as deep as 41 cm (>100 years in age). MC-LR, -RR, and -LA were more often detected while MC-YR, -LY, -LF, and -LW were less common. The analytical method enabled us to estimate sediment-pore water
Photocatalytic Treatment of Shower Water Using a Pilot Scale Reactor

Directory of Open Access Journals (Sweden)

Yash Boyjoo

2012-01-01

Full Text Available Treatment of shower water deserves special consideration for reuse not only because of its low pollutant loading but also because it is produced in large quantities. In this study, a pilot scale study of photocatalytic degradation of impurities in real shower water was performed in a 31 L volume reactor using titanium dioxide as the photocatalyst. The reactor was operated in a continuous slurry recirculation mode. Several operational parameters were studied including the slurry initial pH, catalyst concentration, air flow rate, and slurry recirculation rate. Up to 57% of total organic carbon (TOC elimination was obtained after 6 hours of treatment (for 3.0 slurry initial pH, 0.07 gL−1 catalyst concentration, 1.8 Lmin−1 air flow rate, and 4.4 Lmin−1 slurry recirculation rate. This study showed that photocatalysis could be successfully transposed from bench scale to pilot scale. Furthermore, the ease of operation and the potential to use solar energy make photocatalysis an attractive prospect with respect to treatment of grey water.
A multi-scale relevance vector regression approach for daily urban water demand forecasting

Science.gov (United States)

Bai, Yun; Wang, Pu; Li, Chuan; Xie, Jingjing; Wang, Yin

2014-09-01

Water is one of the most important resources for economic and social developments. Daily water demand forecasting is an effective measure for scheduling urban water facilities. This work proposes a multi-scale relevance vector regression (MSRVR) approach to forecast daily urban water demand. The approach uses the stationary wavelet transform to decompose historical time series of daily water supplies into different scales. At each scale, the wavelet coefficients are used to train a machine-learning model using the relevance vector regression (RVR) method. The estimated coefficients of the RVR outputs for all of the scales are employed to reconstruct the forecasting result through the inverse wavelet transform. To better facilitate the MSRVR forecasting, the chaos features of the daily water supply series are analyzed to determine the input variables of the RVR model. In addition, an adaptive chaos particle swarm optimization algorithm is used to find the optimal combination of the RVR model parameters. The MSRVR approach is evaluated using real data collected from two waterworks and is compared with recently reported methods. The results show that the proposed MSRVR method can forecast daily urban water demand much more precisely in terms of the normalized root-mean-square error, correlation coefficient, and mean absolute percentage error criteria.
Atomic scale characterization of mismatched graphene layers

International Nuclear Information System (INIS)

Luican-Mayer, Adina; Li, Guohong; Andrei, Eva Y.

2017-01-01

Highlights: • Review of STM/STS of graphene with various degree of coupling. • Review of vertically twisted graphene with respect with each other. • Review of Landau levels in graphene layers weakly decoupled electronically. • Review of laterally twisted graphene forming grain boundaries. - Abstract: In the bourgeoning field of two dimensional layered materials and their atomically thin counterparts, it has been established that the electronic coupling between the layers of the material plays a key role in determining its properties [1,2]. We are just beginning to understand how each material is unique in that respect while working our way up to building new materials with functionalities enabled by interlayer interactions. In this review, we will focus on a system that despite its apparent simplicity possesses a wealth of intriguing physics: layers of graphene with various degree of coupling. The situations discussed here are graphene layers vertically twisted with respect with each other, weakly decoupled electronically and laterally twisted forming grain boundaries. We emphasize experiments that atomically resolve the electronic properties.
Magnetic separation of algae genetically modified for increased intracellular iron uptake

Energy Technology Data Exchange (ETDEWEB)

Buck, Amy [Case Western Reserve University, Cleveland, OH (United States); Cleveland Clinic, Cleveland, OH (United States); Moore, Lee R. [Cleveland Clinic, Cleveland, OH (United States); Lane, Christopher D.; Kumar, Anil; Stroff, Clayton; White, Nicolas [Phycal Inc., Cleveland, OH (United States); Xue, Wei; Chalmers, Jeffrey J. [The Ohio State University, Columbus, OH (United States); Zborowski, Maciej, E-mail: zborowm@ccf.org [Cleveland Clinic, Cleveland, OH (United States)

2015-04-15

Algae were investigated in the past as a potential source of biofuel and other useful chemical derivatives. Magnetic separation of algae by iron oxide nanoparticle binding to cells has been proposed by others for dewatering of cellular mass prior to lipid extraction. We have investigated feasibility of magnetic separation based on the presence of natural iron stores in the cell, such as the ferritin in Auxenochlorella protothecoides (A. protothecoides) strains. The A. protothecoides cell constructs were tested for inserted genes and for increased intracellular iron concentration by inductively coupled plasma atomic absorption (ICP–AA). They were grown in Sueoka’s modified high salt media with added vitamin B1 and increasing concentration of soluble iron compound (FeCl{sub 3} EDTA, from 1× to 8× compared to baseline). The cell magnetic separation conditions were tested using a thin rectangular flow channel pressed against interpolar gaps of a permanent magnet forming a separation system of a well-defined fluid flow and magnetic fringing field geometry (up to 2.2 T and 1000 T/m) dubbed “magnetic deposition microscopy”, or MDM. The presence of magnetic cells in suspension was detected by formation of characteristic deposition bands at the edges of the magnet interpolar gaps, amenable to optical scanning and microscopic examination. The results demonstrated increasing cellular Fe uptake with increasing Fe concentration in the culture media in wild type strain and in selected genetically-modified constructs, leading to magnetic separation without magnetic particle binding. The throughput in this study is not sufficient for an economical scale harvest. - Highlights: • Auxenochlorella protothecoides algae were genetically modified for biofuel production. • Algal iron metabolism was sufficient for their label-less magnetic separation. • High magnetic field and low flow required make the separation scale-up uneconomical.
Magnetic separation of algae genetically modified for increased intracellular iron uptake

International Nuclear Information System (INIS)

Buck, Amy; Moore, Lee R.; Lane, Christopher D.; Kumar, Anil; Stroff, Clayton; White, Nicolas; Xue, Wei; Chalmers, Jeffrey J.; Zborowski, Maciej

2015-01-01

Algae were investigated in the past as a potential source of biofuel and other useful chemical derivatives. Magnetic separation of algae by iron oxide nanoparticle binding to cells has been proposed by others for dewatering of cellular mass prior to lipid extraction. We have investigated feasibility of magnetic separation based on the presence of natural iron stores in the cell, such as the ferritin in Auxenochlorella protothecoides (A. protothecoides) strains. The A. protothecoides cell constructs were tested for inserted genes and for increased intracellular iron concentration by inductively coupled plasma atomic absorption (ICP–AA). They were grown in Sueoka’s modified high salt media with added vitamin B1 and increasing concentration of soluble iron compound (FeCl 3 EDTA, from 1× to 8× compared to baseline). The cell magnetic separation conditions were tested using a thin rectangular flow channel pressed against interpolar gaps of a permanent magnet forming a separation system of a well-defined fluid flow and magnetic fringing field geometry (up to 2.2 T and 1000 T/m) dubbed “magnetic deposition microscopy”, or MDM. The presence of magnetic cells in suspension was detected by formation of characteristic deposition bands at the edges of the magnet interpolar gaps, amenable to optical scanning and microscopic examination. The results demonstrated increasing cellular Fe uptake with increasing Fe concentration in the culture media in wild type strain and in selected genetically-modified constructs, leading to magnetic separation without magnetic particle binding. The throughput in this study is not sufficient for an economical scale harvest. - Highlights: • Auxenochlorella protothecoides algae were genetically modified for biofuel production. • Algal iron metabolism was sufficient for their label-less magnetic separation. • High magnetic field and low flow required make the separation scale-up uneconomical
Rubidium distribution at atomic scale in high efficient Cu(In,Ga)Se2 thin-film solar cells

Science.gov (United States)

Vilalta-Clemente, Arantxa; Raghuwanshi, Mohit; Duguay, Sébastien; Castro, Celia; Cadel, Emmanuel; Pareige, Philippe; Jackson, Philip; Wuerz, Roland; Hariskos, Dimitrios; Witte, Wolfram

2018-03-01

The introduction of a rubidium fluoride post deposition treatment (RbF-PDT) for Cu(In,Ga)Se2 (CIGS) absorber layers has led to a record efficiency up to 22.6% for thin-film solar cell technology. In the present work, high efficiency CIGS samples with RbF-PDT have been investigated by atom probe tomography (APT) to reveal the atomic distribution of all alkali elements present in CIGS layers and compared with non-treated samples. A Scanning Electron Microscopy Dual beam station (Focused Ion Beam-Gas Injection System) as well as Transmission Kikuchi diffraction is used for atom probe sample preparation and localization of the grain boundaries (GBs) in the area of interest. The analysis of the 3D atomic scale APT reconstructions of CIGS samples with RbF-PDT shows that inside grains, Rb is under the detection limit, but the Na concentration is enhanced as compared to the reference sample without Rb. At the GBs, a high concentration of Rb reaching 1.5 at. % was found, and Na and K (diffusing from the glass substrate) are also segregated at GBs but at lower concentrations as compared to Rb. The intentional introduction of Rb leads to significant changes in the chemical composition of CIGS matrix and at GBs, which might contribute to improve device efficiency.
PREFACE: Fourth International Symposium on Atomic Technology

Science.gov (United States)

Okada, Shigefumi

2010-04-01

The International Symposium on Atomic Technology (ISAT) is held every year. The 4th Symposium (ISAT-4) was held on November 18-19, 2009 at the Seaside Hotel MAIKO VILLA KOBE, Kobe City, Japan presided by the "Atomic Technology Project". The ISAT-4 symposium was intended to offer a forum for the discussion on the latest progress in the atomic technologies. The symposium was attended by 107 delegates. There were 10 invited and 6 oral presentations. The number of poster presentations was 69. From all the contributions, 22 papers selected through review process are contained in this volume. The "Atomic Technology Project" was started in 2006 as a joint project of three institutions; (1) the Center for Atomic and Molecular Technologies, Graduate School of Engineering, Osaka University (CAMT), (2) the Tsukuba Research Center for Interdisciplinary Materials Science, Graduate School of Pure and Applied Sciences, University of Tsukuba (TIMS) and (3) the Polyscale Technology Research Center, Research Institute for Science and Technology, Tokyo University of Science (PTRC), each of which were independently pursuing nano-technologies and was developing atomic scale operation and diagnostics, functional materials, micro processing and device. The project is funded by the Ministry of Education, Culture, Sports, Science and Technology of Japan. The goal of the project is to contribute to the development of atomic-scale science and technologies such as functional molecules, biomaterials, and quantum functions of atomic-scale structures. Shigefumi Okada Conference Chair Center for Atomic and Molecular Technologies, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita-city, Osaka 565-0871, Japan. Conference photograph Kobe photograph
Nanoparticles for intracellular-targeted drug delivery

International Nuclear Information System (INIS)

Paulo, Cristiana S O; Pires das Neves, Ricardo; Ferreira, Lino S

2011-01-01

Nanoparticles (NPs) are very promising for the intracellular delivery of anticancer and immunomodulatory drugs, stem cell differentiation biomolecules and cell activity modulators. Although initial studies in the area of intracellular drug delivery have been performed in the delivery of DNA, there is an increasing interest in the use of other molecules to modulate cell activity. Herein, we review the latest advances in the intracellular-targeted delivery of short interference RNA, proteins and small molecules using NPs. In most cases, the drugs act at different cellular organelles and therefore the drug-containing NPs should be directed to precise locations within the cell. This will lead to the desired magnitude and duration of the drug effects. The spatial control in the intracellular delivery might open new avenues to modulate cell activity while avoiding side-effects.
Atomic Scale Modulation of Self-Rectifying Resistive Switching by Interfacial Defects

KAUST Repository

Wu, Xing

2018-04-14

Higher memory density and faster computational performance of resistive switching cells require reliable array‐accessible architecture. However, selecting a designated cell within a crossbar array without interference from sneak path currents through neighboring cells is a general problem. Here, a highly doped n++ Si as the bottom electrode with Ni‐electrode/HfOx/SiO2 asymmetric self‐rectifying resistive switching device is fabricated. The interfacial defects in the HfOx/SiO2 junction and n++ Si substrate result in the reproducible rectifying behavior. In situ transmission electron microscopy is used to quantitatively study the properties of the morphology, chemistry, and dynamic nucleation–dissolution evolution of the chains of defects at the atomic scale. The spatial and temporal correlation between the concentration of oxygen vacancies and Ni‐rich conductive filament modifies the resistive switching effect. This study has important implications at the array‐level performance of high density resistive switching memories.
Atomic Scale Modulation of Self-Rectifying Resistive Switching by Interfacial Defects

KAUST Repository

Wu, Xing; Yu, Kaihao; Cha, Dong Kyu; Bosman, Michel; Raghavan, Nagarajan; Zhang, Xixiang; Li, Kun; Liu, Qi; Sun, Litao; Pey, Kinleong

2018-01-01

Higher memory density and faster computational performance of resistive switching cells require reliable array‐accessible architecture. However, selecting a designated cell within a crossbar array without interference from sneak path currents through neighboring cells is a general problem. Here, a highly doped n++ Si as the bottom electrode with Ni‐electrode/HfOx/SiO2 asymmetric self‐rectifying resistive switching device is fabricated. The interfacial defects in the HfOx/SiO2 junction and n++ Si substrate result in the reproducible rectifying behavior. In situ transmission electron microscopy is used to quantitatively study the properties of the morphology, chemistry, and dynamic nucleation–dissolution evolution of the chains of defects at the atomic scale. The spatial and temporal correlation between the concentration of oxygen vacancies and Ni‐rich conductive filament modifies the resistive switching effect. This study has important implications at the array‐level performance of high density resistive switching memories.
Universal scaling relations for the energies of many-electron Hooke atoms

Science.gov (United States)

Odriazola, A.; Solanpää, J.; Kylänpää, I.; González, A.; Räsänen, E.

2017-04-01

A three-dimensional harmonic oscillator consisting of N ≥2 Coulomb-interacting charged particles, often called a (many-electron) Hooke atom, is a popular model in computational physics for, e.g., semiconductor quantum dots and ultracold ions. Starting from Thomas-Fermi theory, we show that the ground-state energy of such a system satisfies a nontrivial relation: Eg s=ω N4 /3fg s(β N1 /2) , where ω is the oscillator strength, β is the ratio between Coulomb and oscillator characteristic energies, and fg s is a universal function. We perform extensive numerical calculations to verify the applicability of the relation. In addition, we show that the chemical potentials and addition energies also satisfy approximate scaling relations. In all cases, analytic expressions for the universal functions are provided. The results have predictive power in estimating the key ground-state properties of the system in the large-N limit, and can be used in the development of approximative methods in electronic structure theory.
Utilization of ultrasonic atomization for dust control in underground mining

Science.gov (United States)

Okawa, Hirokazu; Nishi, Kentaro; Kawamura, Youhei; Kato, Takahiro; Sugawara, Katsuyasu

2017-07-01

This study examined dust suppression using water particles generated by ultrasonic atomization (2.4 MHz) at low temperature (10 °C). Green tuff (4 µm), green tuff (6 µm), kaolin, and silica were used as dust samples. Even though ultrasonic atomization makes fine water particles, raising relative air humidity immediately was difficult at low temperature. However, remaining water particles that did not change to water vapor contributed to suppression of dust dispersion. Additionally, the effect of water vapor amount (absolute humidity) and water particles generated by ultrasonic atomization on the amount of dust dispersion was investigated using experimental data at temperatures of 10, 20, and 30 °C. Utilization of ultrasound atomization at low temperature has the advantages of low humidity increments in the working space and water particles remaining stable even with low relative air humidity.
New Estimation of the Dosage of Scale Inhibitor in the Cooling Water System

Directory of Open Access Journals (Sweden)

Jiang Jiaomei

2011-01-01

Full Text Available In the cooling water system, excessive use of organic phosphate scale inhibitors is harmful to environment. Reducing the dosage of the organic phosphate scale inhibitor is important. A self-made jacketed crystallizer was used in this experiment. The critical pH values have been determined in cooling water systems with series of Ca2+ concentrations by adding different concentration of the scale inhibitor ATMP (Amino Trimethylene Phosphonic Acid according to the calcium carbonate Metastable zone theory. A model equation at 45 °C and pH=9 was proposed to estimate the lowest dose of the scale inhibitor ATMP. The measured pH value was approximate to the expected pH value in two cooling water systems through verification test.
Determination of total inorganic arsenic in potable water through spectroscopy of atomic absorption with generation of hydride

International Nuclear Information System (INIS)

Rodriguez Roman, S.

1997-01-01

This study developed a method for the cuantitative analysis of arsenic in potable water , through the spectrophotometric technique of atomic absorption. It used an automatic system of injection of flux for the generation of hydrides. It studied the effect produced by reducer agents, in the prereduction of arsenic in water, obtaining the best result with the use of potasium iodide 1.5% and ascorbic acid 0.25% in hydrochloric acid 3.7%, for the direct determination of total inorganic arsenic. It observed the effect produced by cadmium and selenium to the half of the concentration of arsenic, chromium, lead and silver at the same concentration, and barium at a ten times higher concentration, in the recuperation of total inorganic arsenic. It also used sodium borohydride 0.3% in sodium hydroxide 0.05% (5mL/min), for the formation of the volatile hydrides. It used hydrochloric acid 3.7% (12 mL/min) as disolution of transport; argon as inert gas, and a flame air-acetylene, for the atomization of the hydrides. This method was applied to 19 samples of potable water, and the result was no detectable for all of them. (S. Grainger)
Estimating basin scale evapotranspiration (ET) by water balance and remote sensing methods

Science.gov (United States)

Senay, G.B.; Leake, S.; Nagler, P.L.; Artan, G.; Dickinson, J.; Cordova, J.T.; Glenn, E.P.

2011-01-01

Evapotranspiration (ET) is an important hydrological process that can be studied and estimated at multiple spatial scales ranging from a leaf to a river basin. We present a review of methods in estimating basin scale ET and its applications in understanding basin water balance dynamics. The review focuses on two aspects of ET: (i) how the basin scale water balance approach is used to estimate ET; and (ii) how ‘direct’ measurement and modelling approaches are used to estimate basin scale ET. Obviously, the basin water balance-based ET requires the availability of good precipitation and discharge data to calculate ET as a residual on longer time scales (annual) where net storage changes are assumed to be negligible. ET estimated from such a basin water balance principle is generally used for validating the performance of ET models. On the other hand, many of the direct estimation methods involve the use of remotely sensed data to estimate spatially explicit ET and use basin-wide averaging to estimate basin scale ET. The direct methods can be grouped into soil moisture balance modelling, satellite-based vegetation index methods, and methods based on satellite land surface temperature measurements that convert potential ET into actual ET using a proportionality relationship. The review also includes the use of complementary ET estimation principles for large area applications. The review identifies the need to compare and evaluate the different ET approaches using standard data sets in basins covering different hydro-climatic regions of the world.
LETTER TO THE EDITOR: Quantum manifestations of closed orbits in the photoexcitation scaled spectrum of the hydrogen atom in crossed fields

Science.gov (United States)

Rao, Jianguo; Delande, D.; Taylor, K. T.

2001-06-01

The scaled photoexcitation spectrum of the hydrogen atom in crossed electric and magnetic fields has been obtained by means of accurate quantum mechanical calculation using a new algorithm. Closed orbits in the corresponding classical system have also been obtained, using a new, efficient and practical searching procedure. Two new classes of closed orbit have been identified. Fourier transforming each photoexcitation quantum spectrum to yield a plot against scaled action has allowed direct comparison between peaks in such plots and the scaled action values of closed orbits. Excellent agreement has been found with all peaks assigned.
Atomic-scale friction on stepped surfaces of ionic crystals.

Science.gov (United States)

Steiner, Pascal; Gnecco, Enrico; Krok, Franciszek; Budzioch, Janusz; Walczak, Lukasz; Konior, Jerzy; Szymonski, Marek; Meyer, Ernst

2011-05-06

We report on high-resolution friction force microscopy on a stepped NaCl(001) surface in ultrahigh vacuum. The measurements were performed on single cleavage step edges. When blunt tips are used, friction is found to increase while scanning both up and down a step edge. With atomically sharp tips, friction still increases upwards, but it decreases and even changes sign downwards. Our observations extend previous results obtained without resolving atomic features and are associated with the competition between the Schwöbel barrier and the asymmetric potential well accompanying the step edges.
Integrated modelling of nitrate loads to coastal waters and land rent applied to catchment scale water management

DEFF Research Database (Denmark)

Jacosen, T.; Refsgaard, A.; Jacobsen, Brian H.

Abstract The EU WFD requires an integrated approach to river basin management in order to meet environmental and ecological objectives. This paper presents concepts and full-scale application of an integrated modelling framework. The Ringkoebing Fjord basin is characterized by intensive agricultu...... in comprehensive, integrated modelling tools.......Abstract The EU WFD requires an integrated approach to river basin management in order to meet environmental and ecological objectives. This paper presents concepts and full-scale application of an integrated modelling framework. The Ringkoebing Fjord basin is characterized by intensive...... agricultural production and leakage of nitrate constitute a major pollution problem with respect groundwater aquifers (drinking water), fresh surface water systems (water quality of lakes) and coastal receiving waters (eutrophication). The case study presented illustrates an advanced modelling approach applied...

Atomically Monodisperse Nickel Nanoclusters as Highly Active Electrocatalysts for Water Oxidation

KAUST Repository

Joya, Khurram

2016-04-08

Achieving water splitting at low overpotential with high oxygen evolution efficiency and stability is important for realizing solar to chemical energy conversion devices. Herein we report the synthesis, characterization and electrochemical evaluation of highly active nickel nanoclusters (Ni NCs) for water oxidation at low overpotential. These atomically precise and monodisperse Ni NCs are characterized by using UV-visible absorption spectroscopy, single crystal X-ray diffraction and mass spectrometry. The molecular formulae of these Ni NCs are found to be Ni4(PET)8 and Ni6(PET)12 and are highly active electrocatalysts for oxygen evolution without any pre-conditioning. Ni4(PET)8 are slightly better catalysts than Ni6(PET)12 and initiate the oxygen evolution at an amazingly low overpotential of ~1.51 V (vs RHE; η ≈ 280 mV). The peak oxygen evolution current density (J) of ~150 mA cm–2 at 2.0 V (vs. RHE) with a Tafel slope of 38 mV dec–1 is observed using Ni4(PET)8. These results are comparable to the state-of-the art RuO2 electrocatalyst, which is highly expensive and rare compared to Ni-based materials. Sustained oxygen generation for several hours with an applied current density of 20 mA cm–2 demonstrates the long-term stability and activity of these Ni NCs towards electrocatalytic water oxidation. This unique approach provides a facile method to prepare cost-effective, nanoscale and highly efficient electrocatalysts for water oxidation.
Assessment of scale formation and corrosion of drinking water supplies in Ilam city (Iran)

OpenAIRE

Zabihollah Yousefi; Farzad Kazemi; Reza Ali Mohammadpour

2016-01-01

Background: Scaling and corrosion are the two most important indexes in water quality evaluation. Pollutants are released in water due to corrosion of pipelines. The aim of this study is to assess the scale formation and corrosion of drinking water supplies in Ilam city (Iran). Methods: This research is a descriptive and cross-sectional study which is based on the 20 drinking water sources in Ilam city. Experiments were carried out in accordance with the Water and Wastewater Co. ...
Efficient intracellular delivery and improved biocompatibility of colloidal silver nanoparticles towards intracellular SERS immuno-sensing.

Science.gov (United States)

Bhardwaj, Vinay; Srinivasan, Supriya; McGoron, Anthony J

2015-06-21

High throughput intracellular delivery strategies, electroporation, passive and TATHA2 facilitated diffusion of colloidal silver nanoparticles (AgNPs) are investigated for cellular toxicity and uptake using state-of-art analytical techniques. The TATHA2 facilitated approach efficiently delivered high payload with no toxicity, pre-requisites for intracellular applications of plasmonic metal nanoparticles (PMNPs) in sensing and therapeutics.
Densification behavior of gas and water atomized 316L stainless steel powder during selective laser melting

Science.gov (United States)

Li, Ruidi; Shi, Yusheng; Wang, Zhigang; Wang, Li; Liu, Jinhui; Jiang, Wei

2010-04-01

The densification during selective laser melting (SLM) process is an important factor determining the final application of SLM-part. In the present work, the densifications under different processing conditions were investigated and the densification mechanisms were elucidated. It was found that the higher laser power, lower scan speed, narrower hatch spacing and thinner layer thickness could enable a much smoother melting surface and consequently a higher densification. The gas atomized powder possessed better densification than water atomized powder, due to the lower oxygen content and higher packing density of gas atomized powder. A large number of regular-shaped pores can be generated at a wider hatch spacing, even if the scanning track is continuous and wetted very well. The densification mechanisms were addressed and the methods for building dense metal parts were also proposed as follows: inhibiting the balling phenomenon, increasing the overlap ratio of scanning tracks and reducing the micro-cracks.
Atomic and nano-scale characterization of a 50-year-old hydrated C3S paste

KAUST Repository

Geng, Guoqing; Taylor, Rae; Bae, Sungchul; Herná ndez-Cruz, Daniel; Kilcoyne, David A.; Emwas, Abdul-Hamid M.; Monteiro, Paulo J M

2015-01-01

This paper investigates the atomic and nano-scale structures of a 50-year-old hydrated alite paste. Imaged by TEM, the outer product C-S-H fibers are composed of particles that are 1.5-2 nm thick and several tens of nanometers long. 29Si NMR shows 47.9% Q1 and 52.1% Q2, with a mean SiO4 tetrahedron chain length (MCL) of 4.18, indicating a limited degree of polymerization after 50 years' hydration. A Scanning Transmission X-ray Microscopy (STXM) study was conducted on this late-age paste and a 1.5 year old hydrated C3S solution. Near Edge X-ray Absorption Fine Structure (NEXAFS) at Ca L3,2-edge indicates that Ca2 + in C-S-H is in an irregular symmetric coordination, which agrees more with the atomic structure of tobermorite than that of jennite. At Si K-edge, multi-scattering phenomenon is sensitive to the degree of polymerization, which has the potential to unveil the structure of the SiO44 - tetrahedron chain. © 2015 Elsevier Ltd. All rights reserved.
Atomic and nano-scale characterization of a 50-year-old hydrated C3S paste

KAUST Repository

Geng, Guoqing

2015-07-15

This paper investigates the atomic and nano-scale structures of a 50-year-old hydrated alite paste. Imaged by TEM, the outer product C-S-H fibers are composed of particles that are 1.5-2 nm thick and several tens of nanometers long. 29Si NMR shows 47.9% Q1 and 52.1% Q2, with a mean SiO4 tetrahedron chain length (MCL) of 4.18, indicating a limited degree of polymerization after 50 years\\' hydration. A Scanning Transmission X-ray Microscopy (STXM) study was conducted on this late-age paste and a 1.5 year old hydrated C3S solution. Near Edge X-ray Absorption Fine Structure (NEXAFS) at Ca L3,2-edge indicates that Ca2 + in C-S-H is in an irregular symmetric coordination, which agrees more with the atomic structure of tobermorite than that of jennite. At Si K-edge, multi-scattering phenomenon is sensitive to the degree of polymerization, which has the potential to unveil the structure of the SiO44 - tetrahedron chain. © 2015 Elsevier Ltd. All rights reserved.
Atomic and nano-scale characterization of a 50-year-old hydrated C3S paste

International Nuclear Information System (INIS)

Geng, Guoqing; Taylor, Rae; Bae, Sungchul; Hernández-Cruz, Daniel; Kilcoyne, David A.; Emwas, Abdul-Hamid; Monteiro, Paulo J.M.

