Source apportionment of aerosol particles at a European air pollution hot spot using particle number size distributions and chemical composition.

Science.gov (United States)

Leoni, Cecilia; Pokorná, Petra; Hovorka, Jan; Masiol, Mauro; Topinka, Jan; Zhao, Yongjing; Křůmal, Kamil; Cliff, Steven; Mikuška, Pavel; Hopke, Philip K

2018-03-01

Ostrava in the Moravian-Silesian region (Czech Republic) is a European air pollution hot spot for airborne particulate matter (PM), polycyclic aromatic hydrocarbons (PAHs), and ultrafine particles (UFPs). Air pollution source apportionment is essential for implementation of successful abatement strategies. UFPs or nanoparticles of diameter hot-spot including nanoparticles, Positive Matrix Factorization (PMF) was applied to highly time resolved particle number size distributions (NSD, 14 nm-10 μm) and PM 0.09-1.15 chemical composition. Diurnal patterns, meteorological variables, gaseous pollutants, organic markers, and associations between the NSD factors and chemical composition factors were used to identify the pollution sources. The PMF on the NSD reveals two factors in the ultrafine size range: industrial UFPs (28%, number mode diameter - NMD 45 nm), industrial/fresh road traffic nanoparticles (26%, NMD 26 nm); three factors in the accumulation size range: urban background (24%, NMD 93 nm), coal burning (14%, volume mode diameter - VMD 0.5 μm), regional pollution (3%, VMD 0.8 μm) and one factor in the coarse size range: industrial coarse particles/road dust (2%, VMD 5 μm). The PMF analysis of PM 0.09-1.15 revealed four factors: SIA/CC/BB (52%), road dust (18%), sinter/steel (16%), iron production (16%). The factors in the ultrafine size range resolved with NSD have a positive correlation with sinter/steel production and iron production factors resolved with chemical composition. Coal combustion factor resolved with NSD has moderate correlation with SIA/CC/BB factor. The organic markers homohopanes correlate with coal combustion and the levoglucosan correlates with urban background. The PMF applications to NSD and chemical composition datasets are complementary. PAHs in PM 1 were found to be associated with coal combustion factor. Copyright © 2017 Elsevier Ltd. All rights reserved.

Computer simulation of cooling properties of UF5 hot-clusters in argon

International Nuclear Information System (INIS)

Okamoto, Tsuyoshi; Ohno, Fubito

1999-01-01

Brownian collision-coalescence models have been proposed by many researchers to describe a cluster or a particle growth process. In these mathematical models, the effect of a cluster temperature on a sticking probability is not included, although the cluster temperature is one of the most important factors which determines the particle growth rate at the incipient stage of coagulation. A hot-cluster consisting of 30 UF 5 molecules is formed in a computer and is bombarded with argon atoms. Measuring a kinetic energy of argon atom scattered from the hot-cluster, the cluster temperature can be estimated by molecular dynamics simulations. It is concluded that the hot-cluster is rapidly cooled under the conditions of molecular laser isotope separation (MLIS) process, so that the cluster-argon system can reach its thermal equilibrium state. Therefore, in the analysis of the dynamics of clustering process, the temperature of UF 5 molecular cluster may be set equal to that of argon gas. (author)

Chemically assisted release of transition metals in graphite vaporizers for atomic spectrometry

International Nuclear Information System (INIS)

Katskov, Dmitri; Darangwa, Nicholas; Grotti, Marco

2006-01-01

The processes associated with the vaporization of microgram samples and modifiers in a graphite tube ET AAS were investigated by the example of transition metals. The vapor absorption spectra and vaporization behavior of μg-amounts Cd, Zn, Cu, Ag, Au, Ni, Co, Fe, Mn and Cr were studied using the UV spectrometer with CCD detector, coupled with a continuum radiation source. The pyrocoated, Ta or W lined tubes, with Ar or He as internal gases, and filter furnace were employed in the comparative experiments. It was found that the kinetics of atomic vapor release changed depending on the specific metal-substrate-gas combination; fast vaporization at the beginning was followed by slower 'tailing.' The absorption continuum, overlapped by black body radiation at longer wavelengths, accompanied the fast vaporization mode for all metals, except Cd and Zn. The highest intensity of the continuum was observed in the pyrocoated tube with Ar. For Cu and Ag the molecular bands overlapped the absorption continuum; the continuum and bands were suppressed in the filter furnace. It is concluded that the exothermal interaction of sample vapor with the material of the tube causes the energy evolution in the gas phase. The emitted heat is dispersed near the tube wall in the protective gas and partially transferred back to the surface of the sample, thus facilitating the vaporization. The increased vapor flow causes over-saturation and gas-phase condensation in the absorption volume at some distance from the wall, where the gas temperature is not affected by the reaction. The condensation is accompanied by the release of phase transition energy via black body radiation and atomic emission. The particles of condensate and molecular clusters cause the scattering of light and molecular absorption; slow decomposition of the products of the sample vapor-substrate reaction produces the 'tailing' of atomic absorption signal. The interaction of graphite with metal vapor or oxygen, formed in the

The Hot ISM of Normal Galaxies

Science.gov (United States)

Fabbiano, Giuseppina

1999-01-01

X-ray observations of galaxies have shown the presence of hot ISM and gaseous halos. The most spectacular examples am in early-type galaxies (E and S0), and in galaxies hosting intense starforming regions. This talk will review the observational evidence and highlight the outstanding issues in our understanding of this gaseous component, with emphasis on our present understanding of the chemical composition of these hot halos. It will address how Chandra, XMM, and future X-ray missions can address these studies.

Chemical modifiers in electrothermal atomic absorption determination of Platinum and Palladium containing preparations in blood serum

Directory of Open Access Journals (Sweden)

Аntonina Alemasova

2012-11-01

Full Text Available The biological liquids matrixes influence on the characteristic masses and repeatability of Pt and Pd electrothermal atomic absorption spectroscopy (ETAAS determination was studied. The chemical modifiers dimethylglyoxime and ascorbic acid for matrix interferences elimination and ETAAS results repeatability improvement were proposed while bioliquids ETAAS analysis, and their action mechanism was discussed.

The application of atomic absorption spectrometry to chemical analysis

International Nuclear Information System (INIS)

Walsh, A.

1980-01-01

YhThe history of the development of atomic absorption methods of elemental analysis is outlined. The theoretical basis of atomic absorption methods is discussed and the principle of modern methods of atomic absorption measurements is described. The advantages, scope and limations of these methods are discussed. Related methods based on the measurement of atomic fluorescence are also described

Atomic bonding between metal and graphene

KAUST Repository

Wang, Hongtao

2013-03-07

To understand structural and chemical properties of metal-graphene composites, it is crucial to unveil the chemical bonding along the interface. We provide direct experimental evidence of atomic bonding between typical metal nano structures and graphene, agreeing well with density functional theory studies. Single Cr atoms are located in the valleys of a zigzag edge, and few-atom ensembles preferentially form atomic chains by self-assembly. Low migration barriers lead to rich dynamics of metal atoms and clusters under electron irradiation. We demonstrate no electron-instigated interaction between Cr clusters and pristine graphene, though Cr has been reported to be highly reactive to graphene. The metal-mediated etching is a dynamic effect between metal clusters and pre-existing defects. The resolved atomic configurations of typical nano metal structures on graphene offer insight into modeling and simulations on properties of metal-decorated graphene for both catalysis and future carbon-based electronics. © 2013 American Chemical Society.

Chemical Effects of Nuclear Transformations Vol. I. Proceedings of the Symposium on Chemical Effects Associated with Nuclear Reactions and Radioactive Transformations

International Nuclear Information System (INIS)

1965-01-01

The study of the chemical changes consequent upon the nuclear transformation of an atom that is linked with other atoms in a molecule and surrounded by other similar or dissimilar molecules has intrigued chemists for a number of years. This interest is certainly not static but if anything is increasing. The main theme of this meeting was a discussion of the suggestions and theories that have been advanced to explain the wealth of experimental observations on the behaviour of atoms at energies and in situations not normally accessible in the laboratory. Though the subject has some practical implications in the preparation of radioisotopes, this was not an important consideration at this Symposium. The first Symposium on hot-atom chemistry organized by the Agency was held in Prague in October 1960. Comparison of the past and the present state of the subject shows that a greater variety and sophistication of techniques are now being applied as the simpler approaches used in the past have been shown to be inadequate. Progress has been made in the understanding of the simpler gas system, but in liquids and solids there is still much to clarify. It is also of interest that for the majority of the work reported in these Proceedings a reactor was the radiation source, and in this field much experimental work still remains to be done. The Symposium on Chemical Effects Associated with Nuclear Reactions and Radioactive Transformations was held from 7 to 11 December 1964 in Vienna, and was attended by 136 participants from 29 countries and 4 international organizations. It was organized by the International Atomic Energy Agency in co-operation with the Joint Commission on Applied Radioactivity. The publication of these Proceedings makes the content of the papers and discussion available to a wider audience than was possible at the meeting in Vienna

Surface-Plasmon-Driven Hot Electron Photochemistry.