2015-01-01

This paper investigates the atomic and nano-scale structures of a 50-year-old hydrated alite paste. Imaged by TEM, the outer product C–S–H fibers are composed of particles that are 1.5–2 nm thick and several tens of nanometers long. 29 Si NMR shows 47.9% Q 1 and 52.1% Q 2 , with a mean SiO 4 tetrahedron chain length (MCL) of 4.18, indicating a limited degree of polymerization after 50 years' hydration. A Scanning Transmission X-ray Microscopy (STXM) study was conducted on this late-age paste and a 1.5 year old hydrated C 3 S solution. Near Edge X-ray Absorption Fine Structure (NEXAFS) at Ca L 3,2 -edge indicates that Ca 2+ in C–S–H is in an irregular symmetric coordination, which agrees more with the atomic structure of tobermorite than that of jennite. At Si K-edge, multi-scattering phenomenon is sensitive to the degree of polymerization, which has the potential to unveil the structure of the SiO 4 4− tetrahedron chain.
Water use of a multigenotype poplar short-rotation coppice from tree to stand scale.

Science.gov (United States)

Bloemen, Jasper; Fichot, Régis; Horemans, Joanna A; Broeckx, Laura S; Verlinden, Melanie S; Zenone, Terenzio; Ceulemans, Reinhart

2017-02-01

Short-rotation coppice (SRC) has great potential for supplying biomass-based heat and energy, but little is known about SRC's ecological footprint, particularly its impact on the water cycle. To this end, we quantified the water use of a commercial scale poplar ( Populus ) SRC plantation in East Flanders (Belgium) at tree and stand level, focusing primarily on the transpiration component. First, we used the AquaCrop model and eddy covariance flux data to analyse the different components of the stand-level water balance for one entire growing season. Transpiration represented 59% of evapotranspiration (ET) at stand scale over the whole year. Measured ET and modelled ET were lower as compared to the ET of reference grassland, suggesting that the SRC only used a limited amount of water. Secondly, we compared leaf area scaled and sapwood area scaled sap flow ( F s ) measurements on individual plants vs. stand scale eddy covariance flux data during a 39-day intensive field campaign in late summer 2011. Daily stem diameter variation (∆ D ) was monitored simultaneously with F s to understand water use strategies for three poplar genotypes. Canopy transpiration based on sapwood area or leaf area scaling was 43.5 and 50.3 mm, respectively, and accounted for 74%, respectively, 86%, of total ecosystem ET measured during the intensive field campaign. Besides differences in growth, the significant intergenotypic differences in daily ∆ D (due to stem shrinkage and swelling) suggested different water use strategies among the three genotypes which were confirmed by the sap flow measurements. Future studies on the prediction of SRC water use, or efforts to enhance the biomass yield of SRC genotypes, should consider intergenotypic differences in transpiration water losses at tree level as well as the SRC water balance at stand level.
[Detecting Thallium in Water Samples using Dispersive Liquid Phase Microextraction-Graphite Furnace Atomic Absorption Spectroscopy].

Science.gov (United States)

Zhu, Jing; Li, Yan; Zheng, Bo; Tang, Wei; Chen, Xiao; Zou, Xiao-li

2015-11-01

To develope a method of solvent demulsification dispersive liquid phase microextraction (SD-DLPME) based on ion association reaction coupled with graphite furnace atomic absorption spectroscopy (GFAAS) for detecting thallium in water samples. Methods Thallium ion in water samples was oxidized to Tl(III) with bromine water, which reacted with Cl- to form TlCl4-. The ionic associated compound with trioctylamine was obtained and extracted. DLPME was completed with ethanol as dispersive solvent. The separation of aqueous and organic phase was achieved by injecting into demulsification solvent without centrifugation. The extractant was collected and injected into GFAAS for analysis. With palladium colloid as matrix modifier, a two step drying and ashing temperature programming process was applied for high precision and sensitivity. The linear range was 0.05-2.0 microg/L, with a detection limit of 0.011 microg/L. The relative standard derivation (RSD) for detecting Tl in spiked water sample was 9.9%. The spiked recoveries of water samples ranged from 94.0% to 103.0%. The method is simple, sensitive and suitable for batch analysis of Tl in water samples.
Survey of large-scale solar water heaters installed in Taiwan, China

Energy Technology Data Exchange (ETDEWEB)

Chang Keh-Chin; Lee Tsong-Sheng; Chung Kung-Ming [Cheng Kung Univ., Tainan (China); Lien Ya-Feng; Lee Chine-An [Cheng Kung Univ. Research and Development Foundation, Tainan (China)

2008-07-01

Almost all the solar collectors installed in Taiwan, China were used for production of hot water for homeowners (residential systems), in which the area of solar collectors is less than 10 square meters. From 2001 to 2006, there were only 39 large-scale systems (defined as the area of solar collectors being over 100 m{sup 2}) installed. Their utilization purposes are for rooming house (dormitory), swimming pool, restaurant, and manufacturing process. A comprehensive survey of those large-scale solar water heaters was conducted in 2006. The objectives of the survey were to asses the systems' performance and to have the feedback from the individual users. It is found that lack of experience in system design and maintenance are the key factors for reliable operation of a system. For further promotion of large-scale solar water heaters in Taiwan, a more compressive program on a system design for manufacturing process should be conducted. (orig.)
Winter Maintenance Wash-Water Heavy Metal Removal Pilot Scale Evaluation

Directory of Open Access Journals (Sweden)

Christopher M. Miller

2016-01-01

Full Text Available To encourage sustainable engineering practices, departments of transportation are interested in reusing winter maintenance truck wash water as part of their brine production and future road application. Traffic-related metals in the wash water, however, could limit this option. The objective of this work was to conduct a pilot scale evaluation of heavy metal (copper, zinc, iron, and lead removal in a filtration unit (maximum flow rate of 45 L/minute containing proprietary (MAR Systems Sorbster® media. Three different trials were conducted and approximately 10,000 L of wash water collected from a winter maintenance facility in Ohio was treated with the pilot unit. Lab studies were also performed on six wash-water samples from multiple facilities to assess particle size removal and estimate settling time as a potential removal mechanism during wash-water storage. Pilot unit total metal removal efficiencies were 79%, 77%, 63%, and 94% for copper, zinc, iron, and lead, respectively. Particle settling calculation estimates for copper and zinc show that 10 hours in storage can also effectively reduce heavy metal concentrations in winter maintenance wash water in excess of 70%. These pilot scale results show promise for reducing heavy metal concentrations to an acceptable level for reuse.
MR imaging of intracellular and extracellular deoxyhemoglobin

International Nuclear Information System (INIS)

Janick, P.A.; Grossman, R.I.; Asakura, T.

1989-01-01

MR imaging was performed on varying concentrations of intracellular and extracellular deoxyhemoglobin as well as varying proportions of deoxyhemoglobin and oxyhemoglobin in vitro at 1.5T with use of standard spin-echo and gradient-refocused spin sequences. This study indicates that susceptibility-induced T2 shortening occurs over a broad range of intracellular deoxyhemoglobin concentrations (maximal at hematocrits between 20% and 45%), reflecting diffusional effects at the cellular level. T2* gradient-echo imaging enhances the observed hypointensity in images of intracellular deoxyhemoglobin. The characteristic MR appearance of acute hemotomas can be modeled by the behavior of intracellular and extracellular deoxyhemoglobin and oxyhemoglobin
Understanding the Atomic Scale Mechanisms that Control the Attainment of Ultralow Friction and Wear in Carbon-Based Materials

Science.gov (United States)

2016-01-16

materials to applications such as vibrating joints1,2, contacting and sliding surfaces in micro- and nanoelectromechanical systems for sensors and...Friction and Wear. R.W. Carpick, Midwest Mechanics 2014/2015 Invited Speaker , Iowa State University, Feb. 2015. 4. Invited. Atomic-Scale Processes...in Single Asperity Friction and Wear. R.W. Carpick, Midwest Mechanics 2014/2015 Invited Speaker , University of Minnesota, Feb. 2015. 5. Invited
Atomic-deficient nanostructurization in water-sorption alumomagnesium spinel ceramics MgAl2O4

Science.gov (United States)

Ingram, A.

2018-02-01

Atomic-deficient nanostructurization in alumomagnesium MgAl2O4 ceramics sintered at 1100-1400 °C caused by water sorption are studied employing positron annihilation lifetime spectroscopy. Detected PAL spectra are reconstructed from unconstrained x4-term decomposition, and further transformed to x3-term form to be applicable for analysis with x3-x2-CDA (coupling decomposition algorithm). It is proved that water-immersion processes reduce positronium (Ps) decaying in large-size holes of ceramics (1.70-1.84 nm in radius) at the expense of enhanced trapping in tiny ( 0.2 nm in radius) Ps-traps. The water sorption is shown to be more pronounced in structurally imperfect ceramics sintered at T s = 1100-1200 °C due to irreversible transformations between constituting phases, while reversible physical-sorption processes are dominated in structurally uniform ceramics composed of main spinel phase.
Tritium in well waters, streams and atomic lakes in the East Kazakhstan Oblast of the Semipalatinsk Nuclear Test Site.

Science.gov (United States)

Mitchell, Peter I; Vintró, Luis León; Omarova, Aigul; Burkitbayev, Mukhambetkali; Nápoles, Humberto Jiménez; Priest, Nicholas D

2005-06-01

The concentration of tritium has been determined in well waters, streams and atomic lakes in the Sarzhal, Tel'kem, Balapan and Degelen Mountains areas of the Semipalatinsk Test Site. The data show that levels of tritium in domestic well waters within the settlement of Sarzhal are extremely low at the present time with a median value of 4.4 Bq dm(-3) (95% confidence interval:4.1-4.7 Bq dm(-3)). These levels are only marginally above the background tritium content in surface waters globally. Levels in the atomic craters at Tel'kem 1 and Tel'kem 2 are between one and two orders of magnitude higher, while the level in Lake Balapan is approximately 12,600 Bq dm(-3). Significantly, levels in streams and test-tunnel waters sourced in the Degelen Mountains, the site of approximately 215 underground nuclear tests, are a further order of magnitude higher, being in the range 133,000--235,500 Bq dm(-3). No evidence was adduced which indicates that domestic wells in Sarzhal are contaminated by tritium-rich waters sourced in the Degelen massif, suggesting that the latter are not connected hydrologically to the near-surface groundwater recharging the Sarzhal wells. Annual doses to humans arising from the ingestion of tritium in these well waters are very low at the present time and are of no radiological significance.
Spatio-temporal variability of soil water content on the local scale in a Mediterranean mountain area (Vallcebre, North Eastern Spain). How different spatio-temporal scales reflect mean soil water content

Science.gov (United States)

Molina, Antonio J.; Latron, Jérôme; Rubio, Carles M.; Gallart, Francesc; Llorens, Pilar

2014-08-01

As a result of complex human-land interactions and topographic variability, many Mediterranean mountain catchments are covered by agricultural terraces that have locally modified the soil water content dynamic. Understanding these local-scale dynamics helps us grasp better how hydrology behaves on the catchment scale. Thus, this study examined soil water content variability in the upper 30 cm of the soil on a Mediterranean abandoned terrace in north-east Spain. Using a dataset of high spatial (regular grid of 128 automatic TDR probes at 2.5 m intervals) and temporal (20-min time step) resolution, gathered throughout a 84-day period, the spatio-temporal variability of soil water content at the local scale and the way that different spatio-temporal scales reflect the mean soil water content were investigated. Soil water content spatial variability and its relation to wetness conditions were examined, along with the spatial structuring of the soil water content within the terrace. Then, the ability of single probes and of different combinations of spatial measurements (transects and grids) to provide a good estimate of mean soil water content on the terrace scale was explored by means of temporal stability analyses. Finally, the effect of monitoring frequency on the magnitude of detectable daily soil water content variations was studied. Results showed that soil water content spatial variability followed a bimodal pattern of increasing absolute variability with increasing soil water content. In addition, a linear trend of decreasing soil water content as the distance from the inner part of the terrace increased was identified. Once this trend was subtracted, resulting semi-variograms suggested that the spatial resolution examined was too high to appreciate spatial structuring in the data. Thus, the spatial pattern should be considered as random. Of all the spatial designs tested, the 10 × 10 m mesh grid (9 probes) was considered the most suitable option for a good
Water-Level Data Analysis for the Saturated Zone Site-Scale Flow and Transport Model

International Nuclear Information System (INIS)

Tucci, P.

2001-01-01

This Analysis/Model Report (AMR) documents an updated analysis of water-level data performed to provide the saturated-zone, site-scale flow and transport model (CRWMS M and O 2000) with the configuration of the potentiometric surface, target water-level data, and hydraulic gradients for model calibration. The previous analysis was presented in ANL-NBS-HS-000034, Rev 00 ICN 01, Water-Level Data Analysis for the Saturated Zone Site-Scale Flow and Transport Model (USGS 2001). This analysis is designed to use updated water-level data as the basis for estimating water-level altitudes and the potentiometric surface in the SZ site-scale flow and transport model domain. The objectives of this revision are to develop computer files containing (1) water-level data within the model area (DTN: GS010908312332.002), (2) a table of known vertical head differences (DTN: GS0109083 12332.003), and (3) a potentiometric-surface map (DTN: GS010608312332.001) using an alternate concept from that presented in ANL-NBS-HS-000034, Rev 00 ICN 01 for the area north of Yucca Mountain. The updated water-level data include data obtained from the Nye County Early Warning Drilling Program (EWDP) and data from borehole USW WT-24. In addition to being utilized by the SZ site-scale flow and transport model, the water-level data and potentiometric-surface map contained within this report will be available to other government agencies and water users for ground-water management purposes. The potentiometric surface defines an upper boundary of the site-scale flow model, as well as provides information useful to estimation of the magnitude and direction of lateral ground-water flow within the flow system. Therefore, the analysis documented in this revision is important to SZ flow and transport calculations in support of total system performance assessment
Assessment of the Scales of Gilthead Seabream (Sparus aurata L. by Image Analysis and Atomic Force Microscopy

Directory of Open Access Journals (Sweden)

Francisco Casado

2018-01-01

Full Text Available Understanding the protective role of fish skin is critical to improving the development of aquaculture, since skin is the main surface that separates the animal from its always hazardous environment. Many techniques have been used for its study, but certain structural characteristics of fish skin still remain not clearly understood. That is the case with scales, which have always been attributed a mere protective role, but which are proving to have more functions than it was traditionally thought. To acquire a deeper knowledge, scales from six different regions of gilthead seabream (Sparus aurata L. were studied and measured by image analysis. Results prove that scales from the base of the dorsal fin are larger than those in other parts of the fish body while scales from the peduncle are the smallest of the skin. Furthermore, a technique relatively new in this field, known as atomic force microscopy (AFM, was used to obtain representations of the ultrastructure of the scales and measure certain features such as the circuli and the lines in the basal layer. The data obtained allowed us to compare the height of circuli among the different scales, showing that they were higher in scales from the dorsum and the operculum. The present results introduce a nanostructural model of the scales of gilthead seabream that might serve as a useful guideline for future studies.
Characteristics of meter-scale surface electrical discharge propagating along water surface at atmospheric pressure

International Nuclear Information System (INIS)

Hoffer, Petr; Sugiyama, Yuki; Hosseini, S Hamid R; Akiyama, Hidenori; Lukes, Petr; Akiyama, Masahiro

2016-01-01

This paper reports physical characteristics of water surface discharges. Discharges were produced by metal needle-to-water surface geometry, with the needle electrode driven by 47 kV (FWHM) positive voltage pulses of 2 µ s duration. Propagation of discharges along the water surface was confined between glass plates with 2 mm separation. This allowed generation of highly reproducible 634 mm-long plasma filaments. Experiments were performed using different atmospheres: air, N 2 , and O 2 , each at atmospheric pressure. Time- and spatially-resolved spectroscopic measurements revealed that early spectra of discharges in air and nitrogen atmospheres were dominated by N 2 2nd positive system. N 2 radiation disappeared after approx. 150 ns, replaced by emissions from atomic hydrogen. Spectra of discharges in O 2 atmosphere were dominated by emissions from atomic oxygen. Time- and spatially-resolved emission spectra were used to determine temperatures in plasma. Atomic hydrogen emissions showed excitation temperature of discharges in air to be about 2 × 10 4 K. Electron number densities determined by Stark broadening of the hydrogen H β line reached a maximum value of ∼10 18 cm −3 just after plasma initiation. Electron number densities and temperatures depended only slightly on distance from needle electrode, indicating formation of high conductivity leader channels. Direct observation of discharges by high speed camera showed that the average leader head propagation speed was 412 km · s −1 , which is substantially higher value than that observed in experiments with shorter streamers driven by lower voltages. (paper)
Vector-free intracellular delivery by reversible permeabilization.

Directory of Open Access Journals (Sweden)

Shirley O'Dea

Full Text Available Despite advances in intracellular delivery technologies, efficient methods are still required that are vector-free, can address a wide range of cargo types and can be applied to cells that are difficult to transfect whilst maintaining cell viability. We have developed a novel vector-free method that uses reversible permeabilization to achieve rapid intracellular delivery of cargos with varying composition, properties and size. A permeabilizing delivery solution was developed that contains a low level of ethanol as the permeabilizing agent. Reversal of cell permeabilization is achieved by temporally and volumetrically controlling the contact of the target cells with this solution. Cells are seeded in conventional multi-well plates. Following removal of the supernatant, the cargo is mixed with the delivery solution and applied directly to the cells using an atomizer. After a short incubation period, permeabilization is halted by incubating the cells in a phosphate buffer saline solution that dilutes the ethanol and is non-toxic to the permeabilized cells. Normal culture medium is then added. The procedure lasts less than 5 min. With this method, proteins, mRNA, plasmid DNA and other molecules have been delivered to a variety of cell types, including primary cells, with low toxicity and cargo functionality has been confirmed in proof-of-principle studies. Co-delivery of different cargo types has also been demonstrated. Importantly, delivery occurs by diffusion directly into the cytoplasm in an endocytic-independent manner. Unlike some other vector-free methods, adherent cells are addressed in situ without the need for detachment from their substratum. The method has also been adapted to address suspension cells. This delivery method is gentle yet highly reproducible, compatible with high throughput and automated cell-based assays and has the potential to enable a broad range of research, drug discovery and clinical applications.

An Evaluation Tool for CONUS-Scale Estimates of Components of the Water Balance

Science.gov (United States)

Saxe, S.; Hay, L.; Farmer, W. H.; Markstrom, S. L.; Kiang, J. E.

2016-12-01

Numerous research groups are independently developing data products to represent various components of the water balance (e.g. runoff, evapotranspiration, recharge, snow water equivalent, soil moisture, and climate) at the scale of the conterminous United States. These data products are derived from a range of sources, including direct measurement, remotely-sensed measurement, and statistical and deterministic model simulations. An evaluation tool is needed to compare these data products and the components of the water balance they contain in order to identify the gaps in the understanding and representation of continental-scale hydrologic processes. An ideal tool will be an objective, universally agreed upon, framework to address questions related to closing the water balance. This type of generic, model agnostic evaluation tool would facilitate collaboration amongst different hydrologic research groups and improve modeling capabilities with respect to continental-scale water resources. By adopting a comprehensive framework to consider hydrologic modeling in the context of a complete water balance, it is possible to identify weaknesses in process modeling, data product representation and regional hydrologic variation. As part of its National Water Census initiative, the U.S. Geological survey is facilitating this dialogue to developing prototype evaluation tools.
Interaction of primary cascades with different atomic grain boundaries in α-Zr: An atomic scale study

Energy Technology Data Exchange (ETDEWEB)

Hatami, F.; Feghhi, S.A.H., E-mail: a.feghhi@gmail.com; Arjhangmehr, A., E-mail: ms.arjangmehr@gmail.com; Esfandiarpour, A.

2016-11-15

In this paper, we investigate interaction of primary cascades with grain boundaries (GBs) in α-Zr using the atomistic-scale simulations, and intend to study the influence of different GB structures on production and evolution of defects on picosecond timescale. We observe that, contrary to the previous results in cubic metals, GBs in α-Zr are not necessarily biased toward interstitials, and can preferentially absorb vacancies. Further, in terms of energetic and kinetic behavior, we find that GBs act as defect sinks due to the substantial reduction of defect formation energies and migration barriers in close vicinity of the GB center, with either a preference toward interstitials or vacancies which depends on the atomic structure of the boundaries. Finally, using continuous ion bombardment, we investigate the stability of GBs in sever irradiation environment. The results indicate that the sink strength and efficiency of boundaries varies with increasing accumulated defects in GB region. - Highlights: • GBs in hcp Zr are not necessarily biased toward interstitials. • Defect content within bulk depends on PKA energy, PKA distance, and GB texture. • Defect formation energies and diffusion barriers decrease in close vicinity of GBs. • GBs become locally unstable due to absorption of excess defects in ion bombardment.
Parallel Changes in Intracellular Water Volume and pH Induced by NH3/NH4+ Exposure in Single Neuroblastoma Cells

Directory of Open Access Journals (Sweden)

Víctor M. Blanco

2013-12-01

Full Text Available Background: Increased blood levels of ammonia (NH3 and ammonium (NH4+, i.e. hyperammonemia, leads to cellular brain edema in humans with acute liver failure. The pathophysiology of this edema is poorly understood. This is partly due to incomplete understanding of the osmotic effects of the pair NH3/NH4+ at the cellular and molecular levels. Cell exposure to solutions containing NH3/NH4+ elicits changes in intracellular pH (pHi, which can in turn affect cell water volume (CWV by activating transport mechanisms that produce net gain or loss of solutes and water. The occurrence of CWV changes caused by NH3/NH4+ has long been suspected, but the mechanisms, magnitude and kinetics of these changes remain unknown. Methods: Using fluorescence imaging microscopy we measured, in real time, parallel changes in pHi and CWV caused by brief exposure to NH3/NH4+ of single cells (N1E-115 neuroblastoma or NG-108 neuroblastoma X glioma loaded with the fluorescent indicator BCECF. Changes in CWV were measured by exciting BCECF at its intracellular isosbestic wavelength (∼438 nm, and pHi was measured ratiometrically. Results: Brief exposure to isosmotic solutions (i.e. having the same osmolality as that of control solutions containing NH4Cl (0.5- 30 mM resulted in a rapid, dose-dependent swelling, followed by isosmotic regulatory volume decrease (iRVD. NH4Cl solutions in which either extracellular [NH3] or [NH4+] was kept constant while the other was changed by varying the pH of the solution, demonstrated that [NH3]o rather than [NH4+]o is the main determinant of the NH4Cl-induced swelling. The iRVD response was sensitive to the anion channel blocker NPPB, and partly dependent on external Ca2+. Upon removal of NH4Cl, cells shrank and displayed isosmotic regulatory volume increase (iRVI. Regulatory volume responses could not be activated by comparable CWV changes produced by anisosmotic solutions, suggesting that membrane stretch or contraction by themselves are
Understanding urban water performance at the city-region scale using an urban water metabolism evaluation framework.

Science.gov (United States)

Renouf, Marguerite A; Kenway, Steven J; Lam, Ka Leung; Weber, Tony; Roux, Estelle; Serrao-Neumann, Silvia; Choy, Darryl Low; Morgan, Edward A

2018-06-15

Water sensitive interventions are being promoted to reduce the adverse impacts of urban development on natural water cycles. However it is currently difficult to know the best strategy for their implementation because current and desired urban water performance is not well quantified. This is particularly at the city-region scale, which is important for strategic urban planning. This work aimed to fill this gap by quantifying the water performance of urban systems within city-regions using 'urban water metabolism' evaluation, to inform decisions about water sensitive interventions. To do this we adapted an existing evaluation framework with new methods. In particular, we used land use data for defining system boundaries, and for estimating natural hydrological flows. The criteria for gauging the water performance were water efficiency (in terms of water extracted externally) and hydrological performance (how much natural hydrological flows have changed relative to a nominated pre-urbanised state). We compared these performance criteria for urban systems within three Australian city-regions (South East Queensland, Melbourne and Perth metropolitan areas), under current conditions, and after implementation of example water sensitive interventions (demand management, rainwater/stormwater harvesting, wastewater recycling and increasing perviousness). The respective water efficiencies were found to be 79, 90 and 133 kL/capita/yr. In relation to hydrological performance, stormwater runoff relative to pre-urbanised flows was of most note, estimated to be 2-, 6- and 3- fold, respectively. The estimated performance benefits from water sensitive interventions suggested different priorities for each region, and that combined implementation of a range of interventions may be necessary to make substantive gains in performance. We concluded that the framework is suited to initial screening of the type and scale of water sensitive interventions needed to achieve desired water
Role of small-scale independent providers in water and sanitation

OpenAIRE

Dijk, Meine Pieter

2008-01-01

textabstractSmall-scale independent providers (SSIPs) and households are good for 10–69% of the household water supply and sometimes up to 95% of the sanitation solutions in cities in developing countries. Different types of SSIP can be distinguished. They could be allowed to make a more important contribution to drinking water and sanitation in a situation where many governments cannot be the only one to supply drinking water and sanitary services. Theoretical and practical arguments are use...
High frequency measurements of shot noise suppression in atomic-scale metal contacts

Science.gov (United States)

Wheeler, Patrick J.; Evans, Kenneth; Russom, Jeffrey; King, Nicholas; Natelson, Douglas

2009-03-01

Shot noise provides a means of assessing the number and transmission coefficients of transmitting channels in atomic- and molecular-scale junctions. Previous experiments at low temperatures in metal and semiconductor point contacts have demonstrated the expected suppression of shot noise when junction conductance is near an integer multiple of the conductance quantum, G0≡2e^2/h. Using high frequency techniques, we demonstrate the high speed acquisition of such data at room temperature in mechanical break junctions. In clean Au contacts conductance histograms with clear peaks at G0, 2G0, and 3G0 are acquired within hours, and histograms of simultaneous measurements of the shot noise show clear suppression at those conductance values. We describe the dependence of the noise on bias voltage and analyze the noise vs. conductance histograms in terms of a model that averages over transmission coefficients.
The role of topography on catchment‐scale water residence time

Science.gov (United States)

McGuire, K.J.; McDonnell, Jeffery J.; Weiler, M.; Kendall, C.; McGlynn, B.L.; Welker, J.M.; Seibert, J.

2005-01-01

The age, or residence time, of water is a fundamental descriptor of catchment hydrology, revealing information about the storage, flow pathways, and source of water in a single integrated measure. While there has been tremendous recent interest in residence time estimation to characterize watersheds, there are relatively few studies that have quantified residence time at the watershed scale, and fewer still that have extended those results beyond single catchments to larger landscape scales. We examined topographic controls on residence time for seven catchments (0.085–62.4 km2) that represent diverse geologic and geomorphic conditions in the western Cascade Mountains of Oregon. Our primary objective was to determine the dominant physical controls on catchment‐scale water residence time and specifically test the hypothesis that residence time is related to the size of the basin. Residence times were estimated by simple convolution models that described the transfer of precipitation isotopic composition to the stream network. We found that base flow mean residence times for exponential distributions ranged from 0.8 to 3.3 years. Mean residence time showed no correlation to basin area (r2 organization (i.e., topography) rather than basin area controls catchment‐scale transport. Results from this study may provide a framework for describing scale‐invariant transport across climatic and geologic conditions, whereby the internal form and structure of the basin defines the first‐order control on base flow residence time.
Fabrication of atomic-scale gold junctions by electrochemical plating using a common medical liquid

Science.gov (United States)

Umeno, A.; Hirakawa, K.