Science.gov (United States)

Zhang, Yuchao; He, Shuai; Guo, Wenxiao; Hu, Yue; Huang, Jiawei; Mulcahy, Justin R; Wei, Wei David

2017-11-30

Visible-light-driven photochemistry has continued to attract heightened interest due to its capacity to efficiently harvest solar energy and its potential to solve the global energy crisis. Plasmonic nanostructures boast broadly tunable optical properties coupled with catalytically active surfaces that offer a unique opportunity for solar photochemistry. Resonant optical excitation of surface plasmons produces energetic hot electrons that can be collected to facilitate chemical reactions. This review sums up recent theoretical and experimental approaches for understanding the underlying photophysical processes in hot electron generation and discusses various electron-transfer models on both plasmonic metal nanostructures and plasmonic metal/semiconductor heterostructures. Following that are highlights of recent examples of plasmon-driven hot electron photochemical reactions within the context of both cases. The review concludes with a discussion about the remaining challenges in the field and future opportunities for addressing the low reaction efficiencies in hot-electron-induced photochemistry.

Construction of concrete hot cells

International Nuclear Information System (INIS)

1981-12-01

The standard is to be applied to rooms (hot cells) which are enclosed by a concrete shield and in which radioactive material is handled by remote control. The rooms may be in facilities for experimental purposes (e.g. development of fuel elements and materials or of chemical processes) or in facilities for production purposes (e.g. reprocessing of nuclear fuel or treatment of radioactive wastes). The standard is to give a design hasis for concrete hot cells and their installations which is to be applied by designers, constructors, future users and competent authorities as well as independent experts. (orig.) [de

Construction of concrete hot cells

International Nuclear Information System (INIS)

1980-09-01

The standard is to be applied to rooms (hot cells) which are enclosed by a concrete shield and in which radioactive material is handled by remote control. The rooms may be in facilities for experimental purposes (e.g. development of fuel elements and materials or of chemical processes) or in facilities for production purposes (e.g. reprocessing of nuclear fuel or treatment of radioactive wastes). The standard is to give a design basis for concrete hot cells and their installations which is to be applied by designers, constructors, future users and competent authorities as well as independent experts. (orig.) [de

Isotopic and chemical features of hot springs in Akita Prefecture

International Nuclear Information System (INIS)

Matsubaya, Osamu

1997-01-01

All over the Akita Prefecture, many hot springs are located. Most of them are of meteoric water, fossil sea water and volcanic gas origins. In the Ohdate-Kazuno area, moderate temperature hot springs of meteoric water origin are found, which may exist as rather shallow formation water in the Green Tuff formations. On the contrary, high temperature geothermal waters of meteoric origin, which are used for power generation, are obtained in two volcanic area of Hachimantai and Oyasu. Those geothermal waters are expected to come up through vertical fissures from depth deeper than 2 km. The difference of these two manners of meteoric water circulation should be necessarily explained to understand the relationship of shallow and deep geothermal systems. About some hot springs of fossil sea water origin, the relationships of δ D and Cl - don't agree to the mixing relation of sea water and meteoric water. This may be explained by two different processes, one of which is mixing of sea water with saline meteoric water (Cl - ca. 12 g/kg). The other is modification of δD by hydrogen isotopic exchange with hydrous minerals underground, or by exchange with atmospheric vapor during a relic lake before burying. (author)

Work on the hot atom chemistry at the Institute of Nuclear Sciences Boris Kidric, Vinca, Yugoslavia; Hemija vruceg atoma

Energy Technology Data Exchange (ETDEWEB)

Veljkovic, S [Institute of Nuclear Sciences Boris Kidric, Vinca, Beograd (Serbia and Montenegro)

1969-07-01

A survey of work on hot atom chemistry from the establishment of the Institute up to now, where the role of Prof. P. Savic, should be specially emphasized, is given. The investigations in this domain during the first period, were directed to solve various problems in production of radioactive isotopes. Today these investigations are closely associated with the work in radiochemistry, physical chemistry of liquid and solid systems and fast reaction kinetics improving the development of these branches (author) [Serbo-Croat] Daje se pregled rada na hemiji vruceg atoma od osnivanja Instituta do danas, pri cemu se narocito istice uloga koju je u tome imao prof. P. Savic. Dok su u prvom periodu istrazivanja u ovoj oblasti doprinosila resavanju raznih problema proizvodnje radioaktivnih izotopa, ona su danas tesno povezana sa radom u radiohemiji, fizickoj hemiji tecnih i cvrstih sistema, kinetici brzih reakcija, doprinoseci sa svoje strane razvoju tih oblasti (author)

Stellar by Day, Planetary by Night: Atmospheres of Ultra-Hot Jupiters

Science.gov (United States)

Hensley, Kerry

2018-06-01

Move over, hot Jupiters theres an even stranger kind of giant planet in the universe! Ultra-hot Jupiters are so strongly irradiated that the molecules in their atmospheres split apart. What does this mean for heat transport on these planets?Atmospheres of Exotic PlanetsA diagram showing the orbit of an ultra-hot Jupiter and the longitudes at which dissociation and recombination occur. [Bell Cowan 2018]Similar to hot Jupiters, ultra-hot Jupiters are gas giants with atmospheres dominated by molecular hydrogen. What makes them interesting is that their dayside atmospheres are so hot that the molecules dissociate into individual hydrogen atoms more like the atmospheres of stars than planets.Because of the intense stellar irradiation, there is also an extreme temperature difference between the day and night sides of these planets potentially more than 1,000 K! As the stellar irradiation increases, the dayside atmosphere becomes hotter and hotter and the temperature difference between the day and night sides increases.When hot atomic hydrogen is transported into cooler regions (by winds, for instance), it recombines to form H2 molecules and heats the gas, effectively transporting heat from one location to another. This is similar to how the condensation of water redistributes heat in Earths atmosphere but what effect does this phenomenon have on the atmospheres of ultra-hot Jupiters?Maps of atmospheric temperature of molecular hydrogen dissociation fraction for three wind speeds. Click to enlarge. [Bell Cowan 2018]Modeling Heat RedistributionTaylor Bell and Nicolas Cowan (McGill University) used an energy-balance model to estimate the effects of H2 dissociation and recombination on heat transport in ultra-hot Jupiter atmospheres. In particular, they explored the redistribution of heat and how it affects the resultant phase curve the curve that describes the combination of reflected and thermally emitted light from the planet, observed as a function of its phase angle

Reaction of hydrogen atoms with acrylaldehyde

International Nuclear Information System (INIS)

Koda, Seiichiro; Nakamura, Kazumoto; Hoshino, Takashi; Hikita, Tsutomu

1978-01-01

The reaction of hydrogen atoms with acrylaldehyde was investigated in a fast flow reactor equipped with a time-of-flight type mass spectrometer under reduced pressure. Main reaction products were carbon monoxide, ethylene, ethane, methane, and propanal. Consideration of the distributions of the reaction products under various reaction conditions showed that hydrogen atoms attacked the C=C double bond, especially its inner carbon side under reduced pressure. Resulting hot radicals caused subsequent reactions. The relative value of the apparent bimolecular rate constant of the reaction against that of trans-2-butene with hydrogen atoms was 1.6+-0.2, which supported the above-mentioned initial reaction. (auth.)

Exotic atoms

International Nuclear Information System (INIS)

Horvath, D.; Lambrecht, R.M.

1984-01-01

This bibliography on exotic atoms covers the years 1939 till 1982. The annual entries are headed by an introduction describing the state of affairs of the branch of science and listing the main applications in quantum electrodynamics, particle physics, nuclear physics, atomic physics, chemical physics and biological sciences. The bibliography includes an author index and a subject index. (Auth.)

Reactions of Hot Tritium Atoms with Amino Acids; Reactions entre Atomes Chauds de Tritium et Acides Amines; Reaktsii goryachikh atomov tritiya s aminokislotami; Reacciones de Atomos de Tritio Calientes con Aminoacidos

Energy Technology Data Exchange (ETDEWEB)

Simonov, E. F.; Nesmejanov, An. N. [Moskovskij Gosudarstvennyj Universitet, Moskva, SSSR (Russian Federation)

1965-04-15

In the existing literature there is a lack of systematic data on the interaction of tritium recoil atoms with amino acids, yet such data, in conjunction with results already obtained for organic acids and amines, could help in determining the mechanism of hot reactions in relation to the structure of compounds (chain length, functional substitutes). A study was made of the yields from the reaction of hot tritium atoms: (1) with amino acids having lengthened chains, and (2) with amino acids having a carbon chain of constant length, but with various functional substitutes. For this purpose mixtures of lithium carbonate and the acids under study were irradiated for 15 min with a slow neutron flux of 0.87 x 10{sup 13} cm{sup 2}/s. Analysis was carried out on a gas chromatography unit with interchangeable columns (molecular sieves, and liquid petrolatum on kieselguhr) and with paper chromatography. Although the data obtained for the radiation survival capacity of amino acids as a function of carbon chain length were at variance with a basic tenet of radiation chemistry according to which the conservation of molecules increases in proportion to the length of their chains, the data can be explained in terms of an intramolecular transfer of energy along the carbon chain from the collision site of the hot atom to the hydroxyl group, and subsequent ''de-excitation''; on the other hand, although the energy, of tritium recoil atoms is greater than that of the chemical bond, the latter nevertheless exerts an influence on the radiation conservation of molecules with a carbon chain of constant length but with various substitutes. (author) [French] Les etudes publiees jusqu'a present ne contiennent guere de renseignements systematiques sur les interactions entre atomes de tritium de recul et acides amines. Pourtant, ces donnees, completees par celles dont on dispose sur les acides organiques et les amines, pourraient aider a definir le mecanisme des reactions chaudes en fonction

Dielectric functions, chemical and atomic compositions of the near surface layers of implanted GaAs by In+ ions

Science.gov (United States)

Kulik, M.; Kołodyńska, D.; Bayramov, A.; Drozdziel, A.; Olejniczak, A.; Żuk, J.