2005-04-01

Fabrication of nanometer-separated gold junctions has been performed using "iodine tincture," a medical liquid known as a disinfectant, as an etching/deposition electrolyte. In the gold-dissolved iodine tincture, gold electrodes were grown or eroded slowly enough to form quantum point contacts in an atomic scale. The resistance evolution during the electrochemical deposition showed plateaus at integer multiples of the resistance quantum, (2e2/h)-1, at room temperature (e: the elementary charge, h: the Planck constant). Iodine tincture is a commercially available common material, which makes the fabrication process to be simple and cost effective. Moreover, in contrast to the conventional electrochemical approaches, this method is free from highly toxic cyanide compounds or extraordinarily strong acids.
Structured ecosystem-scale approach to marine water quality management

CSIR Research Space (South Africa)

Taljaard, Susan

2006-10-01

Full Text Available and implement environmental management programmes. A structured ecosystem-scale approach for the design and implementation of marine water quality management programmes developed by the CSIR (South Africa) in response to recent advances in policies...
Field-scale water balance closure in seasonally frozen conditions

Directory of Open Access Journals (Sweden)

X. Pan

2017-11-01

Full Text Available Hydrological water balance closure is a simple concept, yet in practice it is uncommon to measure every significant term independently in the field. Here we demonstrate the degree to which the field-scale water balance can be closed using only routine field observations in a seasonally frozen prairie pasture field site in Saskatchewan, Canada. Arrays of snow and soil moisture measurements were combined with a precipitation gauge and flux tower evapotranspiration estimates. We consider three hydrologically distinct periods: the snow accumulation period over the winter, the snowmelt period in spring, and the summer growing season. In each period, we attempt to quantify the residual between net precipitation (precipitation minus evaporation and the change in field-scale storage (snow and soil moisture, while accounting for measurement uncertainties. When the residual is negligible, a simple 1-D water balance with no net drainage is adequate. When the residual is non-negligible, we must find additional processes to explain the result. We identify the hydrological fluxes which confound the 1-D water balance assumptions during different periods of the year, notably blowing snow and frozen soil moisture redistribution during the snow accumulation period, and snowmelt runoff and soil drainage during the melt period. Challenges associated with quantifying these processes, as well as uncertainties in the measurable quantities, caution against the common use of water balance residuals to estimate fluxes and constrain models in such a complex environment.
Single-cell intracellular nano-pH probes†

OpenAIRE

Özel, Rıfat Emrah; Lohith, Akshar; Mak, Wai Han; Pourmand, Nader

2015-01-01

Within a large clonal population, such as cancerous tumor entities, cells are not identical, and the differences between intracellular pH levels of individual cells may be important indicators of heterogeneity that could be relevant in clinical practice, especially in personalized medicine. Therefore, the detection of the intracellular pH at the single-cell level is of great importance to identify and study outlier cells. However, quantitative and real-time measurements of the intracellular p...
Pore-Water Extraction Scale-Up Study for the SX Tank Farm

Energy Technology Data Exchange (ETDEWEB)

Truex, Michael J.; Oostrom, Martinus; Wietsma, Thomas W.; Last, George V.; Lanigan, David C.

2013-01-15

The phenomena related to pore-water extraction from unsaturated sediments have been previously examined with limited laboratory experiments and numerical modeling. However, key scale-up issues have not yet been addressed. Laboratory experiments and numerical modeling were conducted to specifically examine pore-water extraction for sediment conditions relevant to the vadose zone beneath the SX Tank Farm at Hanford Site in southeastern Washington State. Available SX Tank Farm data were evaluated to generate a conceptual model of the subsurface for a targeted pore-water extraction application in areas with elevated moisture and Tc-99 concentration. The hydraulic properties of the types of porous media representative of the SX Tank Farm target application were determined using sediment mixtures prepared in the laboratory based on available borehole sediment particle size data. Numerical modeling was used as an evaluation tool for scale-up of pore-water extraction for targeted field applications.
An Atomic Gravitational Wave Interferometric Sensor (AGIS)

OpenAIRE

Dimopoulos, Savas; Graham, Peter W.; Hogan, Jason M.; Kasevich, Mark A.; Rajendran, Surjeet

2008-01-01

We propose two distinct atom interferometer gravitational wave detectors, one terrestrial and another satellite-based, utilizing the core technology of the Stanford 10 m atom interferometer presently under construction. Each configuration compares two widely separated atom interferometers run using common lasers. The signal scales with the distance between the interferometers, which can be large since only the light travels over this distance, not the atoms. The terrestrial experiment with ba...
ARECIBO MULTI-EPOCH H I ABSORPTION MEASUREMENTS AGAINST PULSARS: TINY-SCALE ATOMIC STRUCTURE

International Nuclear Information System (INIS)

Stanimirovic, S.; Weisberg, J. M.; Pei, Z.; Tuttle, K.; Green, J. T.

2010-01-01

We present results from multi-epoch neutral hydrogen (H I) absorption observations of six bright pulsars with the Arecibo telescope. Moving through the interstellar medium (ISM) with transverse velocities of 10-150 AU yr -1 , these pulsars have swept across 1-200 AU over the course of our experiment, allowing us to probe the existence and properties of the tiny-scale atomic structure (TSAS) in the cold neutral medium (CNM). While most of the observed pulsars show no significant change in their H I absorption spectra, we have identified at least two clear TSAS-induced opacity variations in the direction of B1929+10. These observations require strong spatial inhomogeneities in either the TSAS clouds' physical properties themselves or else in the clouds' galactic distribution. While TSAS is occasionally detected on spatial scales down to 10 AU, it is too rare to be characterized by a spectrum of turbulent CNM fluctuations on scales of 10 1 -10 3 AU, as previously suggested by some work. In the direction of B1929+10, an apparent correlation between TSAS and interstellar clouds inside the warm Local Bubble (LB) indicates that TSAS may be tracing the fragmentation of the LB wall via hydrodynamic instabilities. While similar fragmentation events occur frequently throughout the ISM, the warm medium surrounding these cold cloudlets induces a natural selection effect wherein small TSAS clouds evaporate quickly and are rare, while large clouds survive longer and become a general property of the ISM.
Nanometer-scale optical traps using atomic state localization

International Nuclear Information System (INIS)

Yavuz, D. D.; Proite, N. A.; Green, J. T.

2009-01-01

We suggest a scheme where a laser beam forms an optical trap with a spatial size that is much smaller than the wavelength of light. The key idea is to combine a far-off-resonant dipole trap with a scheme that localizes an atomic excitation.
Quantization of Differences Between Atomic and Nuclear Rest Masses and Self-organization of Atoms and Nuclei

Science.gov (United States)

Gareev, F. A.; Zhidkova, I. E.

2007-03-01

We come to the conclusion that all atomic models based on either the Newton equation and the Kepler laws, or the Maxwell equations, or the Schrodinger and Dirac equations are in reasonable agreement with experimental data. We can only suspect that these equations are grounded on the same fundamental principle(s) which is (are) not known or these equations can be transformed into each other. We proposed a new mechanism of LENR: cooperative processes in the whole system nuclei + atoms + condensed matter - nuclear reactions in plasma - can occur at smaller threshold energies than the corresponding ones on free constituents. We were able to quantize phenomenologically the first time the differences between atomic and nuclear rest masses by the formula: δδM =n1/n2 X 0.0076294 (in MeV/ c^2), ni=1,2,3,.... Note that this quantization rule is justified for atoms and nuclei with different A, N and Z and the nuclei and atoms represent a coherent synchronized systems - a complex of coupled oscillators (resonators). The cooperative resonance synchronization mechanisms can explain how electron volt (atomic-) scale processes can induce and control nuclear MeV (nuclear-) scale processes and reactions., F.A. Gareev, I.E. Zhidkova, E-print arXiv Nucl-th/ 0610002 2006.
Atomic-scale insight into the origin of pyridine inhibition of MoS2-based hydrotreating catalysts

DEFF Research Database (Denmark)

Temel, Burcin; Tuxen, Anders K.; Kibsgaard, Jakob

2010-01-01

in earlier IR experiments on high surface alumina-supported MoS2 catalyst. The adsorption sites appear to be very similar to the brim sites involved in hydrogenation reactions in HDS. Thus, the combined STM and DFT results provide new atomic-scale insight into the inhibition effect of basic N......-compounds in HDS and the first direct observation of the adsorption mode of basic N-compounds on the catalytically active MoS2 edges. Our results lend further support to previously reported correlations between inhibiting strength and proton affinity for the N-containing compounds....
Transformation of Bisphenol A in Water Distribution Systems, A Pilot-scale Study

Science.gov (United States)

Halogenations of bisphenol A (BPA) in a pilot-scale water distribution system (WDS) of cement-lined ductile cast iron pipe were investigated under the condition: pH 7.3±0.3, water flow velocity of 1.0 m/s, and 25 °C ± 1 °C in water temperature. The testing water was chlorinated f...
On the shake-off probability for atomic systems

Energy Technology Data Exchange (ETDEWEB)

Santos, A.C.F., E-mail: toniufrj@gmail.com [Instituto de Física, Universidade Federal do Rio de Janeiro, P.O. Box 68528, 21941-972 Rio de Janeiro, RJ (Brazil); Almeida, D.P. [Departamento de Física, Universidade Federal de Santa Catarina, 88040-900 Florianópolis (Brazil)

2016-07-15

Highlights: • The scope is to find the relationship among SO probabilities, Z and electron density. • A scaling law is suggested, allowing us to find the SO probabilities for atoms. • SO probabilities have been scaled as a function of target Z and polarizability. - Abstract: The main scope in this work has been upon the relationship between shake-off probabilities, target atomic number and electron density. By comparing the saturation values of measured double-to-single photoionization ratios from the literature, a simple scaling law has been found, which allows us to predict the shake-off probabilities for several elements up to Z = 54 within a factor 2. The electron shake-off probabilities accompanying valence shell photoionization have been scaled as a function of the target atomic number, Z, and polarizability, α. This behavior is in qualitative agreement with the experimental results.
Scaling of the Urban Water Footprint: An Analysis of 65 Mid- to Large-Sized U.S. Metropolitan Areas

Science.gov (United States)

Mahjabin, T.; Garcia, S.; Grady, C.; Mejia, A.

2017-12-01

Scaling laws have been shown to be relevant to a range of disciplines including biology, ecology, hydrology, and physics, among others. Recently, scaling was shown to be important for understanding and characterizing cities. For instance, it was found that urban infrastructure (water supply pipes and electrical wires) tends to scale sublinearly with city population, implying that large cities are more efficient. In this study, we explore the scaling of the water footprint of cities. The water footprint is a measure of water appropriation that considers both the direct and indirect (virtual) water use of a consumer or producer. Here we compute the water footprint of 65 mid- to large-sized U.S. metropolitan areas, accounting for direct and indirect water uses associated with agricultural and industrial commodities, and residential and commercial water uses. We find that the urban water footprint, computed as the sum of the water footprint of consumption and production, exhibits sublinear scaling with an exponent of 0.89. This suggests the possibility of large cities being more water-efficient than small ones. To further assess this result, we conduct additional analysis by accounting for international flows, and the effects of green water and city boundary definition on the scaling. The analysis confirms the scaling and provides additional insight about its interpretation.

Light-induced gauge fields for ultracold atoms

Science.gov (United States)

Goldman, N.; Juzeliūnas, G.; Öhberg, P.; Spielman, I. B.

2014-12-01

Gauge fields are central in our modern understanding of physics at all scales. At the highest energy scales known, the microscopic universe is governed by particles interacting with each other through the exchange of gauge bosons. At the largest length scales, our Universe is ruled by gravity, whose gauge structure suggests the existence of a particle—the graviton—that mediates the gravitational force. At the mesoscopic scale, solid-state systems are subjected to gauge fields of different nature: materials can be immersed in external electromagnetic fields, but they can also feature emerging gauge fields in their low-energy description. In this review, we focus on another kind of gauge field: those engineered in systems of ultracold neutral atoms. In these setups, atoms are suitably coupled to laser fields that generate effective gauge potentials in their description. Neutral atoms ‘feeling’ laser-induced gauge potentials can potentially mimic the behavior of an electron gas subjected to a magnetic field, but also, the interaction of elementary particles with non-Abelian gauge fields. Here, we review different realized and proposed techniques for creating gauge potentials—both Abelian and non-Abelian—in atomic systems and discuss their implication in the context of quantum simulation. While most of these setups concern the realization of background and classical gauge potentials, we conclude with more exotic proposals where these synthetic fields might be made dynamical, in view of simulating interacting gauge theories with cold atoms.
Light-induced gauge fields for ultracold atoms

International Nuclear Information System (INIS)

Goldman, N; Juzeliūnas, G; Öhberg, P; Spielman, I B

2014-01-01

Gauge fields are central in our modern understanding of physics at all scales. At the highest energy scales known, the microscopic universe is governed by particles interacting with each other through the exchange of gauge bosons. At the largest length scales, our Universe is ruled by gravity, whose gauge structure suggests the existence of a particle—the graviton—that mediates the gravitational force. At the mesoscopic scale, solid-state systems are subjected to gauge fields of different nature: materials can be immersed in external electromagnetic fields, but they can also feature emerging gauge fields in their low-energy description. In this review, we focus on another kind of gauge field: those engineered in systems of ultracold neutral atoms. In these setups, atoms are suitably coupled to laser fields that generate effective gauge potentials in their description. Neutral atoms ‘feeling’ laser-induced gauge potentials can potentially mimic the behavior of an electron gas subjected to a magnetic field, but also, the interaction of elementary particles with non-Abelian gauge fields. Here, we review different realized and proposed techniques for creating gauge potentials—both Abelian and non-Abelian—in atomic systems and discuss their implication in the context of quantum simulation. While most of these setups concern the realization of background and classical gauge potentials, we conclude with more exotic proposals where these synthetic fields might be made dynamical, in view of simulating interacting gauge theories with cold atoms. (review article)
Electric field imaging of single atoms

Science.gov (United States)

Shibata, Naoya; Seki, Takehito; Sánchez-Santolino, Gabriel; Findlay, Scott D.; Kohno, Yuji; Matsumoto, Takao; Ishikawa, Ryo; Ikuhara, Yuichi

2017-01-01

In scanning transmission electron microscopy (STEM), single atoms can be imaged by detecting electrons scattered through high angles using post-specimen, annular-type detectors. Recently, it has been shown that the atomic-scale electric field of both the positive atomic nuclei and the surrounding negative electrons within crystalline materials can be probed by atomic-resolution differential phase contrast STEM. Here we demonstrate the real-space imaging of the (projected) atomic electric field distribution inside single Au atoms, using sub-Å spatial resolution STEM combined with a high-speed segmented detector. We directly visualize that the electric field distribution (blurred by the sub-Å size electron probe) drastically changes within the single Au atom in a shape that relates to the spatial variation of total charge density within the atom. Atomic-resolution electric field mapping with single-atom sensitivity enables us to examine their detailed internal and boundary structures. PMID:28555629
HAADF-STEM atom counting in atom probe tomography specimens: Towards quantitative correlative microscopy.

Science.gov (United States)

Lefebvre, W; Hernandez-Maldonado, D; Moyon, F; Cuvilly, F; Vaudolon, C; Shinde, D; Vurpillot, F

2015-12-01

The geometry of atom probe tomography tips strongly differs from standard scanning transmission electron microscopy foils. Whereas the later are rather flat and thin (atom probe tomography specimens. Based on simulations (electron probe propagation and image simulations), the possibility to apply quantitative high angle annular dark field scanning transmission electron microscopy to of atom probe tomography specimens has been tested. The influence of electron probe convergence and the benefice of deconvolution of electron probe point spread function electron have been established. Atom counting in atom probe tomography specimens is for the first time reported in this present work. It is demonstrated that, based on single projections of high angle annular dark field imaging, significant quantitative information can be used as additional input for refining the data obtained by correlative analysis of the specimen in APT, therefore opening new perspectives in the field of atomic scale tomography. Copyright © 2015 Elsevier B.V. All rights reserved.
Effect of airstream velocity on mean drop diameters of water sprays produced by pressure and air atomizing nozzles

Science.gov (United States)

Ingebo, R. D.

1977-01-01

A scanning radiometer was used to determine the effect of airstream velocity on the mean drop diameter of water sprays produced by pressure atomizing and air atomizing fuel nozzles used in previous combustion studies. Increasing airstream velocity from 23 to 53.4 meters per second reduced the Sauter mean diameter by approximately 50 percent with both types of fuel nozzles. The use of a sonic cup attached to the tip of an air assist nozzle reduced the Sauter mean diameter by approximately 40 percent. Test conditions included airstream velocities of 23 to 53.4 meters per second at 293 K and atmospheric pressure.
Metal powder production by gas atomization

Science.gov (United States)

Ting, E. Y.; Grant, N. J.

1986-01-01

The confined liquid, gas-atomization process was investigated. Results from a two-dimensional water model showed the importance of atomization pressure, as well as delivery tube and atomizer design. The atomization process at the tip of the delivery tube was photographed. Results from the atomization of a modified 7075 aluminum alloy yielded up to 60 wt pct. powders that were finer than 45 microns in diameter. Two different atomizer designs were evaluated. The amount of fine powders produced was correlated to a calculated gas-power term. An optimal gas-power value existed for maximized fine powder production. Atomization at gas-power greater than or less than this optimal value produced coarser powders.
High-resolution Continental Scale Land Surface Model incorporating Land-water Management in United States

Science.gov (United States)

Shin, S.; Pokhrel, Y. N.

2016-12-01

Land surface models have been used to assess water resources sustainability under changing Earth environment and increasing human water needs. Overwhelming observational records indicate that human activities have ubiquitous and pertinent effects on the hydrologic cycle; however, they have been crudely represented in large scale land surface models. In this study, we enhance an integrated continental-scale land hydrology model named Leaf-Hydro-Flood to better represent land-water management. The model is implemented at high resolution (5km grids) over the continental US. Surface water and groundwater are withdrawn based on actual practices. Newly added irrigation, water diversion, and dam operation schemes allow better simulations of stream flows, evapotranspiration, and infiltration. Results of various hydrologic fluxes and stores from two sets of simulation (one with and the other without human activities) are compared over a range of river basin and aquifer scales. The improved simulations of land hydrology have potential to build consistent modeling framework for human-water-climate interactions.
Large-Scale Ichthyoplankton and Water Mass Distribution along the South Brazil Shelf

Science.gov (United States)

de Macedo-Soares, Luis Carlos Pinto; Garcia, Carlos Alberto Eiras; Freire, Andrea Santarosa; Muelbert, José Henrique

2014-01-01

Ichthyoplankton is an essential component of pelagic ecosystems, and environmental factors play an important role in determining its distribution. We have investigated simultaneous latitudinal and cross-shelf gradients in ichthyoplankton abundance to test the hypothesis that the large-scale distribution of fish larvae in the South Brazil Shelf is associated with water mass composition. Vertical plankton tows were collected between 21°27′ and 34°51′S at 107 stations, in austral late spring and early summer seasons. Samples were taken with a conical-cylindrical plankton net from the depth of chlorophyll maxima to the surface in deep stations, or from 10 m from the bottom to the surface in shallow waters. Salinity and temperature were obtained with a CTD/rosette system, which provided seawater for chlorophyll-a and nutrient concentrations. The influence of water mass on larval fish species was studied using Indicator Species Analysis, whereas environmental effects on the distribution of larval fish species were analyzed by Distance-based Redundancy Analysis. Larval fish species were associated with specific water masses: in the north, Sardinella brasiliensis was found in Shelf Water; whereas in the south, Engraulis anchoita inhabited the Plata Plume Water. At the slope, Tropical Water was characterized by the bristlemouth Cyclothone acclinidens. The concurrent analysis showed the importance of both cross-shelf and latitudinal gradients on the large-scale distribution of larval fish species. Our findings reveal that ichthyoplankton composition and large-scale spatial distribution are determined by water mass composition in both latitudinal and cross-shelf gradients. PMID:24614798
Large-scale ichthyoplankton and water mass distribution along the South Brazil Shelf.

Directory of Open Access Journals (Sweden)

Luis Carlos Pinto de Macedo-Soares

Full Text Available Ichthyoplankton is an essential component of pelagic ecosystems, and environmental factors play an important role in determining its distribution. We have investigated simultaneous latitudinal and cross-shelf gradients in ichthyoplankton abundance to test the hypothesis that the large-scale distribution of fish larvae in the South Brazil Shelf is associated with water mass composition. Vertical plankton tows were collected between 21°27' and 34°51'S at 107 stations, in austral late spring and early summer seasons. Samples were taken with a conical-cylindrical plankton net from the depth of chlorophyll maxima to the surface in deep stations, or from 10 m from the bottom to the surface in shallow waters. Salinity and temperature were obtained with a CTD/rosette system, which provided seawater for chlorophyll-a and nutrient concentrations. The influence of water mass on larval fish species was studied using Indicator Species Analysis, whereas environmental effects on the distribution of larval fish species were analyzed by Distance-based Redundancy Analysis. Larval fish species were associated with specific water masses: in the north, Sardinella brasiliensis was found in Shelf Water; whereas in the south, Engraulis anchoita inhabited the Plata Plume Water. At the slope, Tropical Water was characterized by the bristlemouth Cyclothone acclinidens. The concurrent analysis showed the importance of both cross-shelf and latitudinal gradients on the large-scale distribution of larval fish species. Our findings reveal that ichthyoplankton composition and large-scale spatial distribution are determined by water mass composition in both latitudinal and cross-shelf gradients.
Large-scale ichthyoplankton and water mass distribution along the South Brazil Shelf.

Science.gov (United States)

de Macedo-Soares, Luis Carlos Pinto; Garcia, Carlos Alberto Eiras; Freire, Andrea Santarosa; Muelbert, José Henrique

2014-01-01

Ichthyoplankton is an essential component of pelagic ecosystems, and environmental factors play an important role in determining its distribution. We have investigated simultaneous latitudinal and cross-shelf gradients in ichthyoplankton abundance to test the hypothesis that the large-scale distribution of fish larvae in the South Brazil Shelf is associated with water mass composition. Vertical plankton tows were collected between 21°27' and 34°51'S at 107 stations, in austral late spring and early summer seasons. Samples were taken with a conical-cylindrical plankton net from the depth of chlorophyll maxima to the surface in deep stations, or from 10 m from the bottom to the surface in shallow waters. Salinity and temperature were obtained with a CTD/rosette system, which provided seawater for chlorophyll-a and nutrient concentrations. The influence of water mass on larval fish species was studied using Indicator Species Analysis, whereas environmental effects on the distribution of larval fish species were analyzed by Distance-based Redundancy Analysis. Larval fish species were associated with specific water masses: in the north, Sardinella brasiliensis was found in Shelf Water; whereas in the south, Engraulis anchoita inhabited the Plata Plume Water. At the slope, Tropical Water was characterized by the bristlemouth Cyclothone acclinidens. The concurrent analysis showed the importance of both cross-shelf and latitudinal gradients on the large-scale distribution of larval fish species. Our findings reveal that ichthyoplankton composition and large-scale spatial distribution are determined by water mass composition in both latitudinal and cross-shelf gradients.
Towards Long-Distance Atom-Photon Entanglement

International Nuclear Information System (INIS)

Rosenfeld, W.; Hocke, F.; Henkel, F.; Krug, M.; Volz, J.; Weber, M.; Weinfurter, H.

2008-01-01

We report the observation of entanglement between a single trapped atom and a single photon at remote locations. The degree of coherence of the entangled atom-photon pair is verified via appropriate local correlation measurements, after communicating the photon via an optical fiber link of 300 m length to a receiver 3.5 m apart. In addition, we measured the temporal evolution of the atomic density matrix after projecting the atom via a state measurement of the photon onto several well-defined spin states. We find that the state of the single atom dephases on a time scale of 150 μs, which represents an important step towards long-distance quantum networking with individual neutral atoms
On the chemistry of the lightest exotic atoms

International Nuclear Information System (INIS)

Horvath, D.

1980-01-01

The chemical aspects of formation of three hydrogen-like exotic atoms, positronium, muonium and pionic hydrogen are discussed. For positronium two formation mechanisms, the Ore model with hot-atom reactions, and the spur reaction model are set against experimental observations in solutions. The use of pionic hydrogen atoms in obtaining information on the bond properties of hydrogen is illustrated by recent experiments performed in JINR. The use of negative pions in chemistry is demonstrated by electronic structure investigations performed in Dubna. The probability W that in a chemical system containing bound hydrogen atoms a stopped negative pion is captured by a proton reflects the bond properties of hydrogen. Recent results haVe shown that the hydrogen bond formation in liquid water and the coordination of water molecules in aquacomplexes lead to significant decreases in probability W for water. A comparison of the chemical uses of the exotic atoms shows that positronium and muonium inform us on intermolecular level probing a small environment of a few molecules while the pionic hydrogen atoms deliver information on the chemical bond of hydrogen, i.e. on intramolecular level
Periodic order and defects in Ni-based inverse opal-like crystals on the mesoscopic and atomic scale

OpenAIRE

Chumakova, A. V.; Valkovskiy, G. A.; Mistonov, A. A.; Dyadkin, V. A.; Grigoryeva, N. A.; Sapoletova, N. A.; Napolskii, K. S.; Eliseev, A. A.; Petukhov, Andrei V.; Grigoriev, S. V.

2014-01-01

The structure of inverse opal crystals based on nickel was probed on the mesoscopic and atomic levels by a set of complementary techniques such as scanning electron microscopy and synchrotron microradian and wide-angle diffraction. The microradian diffraction revealed the mesoscopic-scale face-centered-cubic (fcc) ordering of spherical voids in the inverse opal-like structure with unit cell dimension of 750±10nm. The diffuse scattering data were used to map defects in the fcc structure as a f...
PERFORMANCE DETERIORATION OF THERMOSIPHON SOLAR FLAT PLATE WATER HEATER DUE TO SCALING

OpenAIRE

arunachala umesh chandavar

2011-01-01

The performance of Flat plate Solar Water Heater deteriorates within five to twelve years of their installation due to factors related to manufacturing, operating conditions, lack of maintenance etc. Especially, problem due to scaling is significant as it is based on quality of water used. The remaining factors are system dependent and could be overcome by quality production. Software is developed by incorporating Hottel Whillier Bliss (H-W-B) equation to ascertain the effect of scaling o...
Development of anti-scale poly(aspartic acid-citric acid) dual polymer systems for water treatment.