2018-06-01

The surfaces of (100) GaAs were irradiated with In+ ions. The implanted samples were isobaric annealed at 800 °C and then of dielectric function, the surface atomic concentrations of atoms and also the chemical composition of the near surface layers in these implanted semiconductor samples were obtained. The following investigation methods were used: spectroscopic ellipsometry (SE), Rutherford backscattering spectrometry analyses (RBSA) and X-ray photoelectron spectroscopy (XPS) in the study of the above mentioned quantities, respectively. The change of the shape spectra of the dielectric functions at about 3.0 eV phonon energy, diffusion of In+ ions as well as chemical composition changes were observed after ion implantation and the thermal treatment. Due to displacement of Ga ions from GaAs by the In+ ions the new chemical compound InAs was formed. The relative amounts Ga2O3 and As2O3 ratio increase in the native oxide layers with the fluences increase after the thermal treatment of the samples. Additionally, it was noticed that the quantities of InO2 increase with the increasing values of the irradiated ions before thermal treatment.

Atomic force microscopy of histological sections using a chemical etching method

International Nuclear Information System (INIS)

Tiribilli, B.; Bani, D.; Quercioli, F.; Ghirelli, A.; Vassalli, M.

2005-01-01

Physiology and pathology have a big deal on tissue morphology, and the intrinsic spatial resolution of an atomic force microscope (AFM) is able to observe ultrastructural details. In order to investigate cellular and subcellular structures in histological sections with the AFM, we used a new simple method for sample preparation, i.e. chemical etching of semithin sections from epoxy resin-embedded specimens: such treatment appears to melt the upper layers of the embedding resin; thus, removing the superficial roughness caused by the edge of the microtome knife and bringing into high relief the biological structures hidden in the bulk. Consecutive ultrathin sections embedded in epoxy resin were observed with a transmission electron microscope (TEM) to compare the different imaging properties on the same specimen sample. In this paper we report, as an example, our AFM and TEM images of two different tissue specimens, rat pancreas and skeletal muscle fibres, showing that most of the inner details are visible with the AFM. These results suggest that chemical etching of histological sections may be a simple, fast and cost-effective method for AFM imaging with ultrastructural resolution

Hot pressing effect on (Bi 0.25 Sb 0.75 ) 2 Te 3 mechanical and ...

Indian Academy of Sciences (India)

Hot pressing effect on (Bi0.25Sb0.75)2Te3 mechanical and thermoelectric properties ... The crystal of this compound was prepared, pulverized in a particle size ratio of 64% ... microscopy and, for only once successful attempt, atomic force microscopy. The acquired images ensured to show homogeneous structures for hot ...

Remote Robotic Cleaning System for Contaminated Hot-Cell Floor

International Nuclear Information System (INIS)

Kim, Ki Ho; Park, Jang Jin; Yang, Myung S.; Kwon, Hyo Kjo

2005-01-01

The M6 hot-cell of the Irradiated Material Examination Facility at the Korea Atomic Energy Research Institute (KAERI) has been contaminated with spent fuel debris and other radioactive waste due to the DUPIC nuclear fuel development processes. As the hot-cell is active, direct human workers' access, even with protection, to the in-cell is not possible because of the nature of the high radiation level of the spent PWR fuel. A remote robotic cleaning system has been developed for use in a highly radioactive environment of the M6 hot-cell. The remote robotic cleaning system was designed to completely eliminate human interaction with hazardous radioactive contaminants. This robotic cleaning system was also designed to remove contaminants or contaminated smears placed or fixed on the floor of the M6 hot-cell by mopping it in a remote manner. The environmental, functional and mechanical design considerations, control system and capabilities of the developed remote robotic cleaning system are presented

Energy level broadening effect on the equation of state of hot dense Al and Au plasma

International Nuclear Information System (INIS)

Hou Yong; Jin Fengtao; Yuan Jianmin

2007-01-01

In the hot dense matter regime, the isothermal equation of state (EOS) of Al and Au is calculated using an average-atom (AA) model in which the broadening of energy levels of atoms and ions are accounted for by using with a Gaussian distribution of the density of states. The distribution of bound electrons in the energy bands is determined by the continuum Fermi-Dirac distribution. With a self-consistent field average atoms scheme, it is shown that the energy-level broadening has a significant effect on the isothermal equation of state (EOS) of Al and Au in the hot dense matter regime. The jumps in the equation of state (EOS) induced by pressure ionization of the one-electron orbital with the increase in density, which often occur in the normal average-atom model and have been avoided by generally introducing the pseudo-shape resonance states, disappear naturally

Determination of cobalt in human liver by atomic absorption spectrometry with electrothermal atomization

International Nuclear Information System (INIS)

Caldas, E.D.; Gine-Rosias, M.F.; Dorea, J.G.

1991-01-01

A detailed study of the use of electrothermal atomic absorption spectrometry for the determination of cobalt in human liver is described. Comparisons of sample digestion using nitric acid or nitric acid plus perchloric acid, atomization procedures and the application of palladium and magnesium nitrate chemical modifiers were studied using NBS SRM 1577a Bovine Liver. The best results were achieved with sample decomposition in nitric acid, atomization from the tube wall and no chemical modifier. Cobalt was determined in 90 samples of livers from foetuses and deceased newborns using the standard addition method with an average recovery of 99.8%. (author). 30 refs.; 4 figs.; 2 tabs

Big Atoms for Small Children: Building Atomic Models from Common Materials to Better Visualize and Conceptualize Atomic Structure

Science.gov (United States)

Cipolla, Laura; Ferrari, Lia A.

2016-01-01

A hands-on approach to introduce the chemical elements and the atomic structure to elementary/middle school students is described. The proposed classroom activity presents Bohr models of atoms using common and inexpensive materials, such as nested plastic balls, colored modeling clay, and small-sized pasta (or small plastic beads).

Atom interferometry with trapped Bose-Einstein condensates: impact of atom-atom interactions

International Nuclear Information System (INIS)

Grond, Julian; Hohenester, Ulrich; Mazets, Igor; Schmiedmayer, Joerg

2010-01-01

Interferometry with ultracold atoms promises the possibility of ultraprecise and ultrasensitive measurements in many fields of physics, and is the basis of our most precise atomic clocks. Key to a high sensitivity is the possibility to achieve long measurement times and precise readout. Ultracold atoms can be precisely manipulated at the quantum level and can be held for very long times in traps; they would therefore be an ideal setting for interferometry. In this paper, we discuss how the nonlinearities from atom-atom interactions, on the one hand, allow us to efficiently produce squeezed states for enhanced readout and, on the other hand, result in phase diffusion that limits the phase accumulation time. We find that low-dimensional geometries are favorable, with two-dimensional (2D) settings giving the smallest contribution of phase diffusion caused by atom-atom interactions. Even for time sequences generated by optimal control, the achievable minimal detectable interaction energy ΔE min is of the order of 10 -4 μ, where μ is the chemical potential of the Bose-Einstein condensate (BEC) in the trap. From these we have to conclude that for more precise measurements with atom interferometers, more sophisticated strategies, or turning off the interaction-induced dephasing during the phase accumulation stage, will be necessary.

Chemical hot gas purification for biomass gasification processes; Chemische Heissgasreinigung bei Biomassevergasungsprozessen

Energy Technology Data Exchange (ETDEWEB)

Stemmler, Michael

2010-07-01

The German government decided to increase the percentage of renewable energy up to 20 % of all energy consumed in 2020. The development of biomass gasification technology is advanced compared to most of the other technologies for producing renewable energy. So the overall efficiency of biomass gasification processes (IGCC) already increased to values above 50 %. Therefore, the production of renewable energy attaches great importance to the thermochemical biomass conversion. The feedstock for biomass gasification covers biomasses such as wood, straw and further energy plants. The detrimental trace elements released during gasification of these biomasses, e.g. KCl, H{sub 2}S and HCl, cause corrosion and harm downstream devices. Therefore, gas cleaning poses an especial challenge. In order to improve the overall efficiency this thesis aims at the development of gas cleaning concepts for the allothermic, water blown gasification at 800 C and 1 bar (Guessing-Process) as well as for the autothermic, water and oxygen blown gasification at 950 C and 18 bar (Vaernamo-Process). Although several mechanisms for KCl- and H{sub 2}S-sorption are already well known, the achievable reduction of the contamination concentration is still unknown. Therefore, calculations on the produced syngas and the chemical hot gas cleaning were done with a thermodynamic process model using SimuSage. The syngas production was included in the calculations because the knowledge of the biomass syngas composition is very limited. The results of these calculations prove the dependence of syngas composition on H{sub 2}/C-ratio and ROC (Relative Oxygen Content). Following the achievable sorption limits were detected via experiments. The KCl containing syngases were analysed by molecular beam mass spectrometry (MBMS). Furthermore, an optimised H{sub 2}S-sorbent was developed because the examined sorbents exceeded the sorption limit of 1 ppmv. The calculated sorption limits were compared to the limits

Net sputtering rate due to hot ions in a Ne-Xe discharge gas bombarding an MgO layer

International Nuclear Information System (INIS)

Ho, S.; Tamakoshi, T.; Ikeda, M.; Mikami, Y.; Suzuki, K.