Science.gov (United States)

Nayunigari, Mithil Kumar; Gupta, Sanjay Kumar; Kokkarachedu, Varaprasad; Kanny, K; Bux, F

2014-01-01

The formation of calcium sulphate and calcium carbonate scale poses major problems in heat exchangers and water cooling systems, thereby affecting the performance of these types of equipment. In order to inhibit these scale formations, new types of biodegradable water soluble single polymer and dual poly(aspartic acid-citric acid) polymers were developed and tested. The effectiveness of single polymer and four different compositions of poly aspartic acid and citric acid dual polymer systems as scale inhibitors were evaluated. Details of the synthesis, thermal stability, scale inhibition and the morphological characterization of single and dual polymers are presented in this scientific paper. It was found that the calcium sulphate scale inhibition rate was in the range 76.06-91.45%, while the calcium carbonate scale inhibition rate observed was in the range 23.37-30.0% at 65-70 °C. The finding suggests that the water soluble dual polymers are very effective in sulphate scale inhibition in comparison of calcium carbonate scale inhibition.
Opportunities and constraints for improved water resources management using different lenses and scales

Science.gov (United States)

Langan, Simon

2017-04-01

The quest for water security has been a struggle throughout human history. Only in recent years has the scale of this quest moved beyond the local, to the national and regional scales and to the planet itself. Absent or unreliable water supply, sanitation and irrigation services, unmitigated floods and droughts, and degraded water environments severely impact half of the planet's population. Over the past few years, water insecurity has become recognized in the World Economic Forum global risk studies as one of the greatest threats that business leaders themselves see that they face in the future, both in terms of likelihood and scale. The scale and complexity of the water challenges faced by society, particularly but not only in the world's poorest regions, are now recognized, as is the imperative of overcoming these challenges for a stable and equitable world. How can we ensure the well-being of all people and ecosystems with the water, human, technological, and financial resources available? In the framework of the Sustainable Development Goals water has to be managed more effectively and wisely by unlocking scientific, managerial, and business capabilities; breaking out of technological lock-in; and innovative and adaptive portfolios of solutions have to be developed while removing barriers to progress on sound water governance. IIASA's Water Futures and Solutions Initiative (WFAS) is an unprecedented inter-disciplinary scientific initiative to identify robust and adaptive portfolios of optional solutions across different economic sectors, including agriculture, energy and industry, and to test these solution-portfolios with multi-model ensembles of hydrologic and sector models to obtain a clearer picture of the trade-offs, risks, and opportunities. The results of WFaS scenarios and models will provide a basis for long-term strategic planning of water resource development. And given the complexity of the water system, WFaS will uniquely provide policy makers
Tritium in well waters, streams and atomic lakes in the East Kazakhstan Oblast of the Semipalatinsk Nuclear Test Site

Energy Technology Data Exchange (ETDEWEB)

Mitchell, Peter I [Department of Experimental Physics, University College Dublin, Belfield, Dublin 4 (Ireland); Vintro, Luis Leon [Department of Experimental Physics, University College Dublin, Belfield, Dublin 4 (Ireland); Omarova, Aigul [Department of Experimental Physics, University College Dublin, Belfield, Dublin 4 (Ireland); Burkitbayev, Mukhambetkali [Department of Inorganic Chemistry, Al-Farabi Kazakh National University, Almaty (Kazakhstan); Napoles, Humberto Jimenez [Department of Experimental Physics, University College Dublin, Belfield, Dublin 4 (Ireland); Priest, Nicholas D [School of Health and Social Sciences, Middlesex University, Enfield EN3 4SA (United Kingdom)

2005-06-01

The concentration of tritium has been determined in well waters, streams and atomic lakes in the Sarzhal, Tel'kem, Balapan and Degelen Mountains areas of the Semipalatinsk Test Site. The data show that levels of tritium in domestic well waters within the settlement of Sarzhal are extremely low at the present time with a median value of 4.4 Bq dm{sup -3} (95% confidence interval: 4.1-4.7 Bq dm{sup -3}). These levels are only marginally above the background tritium content in surface waters globally. Levels in the atomic craters at Tel'kem 1 and Tel'kem 2 are between one and two orders of magnitude higher, while the level in Lake Balapan is approximately 12 600 Bq dm{sup -3}. Significantly, levels in streams and test-tunnel waters sourced in the Degelen Mountains, the site of approximately 215 underground nuclear tests, are a further order of magnitude higher, being in the range 133 000-235 500 Bq dm{sup -3}. No evidence was adduced which indicates that domestic wells in Sarzhal are contaminated by tritium-rich waters sourced in the Degelen massif, suggesting that the latter are not connected hydrologically to the near-surface groundwater recharging the Sarzhal wells. Annual doses to humans arising from the ingestion of tritium in these well waters are very low at the present time and are of no radiological significance.
Multi-scale Food Energy and Water Dynamics in the Blue Nile Highlands

Science.gov (United States)

Zaitchik, B. F.; Simane, B.; Block, P. J.; Foltz, J.; Mueller-Mahn, D.; Gilioli, G.; Sciarretta, A.

2017-12-01

The Ethiopian highlands are often called the "water tower of Africa," giving rise to major transboundary rivers. Rapid hydropower development is quickly transforming these highlands into the "power plant of Africa" as well. For local people, however, they are first and foremost a land of small farms, devoted primarily to subsistence agriculture. Under changing climate, rapid national economic growth, and steadily increasing population and land pressures, these mountains and their inhabitants have become the focal point of a multi-scale food-energy-water nexus with significant implications across East Africa. Here we examine coupled natural-human system dynamics that emerge when basin and nation scale resource development strategies are superimposed on a local economy that is largely subsistence based. Sensitivity to local and remote climate shocks are considered, as is the role of Earth Observation in understanding and informing management of food-energy-water resources across scales.
Determination of metallic elements in water by the combined preconcentration techniques of ion exchange and atomic absorption spectrophotometry

International Nuclear Information System (INIS)

Paula, M.H. de.

1981-01-01

Having as an aim the utilization of atomic absorption method with flame's excitement, the limits of detection in water of six metals (Ag, Co, Cr, Cu, Ni, Zn) were determined in synthetical samples through atomic absorption spectroscopy. Techniques to optimize the data have been pointed out and presented their statistical treatment. By means of the routine and the addition methods three 'real' samples have also been analysed in order to determine the contents of Cu and Zn. Aiming a pre-concentration and by utilizing the 60 Co obtained activating a sample of cobalt in the CDTN/NUCLEBRAS TRIGA MARK-I reactor, the retainement of this cobalt in ion exchange resin and the variation of the factor of elution within different concentration of HCl in water have been determined. The limits of detection are presented and so are the quantitative ones, with and without pre-concentration in an ion exchanger resin and latter elution. (Author) [pt
Water-Level Data Analysis for the Saturated Zone Site-Scale Flow and Transport Model

International Nuclear Information System (INIS)

K. Rehfeldt

2004-01-01

This report is an updated analysis of water-level data performed to provide the ''Saturated Zone Site-Scale Flow Model'' (BSC 2004 [DIRS 170037]) (referred to as the saturated zone (SZ) site-scale flow model or site-scale SZ flow model in this report) with the configuration of the potentiometric surface, target water-level data, and hydraulic gradients for calibration of groundwater flow models. This report also contains an expanded discussion of uncertainty in the potentiometric-surface map. The analysis of the potentiometric data presented in Revision 00 of this report (USGS 2001 [DIRS 154625]) provides the configuration of the potentiometric surface, target heads, and hydraulic gradients for the calibration of the SZ site-scale flow model (BSC 2004 [DIRS 170037]). Revision 01 of this report (USGS 2004 [DIRS 168473]) used updated water-level data for selected wells through the year 2000 as the basis for estimating water-level altitudes and the potentiometric surface in the SZ site-scale flow and transport model domain based on an alternative interpretation of perched water conditions. That revision developed computer files containing: Water-level data within the model area (DTN: GS010908312332.002); A table of known vertical head differences (DTN: GS010908312332.003); and A potentiometric-surface map (DTN: GS010608312332.001) using an alternative concept from that presented by USGS (2001 [DIRS 154625]) for the area north of Yucca Mountain. The updated water-level data presented in USGS (2004 [DIRS 168473]) include data obtained from the Nye County Early Warning Drilling Program (EWDP) Phases I and II and data from Borehole USW WT-24. This document is based on Revision 01 (USGS 2004 [DIRS 168473]) and expands the discussion of uncertainty in the potentiometric-surface map. This uncertainty assessment includes an analysis of the impact of more recent water-level data and the impact of adding data from the EWDP Phases III and IV wells. In addition to being utilized

Fate of cyanobacteria and their metabolites during water treatment sludge management processes.

Science.gov (United States)

Ho, Lionel; Dreyfus, Jennifer; Boyer, Justine; Lowe, Todd; Bustamante, Heriberto; Duker, Phil; Meli, Tass; Newcombe, Gayle

2012-05-01

Cyanobacteria and their metabolites are an issue for water authorities; however, little is known as to the fate of coagulated cyanobacterial-laden sludge during waste management processes in water treatment plants (WTPs). This paper provides information on the cell integrity of Anabaena circinalis and Cylindrospermopsis raciborskii during: laboratory-scale coagulation/sedimentation processes; direct filtration and backwashing procedures; and cyanobacterial-laden sludge management practices. In addition, the metabolites produced by A. circinalis (geosmin and saxitoxins) and C. raciborskii (cylindrospermopsin) were investigated with respect to their release (and possible degradation) during each of the studied processes. Where sedimentation was used, coagulation effectively removed cyanobacteria (and intracellular metabolites) without any considerable exertion on coagulant demand. During direct filtration experiments, cyanobacteria released intracellular metabolites through a stagnation period, suggesting that more frequent backwashing of filters may be required to prevent floc build-up and metabolite release. Cyanobacteria appeared to be protected within the flocs, with minimal damage during backwashing of the filters. Within coagulant sludge, cyanobacteria released intracellular metabolites into the supernatant after 3d, even though cells remained viable up to 7d. This work has improved the understanding of cyanobacterial metabolite risks associated with management of backwash water and sludge and is likely to facilitate improvements at WTPs, including increased monitoring and the application of treatment strategies and operational practices, with respect to cyanobacterial-laden sludge and/or supernatant recycle management. Copyright © 2012 Elsevier B.V. All rights reserved.
Determination of inorganic compounds in drinking water on the basis of house water heater scale, part 1: Determination of heavy metals and uranium

Directory of Open Access Journals (Sweden)

Rajković Miloš B.

2004-01-01

Full Text Available The analysis of scale originated from drinking water on the house water heater, showed that scale is basically calcium carbonate that crystallizes hexagonally in the form of calcite. Scale taken as a sample from different spots in Belgrade – upper town of Zemun (sample 1 and Pančevo (sample 2 showed different configuration although it came from the same waterworks. That indicates either that the water flowing through waterworks pipes in different parts of the city is not the same or the waterworks net is not the same (age, maintaining, etc. All the elements which are dominant in drinking water (Ca, Mg, K, and Na, and which could be found in water by natural processes, are by their content far below the values regulated by law. The analysis also showed the presence of many metals: Ti, Pb, Zn, Cu Li, Sr, Cd, and Cr in the first sample, which are not found in the scale taken near Pančevo. The results obtained by calculating the mass concentration in drinking water on the basis of scale content, showed that both waters belonged to the category of low mineral waters. Contents of inorganic substances in these waters (117.85 mg/dm3 for sample 1 or 80.83 mg/dm3 for sample 2 are twice lower than the values predicted by the legislation. Gammaspectrometric analysis indicates the presence of radioactive elements – uranium and strontium which can influence human health.
Probing Local Ionic Dynamics in Functional Oxides: From Nanometer to Atomic Scale

Science.gov (United States)

Kalinin, Sergei

2014-03-01

Vacancy-mediated electrochemical reactions in oxides underpin multiple applications ranging from electroresistive memories, to chemical sensors to energy conversion systems such as fuel cells. Understanding the functionality in these systems requires probing reversible (oxygen reduction/evolution reaction) and irreversible (cathode degradation and activation, formation of conductive filaments) electrochemical processes. In this talk, I summarize recent advances in probing and controlling these transformations locally on nanometer level using scanning probe microscopy. The localized tip concentrates the electric field in the nanometer scale volume of material, inducing local transition. Measured simultaneously electromechanical response (piezoresponse) or current (conductive AFM) provides the information on the bias-induced changes in material. Here, I illustrate how these methods can be extended to study local electrochemical transformations, including vacancy dynamics in oxides such as titanates, LaxSr1-xCoO3, BiFeO3, and YxZr1-xO2. The formation of electromechanical hysteresis loops and their bias-, temperature- and environment dependences provide insight into local electrochemical mechanisms. In materials such as lanthanum-strontium cobaltite, mapping both reversible vacancy motion and vacancy ordering and static deformation is possible, and can be corroborated by post mortem STEM/EELS studies. In ceria, a broad gamut of electrochemical behaviors is observed as a function of temperature and humidity. The possible strategies for elucidation ionic motion at the electroactive interfaces in oxides using high-resolution electron microscopy and combined ex-situ and in-situ STEM-SPM studies are discussed. In the second part of the talk, probing electrochemical phenomena on in-situ grown surfaces with atomic resolution is illustrated. I present an approach based on the multivariate statistical analysis of the coordination spheres of individual atoms to reveal
Quantitative quenching evaluation and direct intracellular metabolite analysis in Penicillium chrysogenum.

Science.gov (United States)

Meinert, Sabine; Rapp, Sina; Schmitz, Katja; Noack, Stephan; Kornfeld, Georg; Hardiman, Timo

2013-07-01

Sustained progress in metabolic engineering methodologies has stimulated new efforts toward optimizing fungal production strains such as through metabolite analysis of Penicillium chrysogenum industrial-scale processes. Accurate intracellular metabolite quantification requires sampling procedures that rapidly stop metabolism (quenching) and avoid metabolite loss via the cell membrane (leakage). When sampling protocols are validated, the quenching efficiency is generally not quantitatively assessed. For fungal metabolomics, quantitative biomass separation using centrifugation is a further challenge. In this study, P. chrysogenum intracellular metabolites were quantified directly from biomass extracts using automated sampling and fast filtration. A master/slave bioreactor concept was applied to provide industrial production conditions. Metabolic activity during sampling was monitored by 13C tracing. Enzyme activities were efficiently stopped and metabolite leakage was absent. This work provides a reliable method for P. chrysogenum metabolomics and will be an essential base for metabolic engineering of industrial processes. Copyright © 2013 Elsevier Inc. All rights reserved.
Atom-to-continuum methods for gaining a fundamental understanding of fracture.

Energy Technology Data Exchange (ETDEWEB)

McDowell, David Lynn (Georgia Institute of Technology, Atlanta, GA); Reedy, Earl David, Jr.; Templeton, Jeremy Alan; Jones, Reese E.; Moody, Neville Reid; Zimmerman, Jonathan A.; Belytschko, Ted. (Northwestern University, Evanston, IL); Zhou, Xiao Wang; Lloyd, Jeffrey T. (Georgia Institute of Technology, Atlanta, GA); Oswald, Jay (Northwestern University, Evanston, IL); Delph, Terry J. (Lehigh University, Bethlehem, PA); Kimmer, Christopher J. (Indiana University Southeast, New Albany, IN)

2011-08-01

This report describes an Engineering Sciences Research Foundation (ESRF) project to characterize and understand fracture processes via molecular dynamics modeling and atom-to-continuum methods. Under this aegis we developed new theory and a number of novel techniques to describe the fracture process at the atomic scale. These developments ranged from a material-frame connection between molecular dynamics and continuum mechanics to an atomic level J integral. Each of the developments build upon each other and culminated in a cohesive zone model derived from atomic information and verified at the continuum scale. This report describes an Engineering Sciences Research Foundation (ESRF) project to characterize and understand fracture processes via molecular dynamics modeling and atom-to-continuum methods. The effort is predicated on the idea that processes and information at the atomic level are missing in engineering scale simulations of fracture, and, moreover, are necessary for these simulations to be predictive. In this project we developed considerable new theory and a number of novel techniques in order to describe the fracture process at the atomic scale. Chapter 2 gives a detailed account of the material-frame connection between molecular dynamics and continuum mechanics we constructed in order to best use atomic information from solid systems. With this framework, in Chapter 3, we were able to make a direct and elegant extension of the classical J down to simulations on the scale of nanometers with a discrete atomic lattice. The technique was applied to cracks and dislocations with equal success and displayed high fidelity with expectations from continuum theory. Then, as a prelude to extension of the atomic J to finite temperatures, we explored the quasi-harmonic models as efficient and accurate surrogates of atomic lattices undergoing thermo-elastic processes (Chapter 4). With this in hand, in Chapter 5 we provide evidence that, by using the appropriate
URANIUM REMOVAL FROM DRINKING WATER USING A SMALL FULL-SCALE SYSTEM

Science.gov (United States)

This report presents background and history of water quality, the basis for design and nine months of actual operating data for a small, full-scale strong-base ion exchange system that is used to remove uranium from a water supply serving a school in Jefferson County, CO. Informa...
Large-angle illumination STEM: Toward three-dimensional atom-by-atom imaging

Energy Technology Data Exchange (ETDEWEB)

Ishikawa, Ryo, E-mail: ishikawa@sigma.t.u-tokyo.ac.jp [Institute of Engineering Innovation, University of Tokyo, Tokyo 113-8656 (Japan); Lupini, Andrew R. [Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Hinuma, Yoyo [Department of Materials Science and Engineering, Kyoto University, Kyoto 606-8501 (Japan); Pennycook, Stephen J. [Department of Materials Science and Engineering, The University of Tennessee, 328 Ferris Hall, Knoxville, TN 37996 (United States)

2015-04-15

To fully understand and control materials and their properties, it is of critical importance to determine their atomic structures in all three dimensions. Recent revolutionary advances in electron optics – the inventions of geometric and chromatic aberration correctors as well as electron source monochromators – have provided fertile ground for performing optical depth sectioning at atomic-scale dimensions. In this study we theoretically demonstrate the imaging of top/sub-surface atomic structures and identify the depth of single dopants, single vacancies and the other point defects within materials by large-angle illumination scanning transmission electron microscopy (LAI-STEM). The proposed method also allows us to measure specimen properties such as thickness or three-dimensional surface morphology using observations from a single crystallographic orientation. - Highlights: • We theoretically demonstrate 3D near-atomic depth resolution imaging by large-angle illumination STEM. • This method can be useful to identify the depth of single dopants, single vacancies within materials. • This method can be useful to determine reconstructed surface atomic structures.
Electronic transport properties of copper and gold at atomic scale

Energy Technology Data Exchange (ETDEWEB)

Mohammadzadeh, Saeideh

2010-11-23

The factors governing electronic transport properties of copper and gold atomic-size contacts are theoretically examined in the present work. A two-terminal conductor using crystalline electrodes is adopted. The non-equilibrium Green's function combined with the density functional tight-binding method is employed via gDFTB simulation tool to calculate the transport at both equilibrium and non-equilibrium conditions. The crystalline orientation, length, and arrangement of electrodes have very weak influence on the electronic characteristics of the considered atomic wires. The wire width is found to be the most effective geometric aspect determining the number of conduction channels. The obtained conductance oscillation and linear current-voltage curves are interpreted. To analyze the conduction mechanism in detail, the transmission channels and their decomposition to the atomic orbitals are calculated in copper and gold single point contacts. The presented results offer a possible explanation for the relation between conduction and geometric structure. Furthermore, the results are in good agreement with available experimental and theoretical studies. (orig.)
The common elements of atomic and hadronic physics

Energy Technology Data Exchange (ETDEWEB)

Brodsky, Stanley J., E-mail: sjbth@slac.stanford.edu [Stanford University, SLAC National Accelerator Laboratory (United States)

2015-08-15

Atomic physics and hadronic physics are both governed by the Yang Mills gauge theory Lagrangian; in fact, Abelian quantum electrodynamics can be regarded as the zero-color limit of quantum chromodynamics. I review a number of areas where the techniques of atomic physics can provide important insight into hadronic eigenstates in QCD. For example, the Dirac-Coulomb equation, which predicts the spectroscopy and structure of hydrogenic atoms, has an analog in hadron physics in the form of frame-independent light-front relativistic equations of motion consistent with light-front holography which give a remarkable first approximation to the spectroscopy, dynamics, and structure of light hadrons. The production of antihydrogen in flight can provide important insight into the dynamics of hadron production in QCD at the amplitude level. The renormalization scale for the running coupling is unambiguously set in QED; an analogous procedure sets the renormalization scales in QCD, leading to scheme-independent scale-fixed predictions. Conversely, many techniques which have been developed for hadron physics, such as scaling laws, evolution equations, the quark-interchange process and light-front quantization have important applicants for atomic physics and photon science, especially in the relativistic domain.
The Common Elements of Atomic and Hadronic Physics

Energy Technology Data Exchange (ETDEWEB)

Brodsky, Stanley J. [SLAC National Accelerator Lab., Menlo Park, CA (United States)

2015-02-26

Atomic physics and hadronic physics are both governed by the Yang Mills gauge theory Lagrangian; in fact, Abelian quantum electrodynamics can be regarded as the zero-color limit of quantum chromodynamics. I review a number of areas where the techniques of atomic physics can provide important insight into hadronic eigenstates in QCD. For example, the Dirac-Coulomb equation, which predicts the spectroscopy and structure of hydrogenic atoms, has an analog in hadron physics in the form of frame-independent light-front relativistic equations of motion consistent with light-front holography which give a remarkable first approximation to the spectroscopy, dynamics, and structure of light hadrons. The production of antihydrogen in flight can provide important insight into the dynamics of hadron production in QCD at the amplitude level. The renormalization scale for the running coupling is unambiguously set in QED; an analogous procedure sets the renormalization scales in QCD, leading to scheme-independent scale-fixed predictions. Conversely, many techniques which have been developed for hadron physics, such as scaling laws, evolution equations, the quark-interchange process and light-front quantization have important applicants for atomic physics and photon science, especially in the relativistic domain.
In-situ pre-concentration through repeated sampling and pyrolysis for ultrasensitive determination of thallium in drinking water by electrothermal atomic absorption spectrometry.

Science.gov (United States)

Liu, Liwei; Zheng, Huaili; Xu, Bincheng; Xiao, Lang; Chigan, Yong; Zhangluo, Yilan

2018-03-01

In this paper, a procedure for in-situ pre-concentration in graphite furnace by repeated sampling and pyrolysis is proposed for the determination of ultra-trace thallium in drinking water by graphite furnace atomic absorption spectrometry (GF-AAS). Without any other laborious enrichment processes that routinely result in analyte loss and contamination, thallium was directly concentrated in the graphite furnace automatically and subsequently subject to analysis. The effects of several key factors, such as the temperature for pyrolysis and atomization, the chemical modifier, and the repeated sampling times were investigated. Under the optimized conditions, a limit of detection of 0.01µgL -1 was obtained, which fulfilled thallium determination in drinking water by GB 5749-2006 regulated by China. Successful analysis of thallium in certified water samples and drinking water samples was demonstrated, with analytical results in good agreement with the certified values and those by inductively coupled plasma mass spectrometry (ICP-MS), respectively. Routine spike-recovery tests with randomly selected drinking water samples showed satisfactory results of 80-96%. The proposed method is simple and sensitive for screening of ultra-trace thallium in drinking water samples. Copyright © 2017. Published by Elsevier B.V.
Combined short scale roughness and surface dielectric function gradient effects on the determination of tip-sample force in atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Gusso, André, E-mail: gusso@metal.eeimvr.uff.br [Departamento de Ciências Exatas-EEIMVR, Universidade Federal Fluminense, Volta Redonda, RJ 27255-125 (Brazil)

2013-11-11

The contribution of tip roughness to the van der Waals force between an atomic force microscopy probe tip and the sample is calculated using the multilayer effective medium model, which allows us to consider the relevant case of roughness characterized by correlation length and amplitude in the nanometer scale. The effect of the surface dielectric function gradient is incorporated in the tip-sample force model. It is concluded that for rms roughness in the few nanometers range the effect of short scale tip roughness is quite significant.
Atomic-scale Ge diffusion in strained Si revealed by quantitative scanning transmission electron microscopy

Science.gov (United States)

Radtke, G.; Favre, L.; Couillard, M.; Amiard, G.; Berbezier, I.; Botton, G. A.

2013-05-01

Aberration-corrected scanning transmission electron microscopy is employed to investigate the local chemistry in the vicinity of a Si0.8Ge0.2/Si interface grown by molecular-beam epitaxy. Atomic-resolution high-angle annular dark field contrast reveals the presence of a nonuniform diffusion of Ge from the substrate into the strained Si thin film. On the basis of multislice calculations, a model is proposed to quantify the experimental contrast, showing that the Ge concentration in the thin film reaches about 4% at the interface and decreases monotonically on a typical length scale of 10 nm. Diffusion occurring during the growth process itself therefore appears as a major factor limiting the abruptness of interfaces in the Si-Ge system.
Intracellular Drug Bioavailability: Effect of Neutral Lipids and Phospholipids.

Science.gov (United States)

Treyer, Andrea; Mateus, André; Wiśniewski, Jacek R; Boriss, Hinnerk; Matsson, Pär; Artursson, Per

2018-06-04

Intracellular unbound drug concentrations are the pharmacologically relevant concentrations for targets inside cells. Intracellular drug concentrations are determined by multiple processes, including the extent of drug binding to intracellular structures. The aim of this study was to evaluate the effect of neutral lipid (NL) and phospholipid (PL) levels on intracellular drug disposition. The NL and/or PL content of 3T3-L1 cells were enhanced, resulting in phenotypes (in terms of morphology and proteome) reminiscent of adipocytes (high NL and PL) or mild phospholipidosis (only high PL). Intracellular bioavailability ( F ic ) was then determined for 23 drugs in these cellular models and in untreated wild-type cells. A higher PL content led to higher intracellular drug binding and a lower F ic . The induction of NL did not further increase drug binding but led to altered F ic due to increased lysosomal pH. Further, there was a good correlation between binding to beads coated with pure PL and intracellular drug binding. In conclusion, our results suggest that PL content is a major determinant of drug binding in cells and that PL beads may constitute a simple alternative to estimating this parameter. Further, the presence of massive amounts of intracellular NLs did not influence drug binding significantly.
The scaling of urban surface water abundance and impairment with city size

Science.gov (United States)

Steele, M. K.

2018-03-01

Urbanization alters surface water compared to nonurban landscapes, yet little is known regarding how basic aquatic ecosystem characteristics, such as the abundance and impairment of surface water, differ with population size or regional context. This study examined the abundance, scaling, and impairment of surface water by quantifying the stream length, water body area, and impaired stream length for 3520 cities in the United States with populations from 2500 to 18 million. Stream length, water body area, and impaired stream length were quantified using the National Hydrography Dataset and the EPA's 303(d) list. These metrics were scaled with population and city area using single and piecewise power-law models and related to biophysical factors (precipitation, topography) and land cover. Results show that abundance of stream length and water body area in cities actually increases with city area; however, the per person abundance decreases with population size. Relative to population, impaired stream length did not increase until city populations were > 25,000 people, then scaled linearly with population. Some variation in abundance and impairment was explained by biophysical context and land cover. Development intensity correlated with stream density and impairment; however, those relationships depended on the orientation of the land covers. When high intensity development occupied the local elevation highs (+ 15 m) and undeveloped land the elevation lows, the percentage of impaired streams was less than the opposite land cover orientation (- 15 m) or very flat land. These results show that surface water abundance and impairment across contiguous US cities are influenced by city size and by biophysical setting interacting with land cover intensity.
A structured ecosystem-scale approach to marine water quality ...