2011-01-01

An analytical method is developed for determining net sputtering rate for an MgO layer under hot ions with low energy ( h i , above a threshold energy of sputtering, E th,i , multiplied by a yield coefficient. The threshold energy of sputtering is determined from dissociation energy required to remove an atom from MgO surface multiplied by an energy-transfer coefficient. The re-deposition rate of the sputtered atoms is calculated by a diffusion simulation using a hybridized probabilistic and analytical method. These calculation methods are combined to analyze the net sputtering rate. Maximum net sputtering rate due to the hot neon ions increases above the partial pressure of 4% xenon as E h Ne becomes higher and decreases near the partial pressure of 20% xenon as ion flux of neon decreases. The dependence due to the hot neon ions on partial pressure and applied voltage agrees well with experimental results, but the dependence due to the hot xenon ions deviates considerably. This result shows that the net sputtering rate is dominated by the hot neon ions. Maximum E h Ne (E h Ne,max = 5.3 - 10.3 eV) is lower than E th,Ne (19.5 eV) for the MgO layer; therefore, weak sputtering due to the hot neon ions takes place. One hot neon ion sputters each magnesium and each oxygen atom on the surface and distorts around a vacancy. The ratio of the maximum net sputtering rate is approximately determined by number of the ions at E h i,max multiplied by an exponential factor of -E th,i /E h i,max .

Structural and photoluminescence investigation on the hot-wire assisted plasma enhanced chemical vapor deposition growth silicon nanowires

International Nuclear Information System (INIS)

Chong, Su Kong; Goh, Boon Tong; Wong, Yuen-Yee; Nguyen, Hong-Quan; Do, Hien; Ahmad, Ishaq; Aspanut, Zarina; Muhamad, Muhamad Rasat; Dee, Chang Fu; Rahman, Saadah Abdul

2012-01-01

High density of silicon nanowires (SiNWs) were synthesized by a hot-wire assisted plasma enhanced chemical vapor deposition technique. The structural and optical properties of the as-grown SiNWs prepared at different rf power of 40 and 80 W were analyzed in this study. The SiNWs prepared at rf power of 40 W exhibited highly crystalline structure with a high crystal volume fraction, X C of ∼82% and are surrounded by a thin layer of SiO x . The NWs show high absorption in the high energy region (E>1.8 eV) and strong photoluminescence at 1.73 to 2.05 eV (red–orange region) with a weak shoulder at 1.65 to 1.73 eV (near IR region). An increase in rf power to 80 W reduced the X C to ∼65% and led to the formation of nanocrystalline Si structures with a crystallite size of <4 nm within the SiNWs. These NWs are covered by a mixture of uncatalyzed amorphous Si layer. The SiNWs prepared at 80 W exhibited a high optical absorption ability above 99% in the broadband range between 220 and ∼1500 nm and red emission between 1.65 and 1.95 eV. The interesting light absorption and photoluminescence properties from both SiNWs are discussed in the text. - Highlights: ► Growth of random oriented silicon nanowires using hot-wire assisted plasma enhanced chemical vapor deposition. ► Increase in rf power reduces the crystallinity of silicon nanowires. ► High density and nanocrystalline structure in silicon nanowires significant enhance the near IR light absorption. ► Oxide defects and silicon nanocrystallites in silicon nanowires reveal photoluminescence in red–orange and red regions.

Atomic collisions under extreme conditions in space

International Nuclear Information System (INIS)

Itikawa, Yukikazu

1987-01-01

In space, atoms and molecules are often placed under the extreme conditions which are very difficult to be realized on Earth. For instance, extremely hot and dense plasmas are found in and around various stellar objects (e.g., neutron stars) on one hand and extremely cold and diffuse gases prevail in interstellar space on the other. There is so strong a magnetic field that electron clouds in atoms and molecules are distorted. The study of atomic collisions under the extreme conditions is not only helpful in understanding the astrophysical environment but also reveals new aspects of the physics of atoms and molecules. This paper is an invitation to the study. (References are not exhaustive but only provide a clue with which more details can be found.) (author)

Atomic-scale features of phase boundaries in hot deformed Nd–Fe–Co–B–Ga magnets infiltrated with a Nd–Cu eutectic liquid

International Nuclear Information System (INIS)

Woodcock, T.G.; Ramasse, Q.M.; Hrkac, G.; Shoji, T.; Yano, M.; Kato, A.; Gutfleisch, O.