African Journals Online (AJOL)

These, in turn, created the need for holistic and integrated frameworks within which to design and implement environmental management programmes. A structured ecosystem-scale approach for the design and implementation of marine water quality management programmes developed by the CSIR (South Africa) in ...
Atomic collisions involving pulsed positrons

DEFF Research Database (Denmark)

Merrison, J. P.; Bluhme, H.; Field, D.

2000-01-01

Conventional slow positron beams have been widely and profitably used to study atomic collisions and have been instrumental in understanding the dynamics of ionization. The next generation of positron atomic collision studies are possible with the use of charged particle traps. Not only can large...... instantaneous intensities be achieved with in-beam accumulation, but more importantly many orders of magnitude improvement in energy and spatial resolution can be achieved using positron cooling. Atomic collisions can be studied on a new energy scale with unprecedented precion and control. The use...
Multi-scale analysis of relationship between landscape pattern and urban river water quality in different seasons.

Science.gov (United States)

Xiao, Rui; Wang, Guofeng; Zhang, Qianwen; Zhang, Zhonghao

2016-05-05

Water quality is highly dependent on the landscape characteristics. In this study, we investigated the relationships between water quality and landscape pattern (composition and configuration) in Huzhou City, China. The water quality variables, including pH, dissolved oxygen (DO), chemical oxygen demand (CODMn), Biochemical Oxygen Demand (BOD), NH3-N, petroleum, dissolved total phosphorus (DTP), and total nitrogen (TN) in low water, normal water and flood periods were identified by investigating 34 sampling sites in Huzhou City during the period from 2001 to 2007. Landscape composition and landscape configuration metrics were calculated for different scales. It was found that scales and seasons both play important role when analyzing the relationships between landscape characteristics of different land use types. The results implied that some water quality parameters such as CODMn, petroleum are more polluted in flood period than the other two seasons at different scales, while DTP and TN are more polluted in low water period. Influences of different landscape metrics on water quality should operate at different spatial scales. The results shown in this paper will effectively provide scientific basis for the policy making in sustainable development of water environment.
Economies of scale and firm size optimum in rural water supply

Science.gov (United States)

Sauer, Johannes

2005-11-01

This article is focused on modeling and analyzing the cost structure of water-supplying companies. A cross-sectional data set was collected with respect to water firms in rural areas of former East and West Germany. The empirical data are analyzed by applying a symmetric generalized McFadden (SGM) functional form. This flexible functional form allows for testing the concavity required by microeconomic theory as well as the global imposition of such curvature restrictions without any loss of flexibility. The original specification of the SGM cost function is modified to incorporate fixed factors of water production and supply as, for example, groundwater intake or the number of connections supplied. The estimated flexible and global curvature correct cost function is then used to derive scale elasticities as well as the optimal firm size. The results show that no water supplier in the sample produces at constant returns to scale. The optimal firm size was found to be on average about three times larger than the existing one. These findings deliver evidence for the hypothesis that the legally set supplying areas, oriented at public administrative criteria as well as local characteristics of water resources, are economically inefficient. Hence structural inefficiency in the rural water sector is confirmed to be policy induced.
Automatic Optimization for Large-Scale Real-Time Coastal Water Simulation

Directory of Open Access Journals (Sweden)

Shunli Wang

2016-01-01

Full Text Available We introduce an automatic optimization approach for the simulation of large-scale coastal water. To solve the singular problem of water waves obtained with the traditional model, a hybrid deep-shallow-water model is estimated by using an automatic coupling algorithm. It can handle arbitrary water depth and different underwater terrain. As a certain feature of coastal terrain, coastline is detected with the collision detection technology. Then, unnecessary water grid cells are simplified by the automatic simplification algorithm according to the depth. Finally, the model is calculated on Central Processing Unit (CPU and the simulation is implemented on Graphics Processing Unit (GPU. We show the effectiveness of our method with various results which achieve real-time rendering on consumer-level computer.

SUPERCRITICAL WATER PARTIAL OXIDATION PHASE I - PILOT-SCALE TESTING/FEASIBILTY SUDIES FINAL REPORT

Energy Technology Data Exchange (ETDEWEB)

SPRITZER.M; HONG,G

2005-01-01

General Atomics (GA) is developing Supercritical Water Partial Oxidation (SWPO) as a means of producing hydrogen from low-grade biomass and other waste feeds. The Phase I Pilot-scale Testing/Feasibility Studies have been successfully completed and the results of that effort are described in this report. The key potential advantage of the SWPO process is the use of partial oxidation in-situ to rapidly heat the gasification medium, resulting in less char formation and improved hydrogen yield. Another major advantage is that the high-pressure, high-density aqueous environment is ideal for reacting and gasifying organics of all types. The high water content of the medium encourages formation of hydrogen and hydrogen-rich products and is especially compatible with high water content feeds such as biomass materials. The high water content of the medium is also effective for gasification of hydrogen-poor materials such as coal. A versatile pilot plant for exploring gasification in supercritical water has been established at GA's facilities in San Diego. The Phase I testing of the SWPO process with wood and ethanol mixtures demonstrated gasification efficiencies of about 90%, comparable to those found in prior laboratory-scale SCW gasification work carried out at the University of Hawaii at Manoa (UHM), as well as other biomass gasification experience with conventional gasifiers. As in the prior work at UHM, a significant amount of the hydrogen found in the gas phase products is derived from the water/steam matrix. The studies at UHM utilized an indirectly heated gasifier with an activated carbon catalyst. In contrast, the GA studies utilized a directly heated gasifier without catalyst, plus a surrogate waste fuel. Attainment of comparable gasification efficiencies without catalysis is an important advancement for the GA process, and opens the way for efficient hydrogen production from low-value, dirty feed materials. The Phase I results indicate that a practical
THE MECHANISM OF SURFACE DIFFUSION OF H AND D ATOMS ON AMORPHOUS SOLID WATER: EXISTENCE OF VARIOUS POTENTIAL SITES

Energy Technology Data Exchange (ETDEWEB)

Hama, Tetsuya; Kuwahata, Kazuaki; Watanabe, Naoki; Kouchi, Akira; Chigai, Takeshi [Institute of Low Temperature Science, Hokkaido University, Sapporo, Hokkaido 060-0819 (Japan); Kimura, Yuki [Department of Earth and Planetary Materials Science, Tohoku University, Sendai 980-8578 (Japan); Pirronello, Valerio, E-mail: hama@lowtem.hokudai.ac.jp [Dipartimento di Fisica e Astronomia, Universita' di Catania, I-95125 Catania, Sicily (Italy)

2012-10-01

To understand elementary processes leading to H{sub 2} formation, and the hydrogenation and deuteration reactions of adsorbed species on dust grains in dense clouds, we experimentally investigated the diffusion of atomic hydrogen and deuterium on amorphous solid water (ASW) at temperatures of 8-15 K. The present study extended our previous study for selective detections of H and D atoms, and of H{sub 2} (J = 0 and 1) and D{sub 2} (J = 0 and 1) molecules adsorbed on ASW using both photo-stimulated desorption and resonance-enhanced multiphoton ionization, to investigate potential sites on ASW for diffusion, recombination dynamics, and the diffusion mechanism of H and D atoms. Our results demonstrate that the ASW surface contains various potential sites that can be categorized into at least three groups: very shallow, middle-, and deep-potential sites, with diffusion activation energies of {<=}18, 22 (23 meV for D atoms), and {>=}30 meV, respectively. The present study pictured the outline of H{sub 2} formation on cosmic ice dust at low temperatures: H atoms landing on the dust will diffuse rapidly at the abundant shallow and middle sites on ASW, and finally become trapped at deep sites. The H atoms that arrive next recombine with such trapped H atoms to yield H{sub 2} molecules. The small isotopic difference between the diffusion of H and D atoms on ASW indicates that the diffusion mechanism can be explained by thermal hopping, at least at middle-potential sites.
Spin-Polarized Scanning Tunneling Microscope for Atomic-Scale Studies of Spin Transport, Spin Relaxation, and Magnetism in Graphene

Science.gov (United States)

2017-11-09

Polarized Scanning Tunneling Microscope for Atomic-Scale Studies of Spin Transport, Spin Relaxation, and Magnetism in Graphene Report Term: 0-Other Email ...Principal: Y Name: Jay A Gupta Email : gupta.208@osu.edu Name: Roland K Kawakami Email : kawakami.15@osu.edu RPPR Final Report as of 13-Nov-2017...studies on films and devices. Optimization of the Cr tip will be the next important step to establish this technique. We are writing up these early
Adaptation of a pattern-scaling approach for assessment of local (village/valley) scale water resources and related vulnerabilities in the Upper Indus Basin

Science.gov (United States)

Forsythe, Nathan; Kilsby, Chris G.; Fowler, Hayley J.; Archer, David R.

2010-05-01

The water resources of the Upper Indus Basin (UIB) are of the utmost importance to the economic wellbeing of Pakistan. The irrigated agriculture made possible by Indus river runoff underpins the food security for Pakistan's nearly 200 million people. Contributions from hydropower account for more than one fifth of peak installed electrical generating capacity in a country where widespread, prolonged load-shedding handicaps business activity and industrial development. Pakistan's further socio-economic development thus depends largely on optimisation of its precious water resources. Confident, accurate seasonal predictions of water resource availability coupled with sound understanding of interannual variability are urgent insights needed by development planners and infrastructure managers at all levels. This study focuses on the challenge of providing meaningful quantitative information at the village/valley scale in the upper reaches of the UIB. Proceeding by progressive reductions in scale, the typology of the observed UIB hydrological regimes -- glacial, nival and pluvial -- are examined with special emphasis on interannual variability for individual seasons. Variations in discharge (runoff) are compared to observations of climate parameters (temperature, precipitation) and available spatial data (elevation, snow cover and snow-water-equivalent). The first scale presented is composed of the large-scale, long-record gauged UIB tributary basins. The Pakistan Water and Power Development Authority (WAPDA) has maintained these stations for several decades in order to monitor seasonal flows and accumulate data for design of further infrastructure. Data from basins defined by five gauging stations on the Indus, Hunza, Gilgit and Astore rivers are examined. The second scale presented is a set of smaller gauged headwater catchments with short records. These gauges were installed by WAPDA and its partners amongst the international development agencies to assess potential
Enhanced intracellular delivery and antibacterial efficacy of enrofloxacin-loaded docosanoic acid solid lipid nanoparticles against intracellular Salmonella.

Science.gov (United States)

Xie, Shuyu; Yang, Fei; Tao, Yanfei; Chen, Dongmei; Qu, Wei; Huang, Lingli; Liu, Zhenli; Pan, Yuanhu; Yuan, Zonghui

2017-01-23

Enrofloxacin-loaded docosanoic acid solid lipid nanoparticles (SLNs) with different physicochemical properties were developed to enhance activity against intracellular Salmonella. Their cellular uptake, intracellular elimination and antibacterial activity were studied in RAW 264.7 cells. During the experimental period, SLN-encapsulated enrofloxacin accumulated in the cells approximately 27.06-37.71 times more efficiently than free drugs at the same extracellular concentration. After incubation for 0.5 h, the intracellular enrofloxacin was enhanced from 0.336 to 1.147 μg/mg of protein as the sizes of nanoparticles were increased from 150 to 605 nm, and from 0.960 to 1.147 μg/mg of protein when the charge was improved from -8.1 to -24.9 mv. The cellular uptake was more significantly influenced by the size than it was by the charge, and was not affected by whether the charge was positive or negative. The elimination of optimal SLN-encapsulated enrofloxacin from the cells was significantly slower than that of free enrofloxacin after removing extracellular drug. The inhibition effect against intracellular Salmonella CVCC541 of 0.24 and 0.06 μg/mL encapsulated enrofloxacin was stronger than 0.6 μg/mL free drug after all of the incubation periods and at 48 h, respectively. Docosanoic acid SLNs are thus considered as a promising carrier for intracellular bacterial treatment.
Pu-239 and Pu-240 inventories and Pu-240/ Pu-239 atom ratios in the water column off Sanriku, Japan.

Science.gov (United States)

Yamada, Masatoshi; Zheng, Jian; Aono, Tatsuo

2013-04-01

A magnitude 9.0 earthquake and subsequent tsunami occurred in the Pacific Ocean off northern Honshu, Japan, on 11 March 2011 which caused severe damage to the Fukushima Dai-ichi Nuclear Power Plant. This accident has resulted in a substantial release of radioactive materials to the atmosphere and ocean, and has caused extensive contamination of the environment. However, no information is available on the amounts of radionuclides such as Pu isotopes released into the ocean at this time. Investigating the background baseline concentration and atom ratio of Pu isotopes in seawater is important for assessment of the possible contamination in the marine environment. Pu-239 (half-life: 24,100 years), Pu-240 (half-life: 6,560 years) and Pu-241 (half-life: 14.325 years) mainly have been released into the environment as the result of atmospheric nuclear weapons testing. The atom ratio of Pu-240/Pu-239 is a powerful fingerprint to identify the sources of Pu in the ocean. The Pu-239 and Pu-240 inventories and Pu-240/Pu-239 atom ratios in seawater samples collected in the western North Pacific off Sanriku before the accident at Fukushima Dai-ichi Nuclear Power Plant will provide useful background baseline data for understanding the process controlling Pu transport and for distinguishing additional Pu sources. Seawater samples were collected with acoustically triggered quadruple PVC sampling bottles during the KH-98-3 cruise of the R/V Hakuho-Maru. The Pu-240/Pu-239 atom ratios were measured with a double-focusing SF-ICP-MS, which was equipped with a guard electrode to eliminate secondary discharge in the plasma and to enhance overall sensitivity. The Pu-239 and Pu-240 concentrations were 2.07 and 1.67 mBq/m3 in the surface water, respectively, and increased with depth; a subsurface maximum was identified at 750 m depth, and the concentrations decreased with depth, then increased at the bottom layer. The total Pu-239+240 inventory in the entire water column (depth interval 0
Water-Level Data Analysis for the Saturated Zone Site-Scale Flow and Transport Model

Energy Technology Data Exchange (ETDEWEB)

K. Rehfeldt

2004-10-08

This report is an updated analysis of water-level data performed to provide the ''Saturated Zone Site-Scale Flow Model'' (BSC 2004 [DIRS 170037]) (referred to as the saturated zone (SZ) site-scale flow model or site-scale SZ flow model in this report) with the configuration of the potentiometric surface, target water-level data, and hydraulic gradients for calibration of groundwater flow models. This report also contains an expanded discussion of uncertainty in the potentiometric-surface map. The analysis of the potentiometric data presented in Revision 00 of this report (USGS 2001 [DIRS 154625]) provides the configuration of the potentiometric surface, target heads, and hydraulic gradients for the calibration of the SZ site-scale flow model (BSC 2004 [DIRS 170037]). Revision 01 of this report (USGS 2004 [DIRS 168473]) used updated water-level data for selected wells through the year 2000 as the basis for estimating water-level altitudes and the potentiometric surface in the SZ site-scale flow and transport model domain based on an alternative interpretation of perched water conditions. That revision developed computer files containing: Water-level data within the model area (DTN: GS010908312332.002); A table of known vertical head differences (DTN: GS010908312332.003); and A potentiometric-surface map (DTN: GS010608312332.001) using an alternative concept from that presented by USGS (2001 [DIRS 154625]) for the area north of Yucca Mountain. The updated water-level data presented in USGS (2004 [DIRS 168473]) include data obtained from the Nye County Early Warning Drilling Program (EWDP) Phases I and II and data from Borehole USW WT-24. This document is based on Revision 01 (USGS 2004 [DIRS 168473]) and expands the discussion of uncertainty in the potentiometric-surface map. This uncertainty assessment includes an analysis of the impact of more recent water-level data and the impact of adding data from the EWDP Phases III and IV wells. In
Automatic selection of atomic fingerprints and reference configurations for machine-learning potentials

Science.gov (United States)

Imbalzano, Giulio; Anelli, Andrea; Giofré, Daniele; Klees, Sinja; Behler, Jörg; Ceriotti, Michele

2018-06-01

Machine learning of atomic-scale properties is revolutionizing molecular modeling, making it possible to evaluate inter-atomic potentials with first-principles accuracy, at a fraction of the costs. The accuracy, speed, and reliability of machine learning potentials, however, depend strongly on the way atomic configurations are represented, i.e., the choice of descriptors used as input for the machine learning method. The raw Cartesian coordinates are typically transformed in "fingerprints," or "symmetry functions," that are designed to encode, in addition to the structure, important properties of the potential energy surface like its invariances with respect to rotation, translation, and permutation of like atoms. Here we discuss automatic protocols to select a number of fingerprints out of a large pool of candidates, based on the correlations that are intrinsic to the training data. This procedure can greatly simplify the construction of neural network potentials that strike the best balance between accuracy and computational efficiency and has the potential to accelerate by orders of magnitude the evaluation of Gaussian approximation potentials based on the smooth overlap of atomic positions kernel. We present applications to the construction of neural network potentials for water and for an Al-Mg-Si alloy and to the prediction of the formation energies of small organic molecules using Gaussian process regression.
Interfacial transport phenomena and stability in liquid-metal/water systems: scaling considerations

International Nuclear Information System (INIS)

Abdulla, S.; Liu, X.; Anderson, M.; Bonazza, R.; Corradini, M.; Cho, D.

2001-01-01

One concept being considered for steam generation in innovative nuclear reactor applications, involves water coming into direct contact with a circulating molten metal. The vigorous agitation of the two fluids, the direct liquid-liquid contact and the consequent large interfacial area give rise to very high heat transfer coefficients and rapid steam generation. For an optimum design of such direct contact heat exchange and vaporization systems, detailed knowledge is necessary of the various flow regimes, interfacial transport phenomena, heat transfer and operational stability. In this paper we describe current results from the first year of this research that studies the transport phenomena involved with the injection of water into molten metals (e.g., lead alloys). In particular, this work discusses scaling considerations related to direct contact heat exchange, our experimental plans for investigation and a test plan for the important experimental parameters; i.e., the water and liquid metal mass flow rates, the liquid metal pool temperature and the ambient pressure of the direct contact heat exchanger. Past experimental work and initial scaling results suggest that our experiments can directly represent the proper liquid metal pool temperature and the water subcooling. The experimental variation in water and liquid metal flow rates and system pressure (1-10 bar), although smaller than the current conceptual system designs, is sufficient to verify the expected scale effects to demonstrate the phenomena. (authors)
Breakdown of the coral-algae symbiosis: towards formalising a linkage between warm-water bleaching thresholds and the growth rate of the intracellular zooxanthellae

Science.gov (United States)

Wooldridge, S. A.

2013-03-01

Impairment of the photosynthetic machinery of the algal endosymbiont ("zooxanthellae") is the proximal driver of the thermal breakdown of the coral-algae symbiosis ("coral bleaching"). Yet, the initial site of damage, and early dynamics of the impairment are still not well resolved. In this perspective essay, I consider further a recent hypothesis which proposes an energetic disruption to the carbon-concentrating mechanisms (CCMs) of the coral host, and the resultant onset of CO2-limitation within the photosynthetic "dark reactions" as a unifying cellular mechanism. The hypothesis identifies the enhanced retention of photosynthetic carbon for zooxanthellae (re)growth following an initial irradiance-driven expulsion event as a strong contributing cause of the energetic disruption. If true, then it implies that the onset of the bleaching syndrome and setting of upper thermal bleaching limits are emergent attributes of the coral symbiosis that are ultimately underpinned by the characteristic growth profile of the intracellular zooxanthellae; which is known to depend not just on temperature, but also external (seawater) nutrient availability and zooxanthellae genotype. Here, I review this proposed bleaching linkage at a variety of observational scales, and find it to be parsimonious with the available evidence. Future experiments are suggested that can more formally test the linkage. If correct, the new cellular model delivers a valuable new perspective to consider the future prospects of the coral symbiosis in an era of rapid environmental change, including: (i) the underpinning mechanics (and biological significance) of observed changes in resident zooxanthellae genotypes, and (ii) the now crucial importance of reef water quality in co-determining thermal bleaching resistance.
Large Scale Evapotranspiration Estimates: An Important Component in Regional Water Balances to Assess Water Availability

Science.gov (United States)

Garatuza-Payan, J.; Yepez, E. A.; Watts, C.; Rodriguez, J. C.; Valdez-Torres, L. C.; Robles-Morua, A.

2013-05-01

Water security, can be defined as the reliable supply in quantity and quality of water to help sustain future populations and maintaining ecosystem health and productivity. Water security is rapidly declining in many parts of the world due to population growth, drought, climate change, salinity, pollution, land use change, over-allocation and over-utilization, among other issues. Governmental offices (such as the Comision Nacional del Agua in Mexico, CONAGUA) require and conduct studies to estimate reliable water balances at regional or continental scales in order to provide reasonable assessments of the amount of water that can be provided (from surface or ground water sources) to supply all the human needs while maintaining natural vegetation, on an operational basis and, more important, under disturbances, such as droughts. Large scale estimates of evapotranspiration (ET), a critical component of the water cycle, are needed for a better comprehension of the hydrological cycle at large scales, which, in most water balances is left as the residual. For operational purposes, such water balance estimates can not rely on ET measurements since they do not exist, should be simple and require the least ground information possible, information that is often scarce or does not exist at all. Given this limitation, the use of remotely sensed data to estimate ET could supplement the lack of ground information, particularly in remote regions In this study, a simple method, based on the Makkink equation is used to estimate ET for large areas at high spatial resolutions (1 km). The Makkink model used here is forced using three remotely sensed datasets. First, the model uses solar radiation estimates obtained from the Geostationary Operational Environmental Satellite (GOES); Second, the model uses an Enhanced Vegetation Index (EVI) obtained from the Moderate-resolution Imaging Spectroradiometer (MODIS) normalized to get an estimate for vegetation amount and land use which was
Intracellular transport driven by cytoskeletal motors: General mechanisms and defects

Science.gov (United States)

Appert-Rolland, C.; Ebbinghaus, M.; Santen, L.

2015-09-01

Cells are the elementary units of living organisms, which are able to carry out many vital functions. These functions rely on active processes on a microscopic scale. Therefore, they are strongly out-of-equilibrium systems, which are driven by continuous energy supply. The tasks that have to be performed in order to maintain the cell alive require transportation of various ingredients, some being small, others being large. Intracellular transport processes are able to induce concentration gradients and to carry objects to specific targets. These processes cannot be carried out only by diffusion, as cells may be crowded, and quite elongated on molecular scales. Therefore active transport has to be organized. The cytoskeleton, which is composed of three types of filaments (microtubules, actin and intermediate filaments), determines the shape of the cell, and plays a role in cell motion. It also serves as a road network for a special kind of vehicles, namely the cytoskeletal motors. These molecules can attach to a cytoskeletal filament, perform directed motion, possibly carrying along some cargo, and then detach. It is a central issue to understand how intracellular transport driven by molecular motors is regulated. The interest for this type of question was enhanced when it was discovered that intracellular transport breakdown is one of the signatures of some neuronal diseases like the Alzheimer. We give a survey of the current knowledge on microtubule based intracellular transport. Our review includes on the one hand an overview of biological facts, obtained from experiments, and on the other hand a presentation of some modeling attempts based on cellular automata. We present some background knowledge on the original and variants of the TASEP (Totally Asymmetric Simple Exclusion Process), before turning to more application oriented models. After addressing microtubule based transport in general, with a focus on in vitro experiments, and on cooperative effects in the
The analysis of scaling mechanism for water-injection pipe columns in the Daqing Oilfield

OpenAIRE

Jing, Guolin; Tang, Shan; Li, Xiaoxiao; Wang, Huaiyuan

2013-01-01

Although water-injection in mature reservoirs is a promising low-cost method of enhanced oil recovery (EOR), in the process of development in the oilfield, scale has been produced in water-injection pipe columns. The ability to prevent and control the deposition of scale is critical to the efficient recovery of crude oil from hard environments, as part of the broader discipline of “flow assurance” in the petroleum industry. To this end laboratory-scale deposition tests have been useful to und...
Picosecond orientational dynamics of water in living cells.

Science.gov (United States)

Tros, Martijn; Zheng, Linli; Hunger, Johannes; Bonn, Mischa; Bonn, Daniel; Smits, Gertien J; Woutersen, Sander

2017-10-12

Cells are extremely crowded, and a central question in biology is how this affects the intracellular water. Here, we use ultrafast vibrational spectroscopy and dielectric-relaxation spectroscopy to observe the random orientational motion of water molecules inside living cells of three prototypical organisms: Escherichia coli, Saccharomyces cerevisiae (yeast), and spores of Bacillus subtilis. In all three organisms, most of the intracellular water exhibits the same random orientational motion as neat water (characteristic time constants ~9 and ~2 ps for the first-order and second-order orientational correlation functions), whereas a smaller fraction exhibits slower orientational dynamics. The fraction of slow intracellular water varies between organisms, ranging from ~20% in E. coli to ~45% in B. subtilis spores. Comparison with the water dynamics observed in solutions mimicking the chemical composition of (parts of) the cytosol shows that the slow water is bound mostly to proteins, and to a lesser extent to other biomolecules and ions.The cytoplasm's crowdedness leads one to expect that cell water is different from bulk water. By measuring the rotational motion of water molecules in living cells, Tros et al. find that apart from a small fraction of water solvating biomolecules, cell water has the same dynamics as bulk water.
Bibliography of electron and photon cross sections with atoms and molecules published in the 20th century. Water vapour

International Nuclear Information System (INIS)

Hayashi, Makoto

2003-12-01

Bibliographies of original and review reports of experiments or theories of electron and photon cross sections and also electron swarm data are presented for atomic or molecular species with specified targets. These works covered 17 atoms and 51 molecules. The present bibliography is only for water vapour (H 2 O, D 2 O and HDO). About 1200 papers were compiled. A comprehensive author index is included. The bibliography covers the period 1915 through 2000 for H 2 O. Finally, author's comments for electron collision cross sections and photodissociation processes of H 2 O are given. (author)
A novel household water insecurity scale: Procedures and psychometric analysis among postpartum women in western Kenya.

Science.gov (United States)

Boateng, Godfred O; Collins, Shalean M; Mbullo, Patrick; Wekesa, Pauline; Onono, Maricianah; Neilands, Torsten B; Young, Sera L

2018-01-01

Our ability to measure household-level food insecurity has revealed its critical role in a range of physical, psychosocial, and health outcomes. Currently, there is no analogous, standardized instrument for quantifying household-level water insecurity, which prevents us from understanding both its prevalence and consequences. Therefore, our objectives were to develop and validate a household water insecurity scale appropriate for use in our cohort in western Kenya. We used a range of qualitative techniques to develop a preliminary set of 29 household water insecurity questions and administered those questions at 15 and 18 months postpartum, concurrent with a suite of other survey modules. These data were complemented by data on quantity of water used and stored, and microbiological quality. Inter-item and item-total correlations were performed to reduce scale items to 20. Exploratory factor and parallel analyses were used to determine the latent factor structure; a unidimensional scale was hypothesized and tested using confirmatory factor and bifactor analyses, along with multiple statistical fit indices. Reliability was assessed using Cronbach's alpha and the coefficient of stability, which produced a coefficient alpha of 0.97 at 15 and 18 months postpartum and a coefficient of stability of 0.62. Predictive, convergent and discriminant validity of the final household water insecurity scale were supported based on relationships with food insecurity, perceived stress, per capita household water use, and time and money spent acquiring water. The resultant scale is a valid and reliable instrument. It can be used in this setting to test a range of hypotheses about the role of household water insecurity in numerous physical and psychosocial health outcomes, to identify the households most vulnerable to water insecurity, and to evaluate the effects of water-related interventions. To extend its applicability, we encourage efforts to develop a cross-culturally valid scale
Green method for ultrasensitive determination of Hg in natural waters by electrothermal-atomic absorption spectrometry following sono-induced cold vapor generation and 'in-atomizer trapping'

International Nuclear Information System (INIS)

Gil, Sandra; Lavilla, Isela; Bendicho, Carlos

2007-01-01

Sono-induced cold vapor generation (SI-CVG) has been used for the first time in combination with a graphite furnace atomizer for determination of Hg in natural waters by electrothermal-atomic absorption spectrometry after in situ trapping onto a noble metal-pretreated platform (Pd, Pt or Rh) inserted into a graphite tube. The system allows 'in-atomizer trapping' of Hg without the use of conventional reduction reactions based on sodium borohydride or tin chloride in acid medium for cold vapor generation. The sono-induced reaction is accomplished by applying ultrasound irradiation to the sample solution containing Hg(II) in the presence of an organic compound such as formic acid. As this organic acid is partly degraded upon ultrasound irradiation to yield CO, CO 2 , H 2 and H 2 O, the amount of lab wastes is minimized and a green methodology is achieved. For this purpose, experimental variables influencing the generation/trapping process are fully investigated. The limit of detection for a 10 min trapping time and 10 mL sample volume was 0.03 μg L -1 (Integrated absorbance) and the repeatability expressed as relative standard deviation was about 3%. Carbonates and chlorides at 100 mg L -1 level caused a signal depression by 20-30%. The enhanced trapping efficiency observed with the sono-induced cold vapor generation as compared with 'in-atomizer trapping' methods employing chemical vapor generation is discussed. A reaction pathway for SI-CVG is proposed on the basis of the current knowledge for synthesis of noble metal nanoparticles by ultrasound
Atomization of Impinging Droplets on Superheated Superhydrophobic Surfaces

Science.gov (United States)

Emerson, Preston; Crockett, Julie; Maynes, Daniel

2017-11-01

Water droplets impinging smooth superheated surfaces may be characterized by dynamic vapor bubbles rising to the surface, popping, and causing a spray of tiny droplets to erupt from the droplet. This spray is called secondary atomization. Here, atomization is quantified experimentally for water droplets impinging superheated superhydrophobic surfaces. Smooth hydrophobic and superhydrophobic surfaces with varying rib and post microstructuring were explored. Each surface was placed on an aluminum heating block, and impingement events were captured with a high speed camera at 3000 fps. For consistency among tests, all events were normalized by the maximum atomization found over a range of temperatures on a smooth hydrophobic surface. An estimate of the level of atomization during an impingement event was created by quantifying the volume of fluid present in the atomization spray. Droplet diameter and Weber number were held constant, and atomization was found for a range of temperatures through the lifetime of the impinging droplet. The Leidenfrost temperature was also determined and defined to be the lowest temperature at which atomization ceases to occur. Both atomization and Leidenfrost temperature increase with decreasing pitch (distance between microstructures).
EPR-Spin Trapping and Flow Cytometric Studies of Free Radicals Generated Using Cold Atmospheric Argon Plasma and X-Ray Irradiation in Aqueous Solutions and Intracellular Milieu.

Directory of Open Access Journals (Sweden)

Hidefumi Uchiyama

Full Text Available Electron paramagnetic resonance (EPR-spin trapping and flow cytometry were used to identify free radicals generated using argon-cold atmospheric plasma (Ar-CAP in aqueous solutions and intracellularly in comparison with those generated by X-irradiation. Ar-CAP was generated using a high-voltage power supply unit with low-frequency excitation. The characteristics of Ar-CAP were estimated by vacuum UV absorption and emission spectra measurements. Hydroxyl (·OH radicals and hydrogen (H atoms in aqueous solutions were identified with the spin traps 5,5-dimethyl-1-pyrroline N-oxide (DMPO, 3,3,5,5-tetramethyl-1-pyrroline-N-oxide (M4PO, and phenyl N-t-butylnitrone (PBN. The occurrence of Ar-CAP-induced pyrolysis was evaluated using the spin trap 3,5-dibromo-4-nitrosobenzene sulfonate (DBNBS in aqueous solutions of DNA constituents, sodium acetate, and L-alanine. Human lymphoma U937 cells were used to study intracellular oxidative stress using five fluorescent probes with different affinities to a number of reactive species. The analysis and quantification of EPR spectra revealed the formation of enormous amounts of ·OH radicals using Ar-CAP compared with that by X-irradiation. Very small amounts of H atoms were detected whereas nitric oxide was not found. The formation of ·OH radicals depended on the type of rare gas used and the yield correlated inversely with ionization energy in the order of krypton > argon = neon > helium. No pyrolysis radicals were detected in aqueous solutions exposed to Ar-CAP. Intracellularly, ·OH, H2O2, which is the recombination product of ·OH, and OCl- were the most likely formed reactive oxygen species after exposure to Ar-CAP. Intracellularly, there was no practical evidence for the formation of NO whereas very small amounts of superoxides were formed. Despite the superiority of Ar-CAP in forming ·OH radicals, the exposure to X-rays proved more lethal. The mechanism of free radical formation in aqueous solutions and
Removal of Iron Oxide Scale from Feed-water in Thermal Power Plant by Using Magnetic Separation

Science.gov (United States)

Nakanishi, Motohiro; Shibatani, Saori; Mishima, Fumihito; Akiyama, Yoko; Nishijima, Shigehiro

2017-09-01

One of the factors of deterioration in thermal power generation efficiency is adhesion of the scale to inner wall in feed-water system. Though thermal power plants have employed All Volatile Treatment (AVT) or Oxygen Treatment (OT) to prevent scale formation, these treatments cannot prevent it completely. In order to remove iron oxide scale, we proposed magnetic separation system using solenoidal superconducting magnet. Magnetic separation efficiency is influenced by component and morphology of scale which changes their property depending on the type of water treatment and temperature. In this study, we estimated component and morphology of iron oxide scale at each equipment in the feed-water system by analyzing simulated scale generated in the pressure vessel at 320 K to 550 K. Based on the results, we considered installation sites of the magnetic separation system.

Global hydrobelts: improved reporting scale for water-related issues?

Science.gov (United States)

Meybeck, M.; Kummu, M.; Dürr, H. H.

2012-08-01

Questions related to water such as its availability, water needs or stress, or management, are mapped at various resolutions at the global scale. They are reported at many scales, mostly along political or continental boundaries. As such, they ignore the fundamental heterogeneity of the hydroclimate and the natural boundaries of the river basins. Here, we describe the continental landmasses according to eight global-scale hydrobelts strictly limited by river basins, defined at a 30' (0.5°) resolution. The belts were defined and delineated, based primarily on the annual average temperature (T) and runoff (q), to maximise interbelt differences and minimise intrabelt variability. The belts were further divided into 29 hydroregions based on continental limits. This new global puzzle defines homogeneous and near-contiguous entities with similar hydrological and thermal regimes, glacial and postglacial basin histories, endorheism distribution and sensitivity to climate variations. The Mid-Latitude, Dry and Subtropical belts have northern and southern analogues and a general symmetry can be observed for T and q between them. The Boreal and Equatorial belts are unique. The hydroregions (median size 4.7 Mkm2) contrast strongly, with the average q ranging between 6 and 1393 mm yr-1 and the average T between -9.7 and +26.3 °C. Unlike the hydroclimate, the population density between the North and South belts and between the continents varies greatly, resulting in pronounced differences between the belts with analogues in both hemispheres. The population density ranges from 0.7 to 0.8 p km-2 for the North American Boreal and some Australian hydroregions to 280 p km-2 for the Asian part of the Northern Mid-Latitude belt. The combination of population densities and hydroclimate features results in very specific expressions of water-related characteristics in each of the 29 hydroregions. Our initial tests suggest that hydrobelt and hydroregion divisions are often more
Self-organization of intracellular gradients during mitosis

Directory of Open Access Journals (Sweden)

Fuller Brian G

2010-01-01

Full Text Available Abstract Gradients are used in a number of biological systems to transmit spatial information over a range of distances. The best studied are morphogen gradients where information is transmitted over many cell lengths. Smaller mitotic gradients reflect the need to organize several distinct events along the length of the mitotic spindle. The intracellular gradients that characterize mitosis are emerging as important regulatory paradigms. Intracellular gradients utilize intrinsic auto-regulatory feedback loops and diffusion to establish stable regions of activity within the mitotic cytosol. We review three recently described intracellular mitotic gradients. The Ran GTP gradient with its elaborate cascade of nuclear transport receptors and cargoes is the best characterized, yet the dynamics underlying the robust gradient of Ran-GTP have received little attention. Gradients of phosphorylation have been observed on Aurora B kinase substrates both before and after anaphase onset. In both instances the phosphorylation gradient appears to result from a soluble gradient of Aurora B kinase activity. Regulatory properties that support gradient formation are highlighted. Intracellular activity gradients that regulate localized mitotic events bare several hallmarks of self-organizing biologic systems that designate spatial information during pattern formation. Intracellular pattern formation represents a new paradigm in mitotic regulation.
Sample Preprocessing For Atomic Spectrometry

International Nuclear Information System (INIS)

Kim, Sun Tae

2004-08-01

This book gives descriptions of atomic spectrometry, which deals with atomic absorption spectrometry such as Maxwell-Boltzmann equation and Beer-Lambert law, atomic absorption spectrometry for solvent extraction, HGAAS, ETASS, and CVAAS and inductively coupled plasma emission spectrometer, such as basic principle, generative principle of plasma and device and equipment, and interferences, and inductively coupled plasma mass spectrometry like device, pros and cons of ICP/MS, sample analysis, reagent, water, acid, flux, materials of experiments, sample and sampling and disassembling of sample and pollution and loss in open system and closed system.
High-Resolution Assimilation of GRACE Terrestrial Water Storage Observations to Represent Local-Scale Water Table Depths

Science.gov (United States)

Stampoulis, D.; Reager, J. T., II; David, C. H.; Famiglietti, J. S.; Andreadis, K.

2017-12-01

Despite the numerous advances in hydrologic modeling and improvements in Land Surface Models, an accurate representation of the water table depth (WTD) still does not exist. Data assimilation of observations of the joint NASA and DLR mission, Gravity Recovery and Climate Experiment (GRACE) leads to statistically significant improvements in the accuracy of hydrologic models, ultimately resulting in more reliable estimates of water storage. However, the usually shallow groundwater compartment of the models presents a problem with GRACE assimilation techniques, as these satellite observations account for much deeper aquifers. To improve the accuracy of groundwater estimates and allow the representation of the WTD at fine spatial scales we implemented a novel approach that enables a large-scale data integration system to assimilate GRACE data. This was achieved by augmenting the Variable Infiltration Capacity (VIC) hydrologic model, which is the core component of the Regional Hydrologic Extremes Assessment System (RHEAS), a high-resolution modeling framework developed at the Jet Propulsion Laboratory (JPL) for hydrologic modeling and data assimilation. The model has insufficient subsurface characterization and therefore, to reproduce groundwater variability not only in shallow depths but also in deep aquifers, as well as to allow GRACE assimilation, a fourth soil layer of varying depth ( 1000 meters) was added in VIC as the bottom layer. To initialize a water table in the model we used gridded global WTD data at 1 km resolution which were spatially aggregated to match the model's resolution. Simulations were then performed to test the augmented model's ability to capture seasonal and inter-annual trends of groundwater. The 4-layer version of VIC was run with and without assimilating GRACE Total Water Storage anomalies (TWSA) over the Central Valley in California. This is the first-ever assimilation of GRACE TWSA for the determination of realistic water table depths, at
Transient flow between aquifers and surface water: analytically derived field-scale hydraulic heads and fluxes

Directory of Open Access Journals (Sweden)

G. H. de Rooij

2012-03-01

Full Text Available The increasing importance of catchment-scale and basin-scale models of the hydrological cycle makes it desirable to have a simple, yet physically realistic model for lateral subsurface water flow. As a first building block towards such a model, analytical solutions are presented for horizontal groundwater flow to surface waters held at prescribed water levels for aquifers with parallel and radial flow. The solutions are valid for a wide array of initial and boundary conditions and additions or withdrawals of water, and can handle discharge into as well as lateral infiltration from the surface water. Expressions for the average hydraulic head, the flux to or from the surface water, and the aquifer-scale hydraulic conductivity are developed to provide output at the scale of the modelled system rather than just point-scale values. The upscaled conductivity is time-variant. It does not depend on the magnitude of the flux but is determined by medium properties as well as the external forcings that drive the flow. For the systems studied, with lateral travel distances not exceeding 10 m, the circular aquifers respond very differently from the infinite-strip aquifers. The modelled fluxes are sensitive to the magnitude of the storage coefficient. For phreatic aquifers a value of 0.2 is argued to be representative, but considerable variations are likely. The effect of varying distributions over the day of recharge damps out rapidly; a soil water model that can provide accurate daily totals is preferable over a less accurate model hat correctly estimates the timing of recharge peaks.
Atomic-scale investigations of grain boundary segregation in astrology with a three dimensional atom-probe

Energy Technology Data Exchange (ETDEWEB)

Blavette, D. [Rouen Univ., 76 - Mont-Saint-Aignan (France). Lab. de Microscopie Electronique]|[Institut Universitaire de France (France); Letellier, L. [Rouen Univ., 76 - Mont-Saint-Aignan (France). Lab. de Microscopie Electronique; Duval, P. [Rouen Univ., 76 - Mont-Saint-Aignan (France). Lab. de Microscopie Electronique; Guttmann, M. [Rouen Univ., 76 - Mont-Saint-Aignan (France). Lab. de Microscopie Electronique]|[Institut de Recherches de la Siderurgie Francaise (IRSID), 57 - Maizieres-les-Metz (France)

1996-08-01

Both conventional and 3D atom-probes were applied to the investigation of grain-boundary (GB) segregation phenomena in two-phase nickel base superalloys Astroloy. 3D images as provided by the tomographic atom-probe reveal the presence of a strong segregation of both boron and molybdenum at grain-boundaries. Slight carbon enrichment is also detected. Considerable chromium segregation is exhibited at {gamma}`-{gamma}` grain-boundaries. All these segregants are distributed in a continuous manner along the boundary over a width close to 0.5 nm. Experiments show that segregation occurs during cooling and more probably between 1000 C and 800 C. Boron and molybdenum GB enrichments are interpreted as due to an equilibrium type-segregation while chromium segregation is thought to be induced by {gamma}` precipitation at GB`s and stabilised by the presence of boron. No segregation of zirconium is detected. (orig.)
Deposit and scale prevention methods in thermal sea water desalination

International Nuclear Information System (INIS)

Froehner, K.R.

1977-01-01

Introductory remarks deal with the 'fouling factor' and its influence on the overall heat transfer coefficient of msf evaporators. The composition of the matter dissolved in sea water and the thermal and chemical properties lead to formation of alkaline scale or even hard, sulphate scale on the heat exchanger tube walls and can hamper plant operation and economics seriously. Among the scale prevention methods are 1) pH control by acid dosing (decarbonation), 2) 'threshold treatment' by dosing of inhibitors of different kind, 3) mechanical cleaning by sponge rubber balls guided through the heat exchanger tubes, in general combined with methods no. 1 or 2, and 4) application of a scale crystals germ slurry (seeding). Mention is made of several other scale prevention proposals. The problems encountered with marine life (suspension, deposit, growth) in desalination plants are touched. (orig.) [de
Factors influencing intracellular uptake and radiosensitization by 2-nitroimidazoles in vitro

International Nuclear Information System (INIS)

Brown, D.M.; Gonzalez-Mendez, R.; Brown, J.M.

1983-01-01

In this study it is shown that the radiosensitization of hypoxic Chinese hamster ovary (HA-1) cells in vitro by misonidazole (MIS) and other 1-substituted 2-nitroimidazoles depends on the rate and extent of intracellular uptake of these radiosensitizers, which in turn is governed by their lipophilicity [expressed as the octanol:water partition coefficient (P)]. As the lipophilicity of the compounds decreased, the rate of drug entry into the cells was slower, and below P values of approximately 0.05, peak intracellular drug concentrations were found to be lower than that of MIS (P=0.43). In addition, the number of hydroxyl groups on the side chain of the nitroimidazole molecule influenced the uptake of drug into the cells. For compounds of similar P, but differing in the number of side-chain hydroxyl groups, the addition of a single hydroxyl group to the molecule decreased the amount of drug entering the cell by a factor of approximately 2. These compounds enter the cell by nonmediated passive diffusion since altering the energy (ATP) capacity of the cell by 2-deoxyglucose did not affect uptake. It is also shown that increases in temperature or decreases in pH can increase the intracellular uptake of MIS. For example, equal intracellular and extracellular concentrations (100% uptake) of MIS were obtained if cells were heated to 44-45 0 C for 15 min compared to 20-40% uptake at 37 0 C. Increases in MIS uptake by factors of 2 to 3 could be demonstrated within 30 min when cells were incubated in Hanks' balanced salt solution at pH between 6.0 and 6.3 without loss of cell viability. In addition, MIS uptake in aerobic cultured cells varied from 15 to 60% depending on the cell line and culure conditions used
Coulometric-potentiometric determination of autoprotolysis constant and relative acidity scale of water

Directory of Open Access Journals (Sweden)

Džudović Radmila M.

2010-01-01

Full Text Available The autoprotolysis constant and relative acidity scale of water were determined by applying the coulometric-potentiometric method and a hydrogen/palladium (H2/Pd generator anode. In the described procedure for the evaluation of autoprotolysis constant, a strong base generated coulometrically at the platinum cathode in situ in the electrolytic cell, in presence of sodium perchlorate as the supporting electrolyte, is titrated with hydrogen ions obtained by the anodic oxidation of hydrogen dissolved in palladium electrode. The titration was carried out with a glass-SCE electrode pair at 25.0±0.1°C. The value obtained pKw = 13.91 ± 0.06 is in agreement with literature data. The range of acidity scale of water is determined from the difference between the halfneutralization potentials of electrogenerated perchloric acid and that of sodium hydroxide in a sodium perchlorate medium. The halfneutralization potentials were measured using both a glass-SCE and a (H2/Pdind-SCE electrode pairs. A wider range of relative acidity scale of water was obtained with the glass-SCE electrode pair.
Absolute fragmentation cross sections in atom-molecule collisions: Scaling laws for non-statistical fragmentation of polycyclic aromatic hydrocarbon molecules

Energy Technology Data Exchange (ETDEWEB)

Chen, T.; Gatchell, M.; Stockett, M. H.; Alexander, J. D.; Schmidt, H. T.; Cederquist, H.; Zettergren, H., E-mail: henning@fysik.su.se [Department of Physics, Stockholm University, S-106 91 Stockholm (Sweden); Zhang, Y. [Department of Mathematics, Faculty of Physics, M. V. Lomonosov Moscow State University, Leninskie Gory, 119991 Moscow (Russian Federation); Rousseau, P.; Maclot, S.; Delaunay, R.; Adoui, L. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Université de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen Cedex 05 (France); Université de Caen Basse-Normandie, Esplanade de la Paix, F-14032 Caen (France); Domaracka, A.; Huber, B. A. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Université de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen Cedex 05 (France); Schlathölter, T. [Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747AG Groningen (Netherlands)

2014-06-14

We present scaling laws for absolute cross sections for non-statistical fragmentation in collisions between Polycyclic Aromatic Hydrocarbons (PAH/PAH{sup +}) and hydrogen or helium atoms with kinetic energies ranging from 50 eV to 10 keV. Further, we calculate the total fragmentation cross sections (including statistical fragmentation) for 110 eV PAH/PAH{sup +} + He collisions, and show that they compare well with experimental results. We demonstrate that non-statistical fragmentation becomes dominant for large PAHs and that it yields highly reactive fragments forming strong covalent bonds with atoms (H and N) and molecules (C{sub 6}H{sub 5}). Thus nonstatistical fragmentation may be an effective initial step in the formation of, e.g., Polycyclic Aromatic Nitrogen Heterocycles (PANHs). This relates to recent discussions on the evolution of PAHNs in space and the reactivities of defect graphene structures.
Determination of Krypton Diffusion Coefficients in Uranium Dioxide Using Atomic Scale Calculations.

Science.gov (United States)

Vathonne, Emerson; Andersson, David A; Freyss, Michel; Perriot, Romain; Cooper, Michael W D; Stanek, Christopher R; Bertolus, Marjorie

2017-01-03

We present a study of the diffusion of krypton in UO 2 using atomic scale calculations combined with diffusion models adapted to the system studied. The migration barriers of the elementary mechanisms for interstitial or vacancy assisted migration are calculated in the DFT+U framework using the nudged elastic band method. The attempt frequencies are obtained from the phonon modes of the defect at the initial and saddle points using empirical potential methods. The diffusion coefficients of Kr in UO 2 are then calculated by combining this data with diffusion models accounting for the concentration of vacancies and the interaction of vacancies with Kr atoms. We determined the preferred mechanism for Kr migration and the corresponding diffusion coefficient as a function of the oxygen chemical potential μ O or nonstoichiometry. For very hypostoichiometric (or U-rich) conditions, the most favorable mechanism is interstitial migration. For hypostoichiometric UO 2 , migration is assisted by the bound Schottky defect and the charged uranium vacancy, V U 4- . Around stoichiometry, migration assisted by the charged uranium-oxygen divacancy (V UO 2- ) and V U 4- is the favored mechanism. Finally, for hyperstoichiometric or O-rich conditions, the migration assisted by two V U 4- dominates. Kr migration is enhanced at higher μ O , and in this regime, the activation energy will be between 4.09 and 0.73 eV depending on nonstoichiometry. The experimental values available are in the latter interval. Since it is very probable that these values were obtained for at least slightly hyperstoichiometric samples, our activation energies are consistent with the experimental data, even if further experiments with precisely controlled stoichiometry are needed to confirm these results. The mechanisms and trends with nonstoichiometry established for Kr are similar to those found in previous studies of Xe.
Atomic-Scale Control of Electron Transport through Single Molecules

DEFF Research Database (Denmark)

Wang, Y. F.; Kroger, J.; Berndt, R.

2010-01-01

Tin-phthalocyanine molecules adsorbed on Ag(111) were contacted with the tip of a cryogenic scanning tunneling microscope. Orders-of-magnitude variations of the single-molecule junction conductance were achieved by controllably dehydrogenating the molecule and by modifying the atomic structure...
Fully glutathione degradable waterborne polyurethane nanocarriers: Preparation, redox-sensitivity, and triggered intracellular drug release

Energy Technology Data Exchange (ETDEWEB)

Omrani, Ismail; Babanejad, Niloofar; Shendi, Hasan Kashef; Nabid, Mohammad Reza, E-mail: m-nabid@sbu.ac.ir

2017-01-01

Polyurethanes are important class of biomaterials that are extensively used in medical devices. In spite of their easy synthesis, polyurethanes that are fully degradable in response to the intracellular reducing environment are less explored for controlled drug delivery. Herein, a novel glutathione degradable waterborne polyurethane (WPU) nanocarrier for redox triggered intracellular delivery of a model lipophilic anticancer drug, doxorubicin (DOX) is reported. The WPU was prepared from polyaddition reaction of isophorone diisocyanate (IPDI) and a novel linear polyester polyol involving disulfide linkage, disulfide labeled chain extender, dimethylolpropionic acid (DMPA) using dibutyltin dilaurate (DBTDL) as a catalyst. The resulting polyurethane self-assembles into nanocarrier in water. The dynamic light scattering (DLS) measurements and scanning electron microscope (SEM) revealed fast swelling and disruption of nanocarriers under an intracellular reduction-mimicking environment. The in vitro release studies showed that DOX was released in a controlled and redox-dependent manner. MTT assays showed that DOX-loaded WPU had a high in vitro antitumor activity in both HDF noncancer cells and MCF- 7 cancer cells. In addition, it is found that the blank WPU nanocarriers are nontoxic to HDF and MCF-7 cells even at a high concentration of 2 mg/mL. Hence, nanocarriers based on disulfide labeled WPU have appeared as a new class of biocompatible and redox-degradable nanovehicle for efficient intracellular drug delivery. - Highlights: • A novel fully glutathione degradable waterborne polyurethane was developed. • The waterborne nanocarrier with disulfide bonds in both hard and soft segment were developed for redox-triggered intracellular delivery of DOX. • The polyester diol bearing disulfide bonds in the backbone was prepared by a polycondensation polymerization reaction.
Single atom spectroscopy: Decreased scattering delocalization at high energy losses, effects of atomic movement and X-ray fluorescence yield

International Nuclear Information System (INIS)

Tizei, Luiz H.G.; Iizumi, Yoko; Okazaki, Toshiya; Nakanishi, Ryo; Kitaura, Ryo; Shinohara, Hisanori; Suenaga, Kazu

2016-01-01

Single atom localization and identification is crucial in understanding effects which depend on the specific local environment of atoms. In advanced nanometer scale materials, the characteristics of individual atoms may play an important role. Here, we describe spectroscopic experiments (electron energy loss spectroscopy, EELS, and Energy Dispersed X-ray spectroscopy, EDX) using a low voltage transmission electron microscope designed towards single atom analysis. For EELS, we discuss the advantages of using lower primary electron energy (30 keV and 60 keV) and higher energy losses (above 800 eV). The effect of atomic movement is considered. Finally, we discuss the possibility of using atomically resolved EELS and EDX data to measure the fluorescence yield for X-ray emission.
A scale model to evaluate water evaporation from indoor swimming pools

Energy Technology Data Exchange (ETDEWEB)

Asdrubali, F. [Department of Industrial Engineering, University of Perugia, Via G. Duranti 67, 06125 Perugia (Italy)

2009-03-15

The evaluation of water evaporation from indoor swimming pools is a topic of considerable practical interest, since evaporation may cause the highest energy consumption of the pool plant. A purposely designed experimental apparatus was used to measure the water evaporation rate from a pool scale model inserted into a climatic chamber to control environmental conditions. The experimental data were obtained varying various parameters such as water temperature, air temperature, relative humidity and air velocity. The results were used to propose a prediction model for water evaporation which was compared to other methods found in the literature, showing a good agreement. (author)
Acoustic emission and magnification of atomic lines resolution for laser breakdown of salt water in ultrasound field

International Nuclear Information System (INIS)

Bulanov, Alexey V.; Nagorny, Ivan G.

2015-01-01

Researches of the acoustic effects accompanying optical breakdown in a water, generated by the focused laser radiation with power ultrasound have been carried out. Experiments were performed by using 532 nm pulses from Brilliant B Nd:YAG laser. Acoustic radiation was produced by acoustic focusing systems in the form hemisphere and ring by various resonance frequencies of 10.7 kHz and 60 kHz. The experimental results are obtained, that show the sharply strengthens effects of acoustic emission from a breakdown zone by the joint influence of a laser and ultrasonic irradiation. Essentially various thresholds of breakdown and character of acoustic emission in fresh and sea water are found out. The experimental result is established, testifying that acoustic emission of optical breakdown of sea water at presence and at absence of ultrasound essentially exceeds acoustic emission in fresh water. Atomic lines of some chemical elements like a Sodium, Magnesium and so on were investigated for laser breakdown of water with ultrasound field. The effect of magnification of this lines resolution for salt water in ultrasound field was obtained
Structure of the SH3 domain of human osteoclast-stimulating factor at atomic resolution

International Nuclear Information System (INIS)

Chen, Liqing; Wang, Yujun; Wells, David; Toh, Diana; Harold, Hunt; Zhou, Jing; DiGiammarino, Enrico; Meehan, Edward J.

2006-01-01

The crystal structure of the SH3 domain of human osteoclast-stimulating factor has been determined and refined to the ultrahigh resolution of 1.07 Å. The structure at atomic resolution provides an accurate framework for structure-based design of its inhibitors. Osteoclast-stimulating factor (OSF) is an intracellular signaling protein, produced by osteoclasts themselves, that enhances osteoclast formation and bone resorption. It is thought to act via an Src-related signaling pathway and contains SH3 and ankyrin-repeat domains which are involved in protein–protein interactions. As part of a structure-based anti-bone-loss drug-design program, the atomic resolution X-ray structure of the recombinant human OSF SH3 domain (hOSF-SH3) has been determined. The domain, residues 12–72, yielded crystals that diffracted to the ultrahigh resolution of 1.07 Å. The overall structure shows a characteristic SH3 fold consisting of two perpendicular β-sheets that form a β-barrel. Structure-based sequence alignment reveals that the putative proline-rich peptide-binding site of hOSF-SH3 consists of (i) residues that are highly conserved in the SH3-domain family, including residues Tyr21, Phe23, Trp49, Pro62, Asn64 and Tyr65, and (ii) residues that are less conserved and/or even specific to hOSF, including Thr22, Arg26, Thr27, Glu30, Asp46, Thr47, Asn48 and Leu60, which might be key to designing specific inhibitors for hOSF to fight osteoporosis and related bone-loss diseases. There are a total of 13 well defined water molecules forming hydrogen bonds with the above residues in and around the peptide-binding pocket. Some of those water molecules might be important for drug-design approaches. The hOSF-SH3 structure at atomic resolution provides an accurate framework for structure-based design of its inhibitors
Quantitative measurement of intracellular transport of nanocarriers by spatio-temporal image correlation spectroscopy

Science.gov (United States)

Coppola, S.; Pozzi, D.; Candeloro De Sanctis, S.; Digman, M. A.; Gratton, E.; Caracciolo, G.

2013-03-01

Spatio-temporal image correlation spectroscopy (STICS) is a powerful technique for assessing the nature of particle motion in complex systems although it has been rarely used to investigate the intracellular dynamics of nanocarriers so far. Here we introduce a method for characterizing the mode of motion of nanocarriers and for quantifying their transport parameters on different length scales from single-cell to subcellular level. Using this strategy we were able to study the mechanisms responsible for the intracellular transport of DOTAP-DOPC/DNA (DOTAP: 1,2-dioleoyl-3-trimethylammonium-propane; DOPC: dioleoylphosphocholine) and DC-Chol-DOPE/DNA (DC-Chol: 3β-[N-(N,N-dimethylaminoethane)-carbamoyl] cholesterol; DOPE: dioleoylphosphatidylethanolamine) lipoplexes in CHO-K1 (CHO: Chinese hamster ovary) live cells. Measurement of both diffusion coefficients and velocity vectors (magnitude and direction) averaged over regions of the cell revealed the presence of distinct modes of motion. Lipoplexes diffused slowly on the cell surface (diffusion coefficient: D ≈ 0.003 μm2 s-1). In the cytosol, the lipoplexes’ motion was characterized by active transport with average velocity v ≈ 0.03 μm2 s-1 and random motion. The method permitted us to generate an intracellular transport map showing several regions of concerted motion of lipoplexes.
Quantitative measurement of intracellular transport of nanocarriers by spatio-temporal image correlation spectroscopy

International Nuclear Information System (INIS)

Coppola, S; Pozzi, D; De Sanctis, S Candeloro; Caracciolo, G; Digman, M A; Gratton, E

2013-01-01

Spatio-temporal image correlation spectroscopy (STICS) is a powerful technique for assessing the nature of particle motion in complex systems although it has been rarely used to investigate the intracellular dynamics of nanocarriers so far. Here we introduce a method for characterizing the mode of motion of nanocarriers and for quantifying their transport parameters on different length scales from single-cell to subcellular level. Using this strategy we were able to study the mechanisms responsible for the intracellular transport of DOTAP–DOPC/DNA (DOTAP: 1,2-dioleoyl-3-trimethylammonium-propane; DOPC: dioleoylphosphocholine) and DC-Chol–DOPE/DNA (DC-Chol: 3β-[N-(N,N-dimethylaminoethane)-carbamoyl] cholesterol; DOPE: dioleoylphosphatidylethanolamine) lipoplexes in CHO-K1 (CHO: Chinese hamster ovary) live cells. Measurement of both diffusion coefficients and velocity vectors (magnitude and direction) averaged over regions of the cell revealed the presence of distinct modes of motion. Lipoplexes diffused slowly on the cell surface (diffusion coefficient: D ≈ 0.003 μm 2 s −1 ). In the cytosol, the lipoplexes’ motion was characterized by active transport with average velocity v ≈ 0.03 μm 2 s −1 and random motion. The method permitted us to generate an intracellular transport map showing several regions of concerted motion of lipoplexes. (paper)
Water Resources Implications of Cellulosic Biofuel Production at a Regional Scale

Science.gov (United States)

Christopher, S. F.; Schoenholtz, S. H.; Nettles, J. E.

2011-12-01

Recent increases in oil prices, a strong national interest in greater energy independence, and a concern for the role of fossil fuels in global climate change, have led to a dramatic expansion in use of alternative renewable energy sources in the U.S. The U.S. government has mandated production of 36 billion gallons of renewable fuels by 2022, of which 16 billion gallons are required to be cellulosic biofuels. Production of cellulosic biomass offers a promising alternative to corn-based systems because large-scale production of corn-based ethanol often requires irrigation and is associated with increased erosion, excess sediment export, and enhanced leaching of nitrogen and phosphorus. Although cultivation of switchgrass using standard agricultural practices is one option being considered for production of cellulosic biomass, intercropping cellulosic biofuel crops within managed forests could provide feedstock without primary land use change or the water quality impacts associated with annual crops. Catchlight Energy LLC is examining the feasibility and sustainability of intercropping switchgrass in loblolly pine plantations in the southeastern U.S. Ongoing research is determining efficient operational techniques and information needed to evaluate effects of these practices on water resources in small watershed-scale (~25 ha) studies. Three sets of four to five sub-watersheds are fully instrumented and currently collecting calibration data in North Carolina, Alabama, and Mississippi. These watershed studies will provide detailed information to understand processes and guide management decisions. However, environmental implications of cellulosic systems need to be examined at a regional scale. We used the Soil Water Assessment Tool (SWAT), a physically-based hydrologic model, to examine water quantity effects of various land use change scenarios ranging from switchgrass intercropping a small percentage of managed pine forest land to conversion of all managed

Epithelial Cell Gene Expression Induced by Intracellular Staphylococcus aureus

Directory of Open Access Journals (Sweden)

Xianglu Li

2009-01-01

Full Text Available HEp-2 cell monolayers were cocultured with intracellular Staphylococcus aureus, and changes in gene expression were profiled using DNA microarrays. Intracellular S. aureus affected genes involved in cellular stress responses, signal transduction, inflammation, apoptosis, fibrosis, and cholesterol biosynthesis. Transcription of stress response and signal transduction-related genes including atf3, sgk, map2k1, map2k3, arhb, and arhe was increased. In addition, elevated transcription of proinflammatory genes was observed for tnfa, il1b, il6, il8, cxcl1, ccl20, cox2, and pai1. Genes involved in proapoptosis and fibrosis were also affected at transcriptional level by intracellular S. aureus. Notably, intracellular S. aureus induced strong transcriptional down-regulation of several cholesterol biosynthesis genes. These results suggest that epithelial cells respond to intracellular S. aureus by inducing genes affecting immunity and in repairing damage caused by the organism, and are consistent with the possibility that the organism exploits an intracellular environment to subvert host immunity and promote colonization.
Atomic-scale nanowires: physical and electronic structure

International Nuclear Information System (INIS)

Bowler, D R

2004-01-01

The technology to build and study nanowires with sizes ranging from individual atoms to tens of nanometres has been developing rapidly over the last few years. We survey the motivation behind these developments, and summarize the basics behind quantized conduction. Several of the different experimental techniques and materials systems used in the creation of nanowires are examined, and the range of theoretical methods developed both for examining open systems (especially their conduction properties) and for modelling large systems are considered. We present various noteworthy example results from the field, before concluding with a look at future directions. (topical review)
Detection and control of broken symmetries with Andreev bound state tunneling spectroscopy: effects of atomic-scale disorder

International Nuclear Information System (INIS)

Greene, L.H.; Hentges, P.J.; Aubin, H.; Aprili, M.; Badica, E.; Covington, M.; Pafford, M.M.; Westwood, G.; Klemperer, W.G.; Jian, Sha; Hinks, D.G.

2004-01-01

Quasiparticle planar tunneling spectroscopy is used to study unconventional superconductivity in YBa 2 Cu 3 O 7 (YBCO) thin films and Bi 2 Sr 2 CaCu 2 O 8 (BSCCO) single crystals. Tunneling conductances are obtained as a function of crystallographic orientation, applied magnetic field (magnitude and orientation), atomic substitution and surface damage. Our systematic studies confirm that the observed zero-bias conductance peak (ZBCP), a measure of the near-surface quasiparticle (QP) density of states (DoS), is comprised of Andreev bound states (ABS) resulting directly from the sign change of the d-wave order parameter (OP) at the Fermi surface. Our data, plus a literature search, reveals a consistency in the observation of the splitting of the ZBCP in optimally-doped materials. We note that the splitting of the ZBCP observed in applied field, and the spontaneous splitting observed at lower temperatures in zero field, occur concomitantly in a given junction, and that observation of this splitting is dependent upon two parameters: (1) the magnitude of the tunneling cone and (2) the degree of atomic-scale disorder at the interface
Small scale lithium-lead/water-interaction studies

International Nuclear Information System (INIS)

Kranert, O.; Kottowski, H.

1991-01-01

One current concept in fusion blanket design is to utilize water as the coolant and liquid lithium-lead as the breeding/neutron multiplier material. Considering the complex design of the blanket module, it is likely that a water leakage into the liquid alloy may occur due to a tube rupture provoking an intolerable pressure increase in the blanket module. The pressure increase is caused by the combined chemical and thermohydraulic reaction of lithium-lead with water. Experiments which simulate such a transient event are necessary to obtain information which is important for the blanket module design. The interaction has been investigated by conducting small-scale experiments at various injection pressures, alloy- and coolant temperatures. Besides using eutectic Li 17 Pb 83 , Li 7 Pb 2 , lithium and lead have been used. Among other results, the experiments indicate increasing chemical reaction with increasing lithium concentration. At the same time, the chemical reaction inhibits violent thermohydaulic reactions due to the attenuating effect of the hydrogen produced. The preliminary epxerimental results from Li 17 Pb 83 and Li 7 Pb 2 reveal that the pressure- and temperature transients caused by the chemical and thermohydraulic reactions lie within technically manageable limits. (orig.)
Atomic transport properties

International Nuclear Information System (INIS)

Freyss, M.

2015-01-01

As presented in the first chapter of this book, atomic transport properties govern a large panel of nuclear fuel properties, from its microstructure after fabrication to its behaviour under irradiation: grain growth, oxidation, fission product release, gas bubble nucleation. The modelling of the atomic transport properties is therefore the key to understanding and predicting the material behaviour under irradiation or in storage conditions. In particular, it is noteworthy that many modelling techniques within the so-called multi-scale modelling scheme of materials make use of atomic transport data as input parameters: activation energies of diffusion, diffusion coefficients, diffusion mechanisms, all of which are then required to be known accurately. Modelling approaches that are readily used or which could be used to determine atomic transport properties of nuclear materials are reviewed here. They comprise, on the one hand, static atomistic calculations, in which the migration mechanism is fixed and the corresponding migration energy barrier is calculated, and, on the other hand, molecular dynamics calculations and kinetic Monte-Carlo simulations, for which the time evolution of the system is explicitly calculated. (author)
From microbes to water districts: Linking observations across scales to uncover the implications of riparian and channel management on water quality in an irrigated agricultural landscape

Science.gov (United States)

Webster, A.; Cadenasso, M. L.

2016-12-01

Interactions among runoff, riparian and stream ecosystems, and water quality remain uncertain in many settings, particularly those heavily impacted by human activities. For example, waterways in the irrigated agricultural landscape of California's Central Valley are seasonally disconnected from groundwater tables and are extensively modified by infrastructure and management. These conditions make the impact of riparian and channel management difficult to predict across scales, which hinders efforts to promote best management practices to improve water quality. We seek to link observations across catchment, reach, and patch scales to understand patterns of nitrate and turbidity in waterways draining irrigated cropland. Data was collected on 80 reaches spanning two water management districts. At the catchment scale, water districts implemented waterway and riparian management differently: one water district had a decentralized approach, allowing individual land owners to manage their waterway channels and banks, while the other had a centralized approach, in which land owners defer management to a district-run program. At the reach scale, riparian and waterway vegetation, geomorphic complexity, and flow conditions were quantified. Reach-scale management such as riparian planting projects and channel dredging frequency were also considered. At the patch scale, denitrification potential and organic matter were measured in riparian toe-slope soils and channel sediments, along with associated vegetation and geomorphic features. All factors were tested for their ability to predict water quality using generalized linear mixed effects models and the consistency of predictors within and across scales was evaluated. A hierarchy of predictors emerges: catchment-scale management regimes predict reach-scale geomorphic and vegetation complexity, which in turn predicts sediment denitrification potential - the patch-scale factor most associated with low nitrate. Similarly
Determination of silver in fresh water by atomic absorption spectrometry following flotation preconcentration by iron(III) collectors

Energy Technology Data Exchange (ETDEWEB)

Cundeva, K.; Stafilov, T. [Institute of Chemistry, Faculty of Science, St. Cyril and Methodius University, Skopje (Yugoslavia)

1997-08-01

Colloid precipitate flotation of silver from fresh water is applied for preconcentration and separation. Optimal conditions using hydrated iron(III) oxide and iron(III) tetramethylenedithiocarbamate as collectors were investigated. Various factors affecting the silver recovery, including collector mass, nature of the supporting electrolyte, pH of the working medium, electrokinetic potential of the collector particle surfaces, type of surfactant, induction time etc., were checked. Within the optimal pH range (5.5-6.5) silver was separated quantitatively (94.9- 100.0%) with 30 mg Fe(III) as collector. The content of silver was determined by electrothermal atomic absorption spectrometry and compared to that from inductively coupled plasma-atomic emission spectrometry. The detection limit of silver by the method described is 0.01 {mu}g/L. (orig.) With 2 figs., 3 tabs.
Determination of lead in water by electrothermal atomic absorption spectrometry with a nickel(II)-ammonium tartrate modifier

International Nuclear Information System (INIS)

Sekerka, I.; Lechner, J.F.

1991-01-01

A method is described for the determination of low concentrations of lead in water samples. Atomic absorption spectrometry is used with a tungsten ribbon furnace and Zeeman background correction. Interferences are eliminated by the addition of ammonium tartrate and nickel(II) nitrate to the samples to act as a matrix modifier and adjust the pH. The results show the superior performance of this modifier over other types used conventionally. The detection limit is 1 μg l -1 relative standard deviation of -1 can be obtained. The instrumentation is simple and the method is efficient for the determination of lead in various water samples. 25 refs.; 7 figs.; 6 tabs
Air scaling and modeling studies for the 1/5-scale mark I boiling water reactor pressure suppression experiment

Energy Technology Data Exchange (ETDEWEB)

Lai, W.; McCauley, E.W.

1978-01-04

Results of table-top model experiments performed to investigate pool dynamics effects due to a postulated loss-of-coolant accident (LOCA) for the Peach Bottom Mark I boiling water reactor containment system guided subsequent conduct of the 1/5-scale torus experiment and provided new insight into the vertical load function (VLF). Pool dynamics results were qualitatively correct. Experiments with a 1/64-scale fully modeled drywell and torus showed that a 90/sup 0/ torus sector was adequate to reveal three-dimensional effects; the 1/5-scale torus experiment confirmed this.
Air scaling and modeling studies for the 1/5-scale mark I boiling water reactor pressure suppression experiment

International Nuclear Information System (INIS)

Lai, W.; McCauley, E.W.

1978-01-01

Results of table-top model experiments performed to investigate pool dynamics effects due to a postulated loss-of-coolant accident (LOCA) for the Peach Bottom Mark I boiling water reactor containment system guided subsequent conduct of the 1/5-scale torus experiment and provided new insight into the vertical load function (VLF). Pool dynamics results were qualitatively correct. Experiments with a 1/64-scale fully modeled drywell and torus showed that a 90 0 torus sector was adequate to reveal three-dimensional effects; the 1/5-scale torus experiment confirmed this
The standard deviation of extracellular water/intracellular water is associated with all-cause mortality and technique failure in peritoneal dialysis patients.

Science.gov (United States)

Tian, Jun-Ping; Wang, Hong; Du, Feng-He; Wang, Tao

2016-09-01

The mortality rate of peritoneal dialysis (PD) patients is still high, and the predicting factors for PD patient mortality remain to be determined. This study aimed to explore the relationship between the standard deviation (SD) of extracellular water/intracellular water (E/I) and all-cause mortality and technique failure in continuous ambulatory PD (CAPD) patients. All 152 patients came from the PD Center between January 1st 2006 and December 31st 2007. Clinical data and at least five-visit E/I ratio defined by bioelectrical impedance analysis were collected. The patients were followed up till December 31st 2010. The primary outcomes were death from any cause and technique failure. Kaplan-Meier analysis and Cox proportional hazards models were used to identify risk factors for mortality and technique failure in CAPD patients. All patients were followed up for 59.6 ± 23.0 months. The patients were divided into two groups according to their SD of E/I values: lower SD of E/I group (≤0.126) and higher SD of E/I group (>0.126). The patients with higher SD of E/I showed a higher all-cause mortality (log-rank χ (2) = 10.719, P = 0.001) and technique failure (log-rank χ (2) = 9.724, P = 0.002) than those with lower SD of E/I. Cox regression analysis found that SD of E/I independently predicted all-cause mortality (HR 3.551, 95 % CI 1.442-8.746, P = 0.006) and technique failure (HR 2.487, 95 % CI 1.093-5.659, P = 0.030) in CAPD patients after adjustment for confounders except when sensitive C-reactive protein was added into the model. The SD of E/I was a strong independent predictor of all-cause mortality and technique failure in CAPD patients.
Water quality analysis and its relation to the scaling and corrosion tendency in an open water cooling system

International Nuclear Information System (INIS)

Zaini Hamzah; Halimah Abdul Ghani; Masitah Alias

2008-01-01

The problem of scaling and corrosion are common phenomena in a water cooling system especially the open cooling system. This study was carried out in Temenggor dam with an objective to check the water quality at the intake and tailrace of the hydro power plant. In-situ measurement and laboratory analysis on the water samples were carried out. Seven parameters were measured in-situ for example temperature, pH, specific conductivity, dissolved oxygen (DO), total dissolved solid (TDS), turbidity, and chlorine concentration. The water samples were collected using water sampler at three locations near the intake area at surface, and at the interval of one meter up to three meter depth. Two locations at the tailrace also were collected in the same pattern. These samples were brought back to the laboratory in UiTM, Shah Alam for further analysis. Laboratory analysis includes alkalinity, Ca 2+ , Mg 2+ and Fe 2+ concentrations, and total suspended solid (TSS). From the results, the LSI, RSI and PSI were calculated to predict the scaling and corrosion tendency. The index shows strong tendency for corrosion to take place in the cooling system as the related factors supported it. (author)
Phonon interference control of atomic-scale metamirrors, meta-absorbers, and heat transfer through crystal interfaces

Science.gov (United States)

Kosevich, Yu. A.; Potyomina, L. G.; Darinskii, A. N.; Strelnikov, I. A.

2018-03-01

The paper theoretically studies the possibility of using the effects of phonon interference between paths through different interatomic bonds for the control of phonon heat transfer through internal crystal interfaces and for the design of phonon metamirrors and meta-absorbers. These metamirrors and meta-absorbers are considered to be defect nanolayers of atomic-scale thicknesses embedded in a crystal. Several analytically solvable three-dimensional lattice-dynamics models of the phonon metamirrors and meta-absorbers at the internal crystal planes are described. It is shown that due to destructive interference in the two or more phonon paths, the internal crystal planes, fully or partially filled with weakly bound or heavy-isotope defect atoms, can completely reflect or completely absorb phonons at the transmission antiresonances, whose wavelengths are larger than the effective thickness of the metamirror or meta-absorber. Due to cooperative superradiant effect, the spectral widths of the two-path interference antiresonances for the plane waves are given by the square of partial filling fraction in the defect crystal plane. Our analysis reveals that the presence of two or more phonon paths plays the dominant role in the emergence of the transmission antiresonances in phonon scattering at the defect crystal planes and in reduction of the thermal interface conductance in comparison with the Fano-resonance concept. We study analytically phonon transmission through internal crystal plane in a model cubic lattice of Si-like atoms, partially filled with Ge-like defect atoms. Such a plane can serve as interference phonon metamirror with the transmission antiresonances in the vicinities of eigenmode frequencies of Ge-like defect atoms in the terahertz frequency range. We predict the extraordinary phonon transmission induced by the two-path constructive interference of the lattice waves in resonance with the vibrations of rare host atoms, periodically distributed in the
Stress relaxation study of water atomized Cu-Cr-Zr powder alloys consolidated by inverse warm extrusion

International Nuclear Information System (INIS)

Poblano-Salas, C.A.; Barceinas-Sanchez, J.D.O.

2009-01-01

Stress relaxation testing in compression at high temperature was performed on Cu-Cr-Zr alloys produced by consolidation of water atomized powders. Precipitation and recrystallization were monitored during stress relaxation experiments carried out at an ageing temperature of 723 K. Pre-straining imposed to the Cu-Cr-Zr samples prior to stress relaxation testing resulted in reduced hardness compared to that reported for conventionally-aged alloys; it also resulted in shorter times for achieving maximum strengthening on ageing.
Small-scale, hydrogen-oxidizing-denitrifying bioreactor for treatment of nitrate-contaminated drinking water.

Science.gov (United States)

Smith, Richard L; Buckwalter, Seanne P; Repert, Deborah A; Miller, Daniel N

2005-05-01

Nitrate removal by hydrogen-coupled denitrification was examined using flow-through, packed-bed bioreactors to develop a small-scale, cost effective system for treating nitrate-contaminated drinking-water supplies. Nitrate removal was accomplished using a Rhodocyclus sp., strain HOD 5, isolated from a sole-source drinking-water aquifer. The autotrophic capacity of the purple non-sulfur photosynthetic bacterium made it particularly adept for this purpose. Initial tests used a commercial bioreactor filled with glass beads and countercurrent, non-sterile flow of an autotrophic, air-saturated, growth medium and hydrogen gas. Complete removal of 2 mM nitrate was achieved for more than 300 days of operation at a 2-h retention time. A low-cost hydrogen generator/bioreactor system was then constructed from readily available materials as a water treatment approach using the Rhodocyclus strain. After initial tests with the growth medium, the constructed system was tested using nitrate-amended drinking water obtained from fractured granite and sandstone aquifers, with moderate and low TDS loads, respectively. Incomplete nitrate removal was evident in both water types, with high-nitrite concentrations in the bioreactor output, due to a pH increase, which inhibited nitrite reduction. This was rectified by including carbon dioxide in the hydrogen stream. Additionally, complete nitrate removal was accomplished with wastewater-impacted surface water, with a concurrent decrease in dissolved organic carbon. The results of this study using three chemically distinct water supplies demonstrate that hydrogen-coupled denitrification can serve as the basis for small-scale remediation and that pilot-scale testing might be the next logical step.
Overall Key Performance Indicator to Optimizing Operation of High-Pressure Homogenizers for a Reliable Quantification of Intracellular Components in Pichia pastoris.

Science.gov (United States)

Garcia-Ortega, Xavier; Reyes, Cecilia; Montesinos, José Luis; Valero, Francisco

2015-01-01

The most commonly used cell disruption procedures may present lack of reproducibility, which introduces significant errors in the quantification of intracellular components. In this work, an approach consisting in the definition of an overall key performance indicator (KPI) was implemented for a lab scale high-pressure homogenizer (HPH) in order to determine the disruption settings that allow the reliable quantification of a wide sort of intracellular components. This innovative KPI was based on the combination of three independent reporting indicators: decrease of absorbance, release of total protein, and release of alkaline phosphatase activity. The yeast Pichia pastoris growing on methanol was selected as model microorganism due to it presents an important widening of the cell wall needing more severe methods and operating conditions than Escherichia coli and Saccharomyces cerevisiae. From the outcome of the reporting indicators, the cell disruption efficiency achieved using HPH was about fourfold higher than other lab standard cell disruption methodologies, such bead milling cell permeabilization. This approach was also applied to a pilot plant scale HPH validating the methodology in a scale-up of the disruption process. This innovative non-complex approach developed to evaluate the efficacy of a disruption procedure or equipment can be easily applied to optimize the most common disruption processes, in order to reach not only reliable quantification but also recovery of intracellular components from cell factories of interest.
Self-referenced coherent diffraction x-ray movie of Ångstrom- and femtosecond-scale atomic motion

International Nuclear Information System (INIS)

Glownia, J. M.; Natan, A.; Cryan, J. P.; Hartsock, R.; Kozina, M.

2016-01-01

Time-resolved femtosecond x-ray diffraction patterns from laser-excited molecular iodine are used to create a movie of intramolecular motion with a temporal and spatial resolution of 30 fs and 0.3 Å. This high fidelity is due to interference between the nonstationary excitation and the stationary initial charge distribution. The initial state is used as the local oscillator for heterodyne amplification of the excited charge distribution to retrieve real-space movies of atomic motion on ångstrom and femtosecond scales. This x-ray interference has not been employed to image internal motion in molecules before. In conclusion, coherent vibrational motion and dispersion, dissociation, and rotational dephasing are all clearly visible in the data, thereby demonstrating the stunning sensitivity of heterodyne methods.
Negotiation of intracellular membrane barriers by TAT-modified gold nanoparticles.

Science.gov (United States)

Krpetić, Zeljka; Saleemi, Samia; Prior, Ian A; Sée, Violaine; Qureshi, Rumana; Brust, Mathias

2011-06-28

This paper contributes to the debate on how nanosized objects negotiate membrane barriers inside biological cells. The uptake of peptide-modified gold nanoparticles by HeLa cells has been quantified using atomic emission spectroscopy. The TAT peptide from the HIV virus was singled out as a particularly effective promoter of cellular uptake. The evolution of the intracellular distribution of TAT-modified gold nanoparticles with time has been studied in detail by TEM and systematic image analysis. An unusual trend of particles disappearing from the cytosol and the nucleus and accumulating massively in vesicular bodies was observed. Subsequent release of the particles, both by membrane rupture and by direct transfer across the membrane boundary, was frequently found. Ultimately, near total clearing of particles from the cells occurred. This work provides support for the hypothesis that cell-penetrating peptides can enable small objects to negotiate membrane barriers also in the absence of dedicated transport mechanisms.
Coexistence and conflict: IWRM and large-scale water infrastructure development in Piura, Peru

Directory of Open Access Journals (Sweden)

Megan Mills-Novoa

2017-06-01

Full Text Available Despite the emphasis of Integrated Water Resources Management (IWRM on 'soft' demand-side management, large-scale water infrastructure is increasingly being constructed in basins managed under an IWRM framework. While there has been substantial research on IWRM, few scholars have unpacked how IWRM and large-scale water infrastructure development coexist and conflict. Piura, Peru is an important site for understanding how IWRM and capital-intensive, concrete-heavy water infrastructure development articulate in practice. After 70 years of proposals and planning, the Regional Government of Piura began construction of the mega-irrigation project, Proyecto Especial de Irrigación e Hidroeléctrico del Alto Piura (PEIHAP in 2013. PEIHAP, which will irrigate an additional 19,000 hectares (ha, is being realised in the wake of major reforms in the ChiraPiura River Basin, a pilot basin for the IWRM-inspired 2009 Water Resources Law. We first map the historical trajectory of PEIHAP as it mirrors the shifting political priorities of the Peruvian state. We then draw on interviews with the newly formed River Basin Council, regional government, PEIHAP, and civil society actors to understand why and how these differing water management paradigms coexist. We find that while the 2009 Water Resources Law labels large-scale irrigation infrastructure as an 'exceptional measure', this development continues to eclipse IWRM provisions of the new law. This uneasy coexistence reflects the parallel desires of the state to imbue water policy reform with international credibility via IWRM while also furthering economic development goals via largescale water infrastructure. While the participatory mechanisms and expertise of IWRM-inspired river basin councils have not been brought to bear on the approval and construction of PEIHAP, these institutions will play a crucial role in managing the myriad resource and social conflicts that are likely to result.
HYPERTHERMIA, INTRACELLULAR FREE CALCIUM AND CALCIUM IONOPHORES

NARCIS (Netherlands)

STEGE, GJJ; WIERENGA, PK; KAMPINGA, HH; KONINGS, AWT

1993-01-01

It is shown that heat-induced increase of intracellular calcium does not correlate with hyperthermic cell killing. Six different cell lines were investigated; in four (EAT, HeLa S3, L5178Y-R and L5178Y-S) heat treatments killing 90% of the cells did not affect the levels of intracellular free

Atomic-Scale Simulations of Cascade Overlap and Damage Evolution in Silicon Carbide

International Nuclear Information System (INIS)

Gao, Fei; Weber, William J.

2003-01-01

In a previous computer simulation experiment, the accumulation of damage in SiC from the overlap of 10 keV Si displacement cascades at 200 K was investigated, and the damage states produced following each cascade were archived for further analysis. In the present study, interstitial clustering, system energy, and volume changes are investigated as the damage states evolve due to cascade overlap. An amorphous state is achieved at a damage energy density of 27.5 eV/atom (0.28 displacements per atom). At low dose levels, most defects are produced as isolated Frenkel pairs, with a small number of defect clusters involving only 4 to 6 atoms; however, after the overlap of 5 cascades (0.0125 displacements per atom), the size and number of interstitial clusters increases with increasing dose. The average energy per atom increases linearly with increasing short-range (or chemical) disorder. The volume change exhibits two regimes of linear dependence on system energy and increases more rapidly with dose than either the energy or the disorder, which indicate a significant contribution to swelling of isolated interstitials and anti-site defects. The saturation volume change for the cascade-amorphized state in these simulations is 8.2%, which is in reasonable agreement with the experimental value of 10.8% in neutron-irradiated SiC
The Transport of Close-In Fallout Plutonium in the Northwest Pacific Ocean: Tracing the Water Mass Movement Using {sup 240}Pu/{sup 239}Pu Atom Ratio

Energy Technology Data Exchange (ETDEWEB)

Lee, Sang-Han [Korea Research Institute of Standards and Science, Daejeon (Korea, Republic of); Hong, Gi-Hoon; Suk, Moon-Sik [Korea Ocean Research and Development Institute, Seoul (Korea, Republic of); Gastaud, J. [International Atomic Energy Agency, Marine Environment Laboratory (Monaco); La Rosa, J. [National Institute of Standards and Technology, Ionizing Radiation Division, Gaithersburg, Maryland (United States); Kim, Chul-Soo [Environmental Laboratories, International Atomic Energy Agency, Seibersdorf (Austria); Wyse, E. [New Brunswick Laboratory Argonne, IL (United States); Povinec, P. P. [Comenius University, Faculty of Mathematics and Physics, Bratislava (Slovakia)

2013-07-15

{sup 240}Pu/{sup 239}Pu atom ratios in seawater and surface sediment collected from the northwest (NW) Pacific Ocean from 1992 to 1997 were determined using ICP-sector field mass spectrometry (ICP-MS). In whole water columns, the atom ratios of {sup 240}Pu/{sup 239}Pu were higher than the global fallout ratio (0.18). It is noted that the atom ratios of {sup 240}Pu/2{sup 39}Pu in the seawater increase with depth. Such elevated {sup 240}Pu/{sup 239}Pu atom ratios indicate that the close-in fallout plutonium isotopes originating from the Pacific Proving Grounds (PPGs) due to the U.S. tests are prevailing in the seawater in the NW Pacific Ocean. However, the {sup 240}Pu/{sup 239}Pu atom ratios in the surface sediment from the NW Pacific Ocean varied with the sampling locations. As a consequence, this study will provide the information that the water mass along with the current plays a key role in driving the distribution of Pu and in transporting Pu from the PPGs to the far eastern marginal sea in the NW Pacific Ocean. (author)
Chemical reduction of refractory oxides by atomic hydrogen

International Nuclear Information System (INIS)

Dooley, D.; Balooch, M.; Olander, D.R.

1978-11-01

The chemical reduction of UO 2 and Al 2 O 3 by atomic hydrogen was studied. Results of the UO 2 /H investigation indicates that reduction of UO 2 by atomic hydrogen proceeds by the production of water vapor and hypostoichiometric urania. Water vapor and aluminum metal are formed in the Al 2 O 3 /H system. The relative ease which UO 2 is reduced by atomic hydrogen compared with Al 2 O 3 is due to two factors. The first is related to the thermochemistry of the reactions. The second factor which favors efficient reduction of UO 2 but not of Al 2 O 3 is the oxygen diffusivity
Determinants of single family residential water use across scales in four western US cities.

Science.gov (United States)

Chang, Heejun; Bonnette, Matthew Ryan; Stoker, Philip; Crow-Miller, Britt; Wentz, Elizabeth

2017-10-15

A growing body of literature examines urban water sustainability with increasing evidence that locally-based physical and social spatial interactions contribute to water use. These studies however are based on single-city analysis and often fail to consider whether these interactions occur more generally. We examine a multi-city comparison using a common set of spatially-explicit water, socioeconomic, and biophysical data. We investigate the relative importance of variables for explaining the variations of single family residential (SFR) water uses at Census Block Group (CBG) and Census Tract (CT) scales in four representative western US cities - Austin, Phoenix, Portland, and Salt Lake City, - which cover a wide range of climate and development density. We used both ordinary least squares regression and spatial error regression models to identify the influence of spatial dependence on water use patterns. Our results show that older downtown areas show lower water use than newer suburban areas in all four cities. Tax assessed value and building age are the main determinants of SFR water use across the four cities regardless of the scale. Impervious surface area becomes an important variable for summer water use in all cities, and it is important in all seasons for arid environments such as Phoenix. CT level analysis shows better model predictability than CBG analysis. In all cities, seasons, and spatial scales, spatial error regression models better explain the variations of SFR water use. Such a spatially-varying relationship of urban water consumption provides additional evidence for the need to integrate urban land use planning and municipal water planning. Copyright © 2017 Elsevier B.V. All rights reserved.
Measurement of intracellular DNA double-strand break induction and rejoining along the track of carbon and neon particle beams in water

International Nuclear Information System (INIS)

Heilmann, Johannes; Taucher-Scholz, Gisela; Haberer, Thomas; Scholz, Michael; Kraft, Gerhard

1996-01-01

Purpose: The study was aimed at the measurement of effect-depth distributions of intracellularly induced DNA damage in water as tissue equivalent after heavy ion irradiation with therapy particle beams. Methods and Materials: An assay involving embedding of Chinese hamster ovary (CHO-K1) cells in large agarose plugs and electrophoretic elution of radiation induced DNA fragments by constant field gel electrophoresis was developed. Double-strand break production was quantified by densitometric analysis of DNA-fluorescence after staining with ethidium-bromide and determination of the fraction of DNA eluted out of the agarose plugs. Intracellular double-strand break induction and the effect of a 3 h rejoining incubation were investigated following irradiation with 250 kV x-rays and 190 MeV/u carbon- and 295 MeV/u neon-ions. Results and Conclusion: While the DNA damage induced by x-irradiation decreased continuously with penetration depth, a steady increase in the yield of double-strand breaks was observed for particle radiation, reaching distinct maxima at the position of the physical Bragg peaks. Beyond this, the extent of radiation damage dropped drastically. From comparison of DNA damage and calculated dose profiles, relative biological efficiencies (RBEs) for both double-strand break induction and unrejoined strand breaks after 3 h were determined. While RBE for the induction of DNA double-strand breaks decreased continuously with penetration depth, RBE maxima greater than unity were found with carbon- and neon-ions for double-strand break rejoining near the maximum range of the particles. The method presented here allows for a fast and accurate determination of depth profiles of relevant radiobiological effects for mixed particle fields in tissue equivalent
The Large Scale Distribution of Water Ice in the Polar Regions of the Moon

Science.gov (United States)

Jordan, A.; Wilson, J. K.; Schwadron, N.; Spence, H. E.

2017-12-01

For in situ resource utilization, one must know where water ice is on the Moon. Many datasets have revealed both surface deposits of water ice and subsurface deposits of hydrogen near the lunar poles, but it has proved difficult to resolve the differences among the locations of these deposits. Despite these datasets disagreeing on how deposits are distributed on small scales, we show that most of these datasets do agree on the large scale distribution of water ice. We present data from the Cosmic Ray Telescope for the Effects of Radiation (CRaTER) on the Lunar Reconnaissance Orbiter (LRO), LRO's Lunar Exploration Neutron Detector (LEND), the Neutron Spectrometer on Lunar Prospector (LPNS), LRO's Lyman Alpha Mapping Project (LAMP), LRO's Lunar Orbiter Laser Altimeter (LOLA), and Chandrayaan-1's Moon Mineralogy Mapper (M3). All, including those that show clear evidence for water ice, reveal surprisingly similar trends with latitude, suggesting that both surface and subsurface datasets are measuring ice. All show that water ice increases towards the poles, and most demonstrate that its signature appears at about ±70° latitude and increases poleward. This is consistent with simulations of how surface and subsurface cold traps are distributed with latitude. This large scale agreement constrains the origin of the ice, suggesting that an ancient cometary impact (or impacts) created a large scale deposit that has been rendered locally heterogeneous by subsequent impacts. Furthermore, it also shows that water ice may be available down to ±70°—latitudes that are more accessible than the poles for landing.
Using muonium to probe the kinetics of the reaction between the H atom and OH"- in superheated water

International Nuclear Information System (INIS)

Ghandi, K.; Alcorn, C.; Brodovitch, J.-C.; Driedger, E.; Mozafari, M.; Percival, P.W.

2011-01-01

Operation of a supercritical-water-cooled nuclear reactor requires knowledge of water chemistry over a wide range of conditions. The considerable knowledge gap for conditions above the operating temperature of current-generation CANDU reactors is the target of this study. Since the H atom is difficult to probe at the desired temperatures and pressures, muonium is used as an alternative. In the current CANDU reactors, coolant pH is controlled using LiOH. We are studying how the rate constants for the reaction of muonium with LiOH and NaOH change with temperature and pressure. (author)
Scaling-Laws of Flow Entropy with Topological Metrics of Water Distribution Networks

Directory of Open Access Journals (Sweden)

Giovanni Francesco Santonastaso

2018-01-01

Full Text Available Robustness of water distribution networks is related to their connectivity and topological structure, which also affect their reliability. Flow entropy, based on Shannon’s informational entropy, has been proposed as a measure of network redundancy and adopted as a proxy of reliability in optimal network design procedures. In this paper, the scaling properties of flow entropy of water distribution networks with their size and other topological metrics are studied. To such aim, flow entropy, maximum flow entropy, link density and average path length have been evaluated for a set of 22 networks, both real and synthetic, with different size and topology. The obtained results led to identify suitable scaling laws of flow entropy and maximum flow entropy with water distribution network size, in the form of power–laws. The obtained relationships allow comparing the flow entropy of water distribution networks with different size, and provide an easy tool to define the maximum achievable entropy of a specific water distribution network. An example of application of the obtained relationships to the design of a water distribution network is provided, showing how, with a constrained multi-objective optimization procedure, a tradeoff between network cost and robustness is easily identified.
Air–water interface of submerged superhydrophobic surfaces imaged by atomic force microscopy

Directory of Open Access Journals (Sweden)

Markus Moosmann

2017-08-01

Full Text Available Underwater air retention of superhydrophobic hierarchically structured surfaces is of increasing interest for technical applications. Persistent air layers (the Salvinia effect are known from biological species, for example, the floating fern Salvinia or the backswimmer Notonecta. The use of this concept opens up new possibilities for biomimetic technical applications in the fields of drag reduction, antifouling, anticorrosion and under water sensing. Current knowledge regarding the shape of the air–water interface is insufficient, although it plays a crucial role with regards to stability in terms of diffusion and dynamic conditions. Optical methods for imaging the interface have been limited to the micrometer regime. In this work, we utilized a nondynamic and nondestructive atomic force microscopy (AFM method to image the interface of submerged superhydrophobic structures with nanometer resolution. Up to now, only the interfaces of nanobubbles (acting almost like solids have been characterized by AFM at these dimensions. In this study, we show for the first time that it is possible to image the air–water interface of submerged hierarchically structured (micro-pillars surfaces by AFM in contact mode. By scanning with zero resulting force applied, we were able to determine the shape of the interface and thereby the depth of the water penetrating into the underlying structures. This approach is complemented by a second method: the interface was scanned with different applied force loads and the height for zero force was determined by linear regression. These methods open new possibilities for the investigation of air-retaining surfaces, specifically in terms of measuring contact area and in comparing different coatings, and thus will lead to the development of new applications.
Irrigation Water Value at Small-scale Schemes: Evidence from the North West Province, South Africa

NARCIS (Netherlands)

Speelman, S.; Farolfi, S.; Perret, S.; Haese, D' L.; Haese, D' M.

2008-01-01

Insight into the value of water is essential to support policy decision making about investments in the water sector, efficient allocation of water and water pricing. However, information on irrigation water values at small-scale schemes is scarce and in general little attention is paid to the
Large scale sodium-water reaction tests for Monju steam generators

International Nuclear Information System (INIS)

Sato, M.; Hiroi, H.; Hori, M.

1976-01-01

To demonstrate the safe design of the steam generator system of the prototype fast reactor Monju against the postulated large leak sodium-water reaction, a large scale test facility SWAT-3 was constructed. SWAT-3 is a 1/2.5 scale model of the Monju secondary loop on the basis of the iso-velocity modeling. Two tests have been conducted in SWAT-3 since its construction. The test items using SWAT-3 are discussed, and the description of the facility and the test results are presented
Characterization of Leptin Intracellular Trafficking

Directory of Open Access Journals (Sweden)

E Walum

2009-12-01

Full Text Available Leptin is produced by adipose tissue, and its concentration in plasma is related to the amount of fat in the body. The leptin receptor (OBR is a member of the class I cytokine receptor family and several different isoforms, produced by alternative mRNA splicing are found in many tissues, including the hypothalamus. The two predominant isoforms includes a long form (OBRl with an intracellular domain of 303 amino acids and a shorter form (OBRs with an intracellular domain of 34 amino acids. Since OBRl is mainly expressed in the hypotalamus, it has been suggested to be the main signalling form. The peripheral production of leptin by adipocyte tissue and its effects as a signal of satiety in the central nervous system imply that leptin gains access to regions of the brain regulating in energy balance by crossing the blood-brain barrier. In an attempt to characterize the intracellular transport of leptin, we have followed binding internalization and degradation of leptin in HEK293 cells. We have also monitored the intracellular transport pathway of fluorescent conjugated leptin in HEK293 cells. Phenylarsine oxide, a general inhibitor of endocytosis, as well as incubation at mild hypertonic conditions, prevented the uptake of leptin, confirming a receptor-mediated internalization process. When internalized, 125I-leptin was rapidly accumulated inside the cells and reached a maximum after 10 min. After 70 minutes about 40-50% of total counts in each time point were found in the medium as TCA-soluble material. Leptin sorting, at the level of early endosomes, did not seem to involve recycling endosomes, since FITC-leptin was sorted from Cy3- transferrin containing compartments at 37°C. At 45 minutes of continuos internalization, FITC-leptin appeared mainly accumulated in late endocytic structures colocalizing with internalized rhodamine coupled epidermial growth factor (EGF and the lysosomal marker protein lamp-1. The transport of leptin was also shown
Electrothermal atomization laser-excited atomic fluorescence spectroscopy for the determination of indium

International Nuclear Information System (INIS)

Aucelio, R.Q.; Smith, B.W.; Winefordner, J.D.

1998-01-01

A dye laser pumped by a high-repetition-rate copper vapor laser was used as the excitation source to determine indium at parts-per-trillion level by electrothermal atomization laser-excited atomic fluorescence spectrometry (ETA-LEAFS). A comparison was made between wall atomization, in pyrolytic and nonpyrolytic graphite tubes, and platform atomization. The influence of several chemical modifiers either in solution or precoated in the graphite tube was evaluated. The influence of several acids and NaOH in the analyte solution was also studied. Optimization of the analytical conditions was carried out to achieve the best signal-to-background ratio and consequently an absolute limit of detection of 1 fg. Some possible interferents of the method were evaluated. The method was evaluated by determining indium in blood, urine, soil, and urban dust samples. Recoveries between 99.17 and 109.17% are reported. A precision of 4.1% at the 10 ng g -1 level in water standards was achieved. copyright 1998 Society for Applied Spectroscopy
Evaluation of Small-Scale Providers of Water Supply and Sanitation Services in Peru

OpenAIRE

World Bank

2007-01-01

The Water and Sanitation Program (WSP), administered by the World Bank, helps countries find sustainable solutions to ensure efficient delivery of the quality water supply and sanitation services the population demands. The WSP is carrying out a systematic analysis in several countries to identify the role of small-scale providers (SSP) of water and sanitation services to poor populations ...
GRASP92: a package for large-scale relativistic atomic structure calculations

Science.gov (United States)

Parpia, F. A.; Froese Fischer, C.; Grant, I. P.

2006-12-01

Program summaryTitle of program: GRASP92 Catalogue identifier: ADCU_v1_1 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADCU_v1_1 Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: no Programming language used: Fortran Computer: IBM POWERstation 320H Operating system: IBM AIX 3.2.5+ RAM: 64M words No. of lines in distributed program, including test data, etc.: 65 224 No of bytes in distributed program, including test data, etc.: 409 198 Distribution format: tar.gz Catalogue identifier of previous version: ADCU_v1_0 Journal reference of previous version: Comput. Phys. Comm. 94 (1996) 249 Does the new version supersede the previous version?: Yes Nature of problem: Prediction of atomic spectra—atomic energy levels, oscillator strengths, and radiative decay rates—using a 'fully relativistic' approach. Solution method: Atomic orbitals are assumed to be four-component spinor eigenstates of the angular momentum operator, j=l+s, and the parity operator Π=βπ. Configuration state functions (CSFs) are linear combinations of Slater determinants of atomic orbitals, and are simultaneous eigenfunctions of the atomic electronic angular momentum operator, J, and the atomic parity operator, P. Lists of CSFs are either explicitly prescribed by the user or generated from a set of reference CSFs, a set of subshells, and rules for deriving other CSFs from these. Approximate atomic state functions (ASFs) are linear combinations of CSFs. A variational functional may be constructed by combining expressions for the energies of one or more ASFs. Average level (AL) functionals are weighted sums of energies of all possible ASFs that may be constructed from a set of CSFs; the number of ASFs is then the same as the number, n, of CSFs. Optimal level (OL) functionals are weighted sums of energies of some subset of ASFs; the GRASP92 package is optimized for this latter class of functionals. The composition of an ASF in terms
Consequences of atomic layer etching on wafer scale uniformity in inductively coupled plasmas

Science.gov (United States)

Huard, Chad M.; Lanham, Steven J.; Kushner, Mark J.

2018-04-01

Atomic layer etching (ALE) typically divides the etching process into two self-limited reactions. One reaction passivates a single layer of material while the second preferentially removes the passivated layer. As such, under ideal conditions the wafer scale uniformity of ALE should be independent of the uniformity of the reactant fluxes onto the wafers, provided all surface reactions are saturated. The passivation and etch steps should individually asymptotically saturate after a characteristic fluence of reactants has been delivered to each site. In this paper, results from a computational investigation are discussed regarding the uniformity of ALE of Si in Cl2 containing inductively coupled plasmas when the reactant fluxes are both non-uniform and non-ideal. In the parameter space investigated for inductively coupled plasmas, the local etch rate for continuous processing was proportional to the ion flux. When operated with saturated conditions (that is, both ALE steps are allowed to self-terminate), the ALE process is less sensitive to non-uniformities in the incoming ion flux than continuous etching. Operating ALE in a sub-saturation regime resulted in less uniform etching. It was also found that ALE processing with saturated steps requires a larger total ion fluence than continuous etching to achieve the same etch depth. This condition may result in increased resist erosion and/or damage to stopping layers using ALE. While these results demonstrate that ALE provides increased etch depth uniformity, they do not show an improved critical dimension uniformity in all cases. These possible limitations to ALE processing, as well as increased processing time, will be part of the process optimization that includes the benefits of atomic resolution and improved uniformity.
Analysis of environmental issues related to small-scale hydroelectric development. III. Water level fluctuation

Energy Technology Data Exchange (ETDEWEB)

Hildebrand, S.G. (ed.)

1980-10-01

Potential environmental impacts in reservoirs and downstream river reaches below dams that may be caused by the water level fluctuation resulting from development and operation of small scale (under 25MW) hydroelectric projects are identified. The impacts discussed will be of potential concern at only those small-scale hydroelectric projects that are operated in a store and release (peaking) mode. Potential impacts on physical and chemical characteristics in reservoirs resulting from water level fluctuation include resuspension and redistribution of bank and bed sediment; leaching of soluble organic matter from sediment in the littoral zone; and changes in water quality resulting from changes in sediment and nutrient trap efficiency. Potential impacts on reservoir biota as a result of water level fluctuation include habitat destruction and the resulting partial or total loss of aquatic species; changes in habitat quality, which result in reduced standing crop and production of aquatic biota; and possible shifts in species diversity. The potential physical effects of water level fluctuation on downstream systems below dams are streambed and bank erosion and water quality problems related to resuspension and redistribution of these materials. Potential biological impacts of water level fluctuation on downstream systems below dams result from changes in current velocity, habitat reduction, and alteration in food supply. These alterations, either singly or in combination, can adversely affect aquatic populations below dams. The nature and potential significance of adverse impacts resulting from water level fluctuation are discussed. Recommendations for site-specific evaluation of water level fluctuation at small-scale hydroelectric projects are presented.
Stochastic models of intracellular transport

KAUST Repository

Bressloff, Paul C.

2013-01-09

The interior of a living cell is a crowded, heterogenuous, fluctuating environment. Hence, a major challenge in modeling intracellular transport is to analyze stochastic processes within complex environments. Broadly speaking, there are two basic mechanisms for intracellular transport: passive diffusion and motor-driven active transport. Diffusive transport can be formulated in terms of the motion of an overdamped Brownian particle. On the other hand, active transport requires chemical energy, usually in the form of adenosine triphosphate hydrolysis, and can be direction specific, allowing biomolecules to be transported long distances; this is particularly important in neurons due to their complex geometry. In this review a wide range of analytical methods and models of intracellular transport is presented. In the case of diffusive transport, narrow escape problems, diffusion to a small target, confined and single-file diffusion, homogenization theory, and fractional diffusion are considered. In the case of active transport, Brownian ratchets, random walk models, exclusion processes, random intermittent search processes, quasi-steady-state reduction methods, and mean-field approximations are considered. Applications include receptor trafficking, axonal transport, membrane diffusion, nuclear transport, protein-DNA interactions, virus trafficking, and the self-organization of subcellular structures. © 2013 American Physical Society.
Breakdown of the coral-algae symbiosis: towards formalising a linkage between warm-water bleaching thresholds and the growth rate of the intracellular zooxanthellae

Directory of Open Access Journals (Sweden)

S. A. Wooldridge

2013-03-01

Full Text Available Impairment of the photosynthetic machinery of the algal endosymbiont ("zooxanthellae" is the proximal driver of the thermal breakdown of the coral-algae symbiosis ("coral bleaching". Yet, the initial site of damage, and early dynamics of the impairment are still not well resolved. In this perspective essay, I consider further a recent hypothesis which proposes an energetic disruption to the carbon-concentrating mechanisms (CCMs of the coral host, and the resultant onset of CO2-limitation within the photosynthetic "dark reactions" as a unifying cellular mechanism. The hypothesis identifies the enhanced retention of photosynthetic carbon for zooxanthellae (regrowth following an initial irradiance-driven expulsion event as a strong contributing cause of the energetic disruption. If true, then it implies that the onset of the bleaching syndrome and setting of upper thermal bleaching limits are emergent attributes of the coral symbiosis that are ultimately underpinned by the characteristic growth profile of the intracellular zooxanthellae; which is known to depend not just on temperature, but also external (seawater nutrient availability and zooxanthellae genotype. Here, I review this proposed bleaching linkage at a variety of observational scales, and find it to be parsimonious with the available evidence. Future experiments are suggested that can more formally test the linkage. If correct, the new cellular model delivers a valuable new perspective to consider the future prospects of the coral symbiosis in an era of rapid environmental change, including: (i the underpinning mechanics (and biological significance of observed changes in resident zooxanthellae genotypes, and (ii the now crucial importance of reef water quality in co-determining thermal bleaching resistance.
Scale-dependence of land use effects on water quality of streams in agricultural catchments

International Nuclear Information System (INIS)

Buck, Oliver; Niyogi, Dev K.; Townsend, Colin R.

2004-01-01

The influence of land use on water quality in streams is scale-dependent and varies in time and space. In this study, land cover patterns and stocking rates were used as measures of agricultural development in two pasture and one native grassland catchment in New Zealand and were related to water quality in streams of various orders. The amount of pasture per subcatchment correlated well to total nitrogen and nitrate in one catchment and turbidity and total phosphorous in the other catchment. Stocking rates were only correlated to total phosphorous in one pasture catchment but showed stronger correlations to ammonium, total phosphorous and total nitrogen in the other pasture catchment. Winter and spring floods were significant sources of nutrients and faecal coliforms from one of the pasture catchments into a wetland complex. Nutrient and faecal coliform concentrations were better predicted by pastural land cover in fourth-order than in second-order streams. This suggests that upstream land use is more influential in larger streams, while local land use and other factors may be more important in smaller streams. These temporal and spatial scale effects indicate that water-monitoring schemes need to be scale-sensitive. - Land use influences water quality of streams at various spatial scales

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