2014-01-01

Hot deformed Nd–Fe–Co–B–Ga magnets were infiltrated with a Nd–Cu eutectic liquid, resulting in a 71% increase in coercivity to μ 0 H c = 2.4 T without the use of Dy, and a 22% decrease in remanence, attributed to the dilution effect. Aberration-corrected scanning transmission electron microscopy and electron energy loss spectroscopy have been used to reveal the structure and chemical composition of phase boundaries in the magnets on the atomic scale. The results showed that the Nd–Cu liquid penetrated the ≈1 nm thick intergranular regions. The coercivity increase following infiltration was therefore attributed to improved volume fraction and distribution of the intergranular phases. Co enrichment in the outermost 1–2 unit cells at several {0 0 1} and {1 1 0} surfaces of the Nd 2 (Fe, Co) 14 B crystals was shown for the infiltrated sample. The as-deformed sample did not appear to show this Co enrichment. Molecular dynamics simulations indicated that the distorted layer at an {0 0 1} surface of a Nd 2 (Fe, Co) 14 B grain was significantly thicker with higher Co surface enrichment. The magnetocrystalline anisotropy may be reduced in such distorted regions, which could have a detrimental effect on coercivity. Such features may therefore play a role in limiting coercivity to a fraction of the anisotropy field. Interfacial segregation of Cu between Nd 2 (Fe, Co) 14 B and the Nd-rich intergranular phase occurred in the infiltrated sample. Step defects in Nd 2 (Fe, Co) 14 B {0 0 1} surfaces, a half or a whole unit cell in height, were also observed

Dual-mode operation of 2D material-base hot electron transistors

KAUST Repository

Lan, Yann-Wen; Jr., Carlos M. Torres,; Zhu, Xiaodan; Qasem, Hussam; Adleman, James R.; Lerner, Mitchell B.; Tsai, Shin-Hung; Shi, Yumeng; Li, Lain-Jong; Yeh, Wen-Kuan; Wang, Kang L.

2016-01-01

Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (V-CB > 0) as is necessary for the typical unipolar hot-electron transistor behavior. Here we demonstrate a novel functionality, specifically a dual-mode operation, in our 2D material-base hot electron transistors (e.g. with either graphene or MoS2 in the base region) with the application of a negative collector-base potential (V-CB < 0). That is, our 2D material-base hot electron transistors can operate in either a hot-electron or a reverse-current dominating mode depending upon the particular polarity of VCB. Furthermore, these devices operate at room temperature and their current gains can be dynamically tuned by varying VCB. We anticipate our multi-functional dual-mode transistors will pave the way towards the realization of novel flexible 2D material-based high-density and low-energy hot-carrier electronic applications.

Dual-mode operation of 2D material-base hot electron transistors

KAUST Repository

Lan, Yann-Wen

2016-09-01

Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (V-CB > 0) as is necessary for the typical unipolar hot-electron transistor behavior. Here we demonstrate a novel functionality, specifically a dual-mode operation, in our 2D material-base hot electron transistors (e.g. with either graphene or MoS2 in the base region) with the application of a negative collector-base potential (V-CB < 0). That is, our 2D material-base hot electron transistors can operate in either a hot-electron or a reverse-current dominating mode depending upon the particular polarity of VCB. Furthermore, these devices operate at room temperature and their current gains can be dynamically tuned by varying VCB. We anticipate our multi-functional dual-mode transistors will pave the way towards the realization of novel flexible 2D material-based high-density and low-energy hot-carrier electronic applications.

HAC and fission reactors

International Nuclear Information System (INIS)

Fujiwara, I.; Moriyama, H.; Tachikawa, E.

1984-01-01

In the fission process, newly formed fission products undergo hot atom reactions due to their energetic recoil and abnormal positive charge. The hot atom reactions of the fission products are usually accompanied by secondary effects such as radiation damage, especially in condensed phase. For reactor safety it is valuable to know the chemical behaviour and the release behaviour of these radioactive fission products. Here, the authors study the chemical behaviour and the release behaviour of the fission products from the viewpoint of hot atom chemistry (HAC). They analyze the experimental results concerning fission product behaviour with the help of the theories in HAC and other neighboring fields such as radiation chemistry. (Auth.)

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.

Plasmonic photocatalytic reactions enhanced by hot electrons in a one-dimensional quantum well

Directory of Open Access Journals (Sweden)

H. J. Huang

2015-11-01

Full Text Available The plasmonic endothermic oxidation of ammonium ions in a spinning disk reactor resulted in light energy transformation through quantum hot charge carriers (QHC, or quantum hot electrons, during a chemical reaction. It is demonstrated with a simple model that light of various intensities enhance the chemical oxidization of ammonium ions in water. It was further observed that light illumination, which induces the formation of plasmons on a platinum (Pt thin film, provided higher processing efficiency compared with the reaction on a bare glass disk. These induced plasmons generate quantum hot electrons with increasing momentum and energy in the one-dimensional quantum well of a Pt thin film. The energy carried by the quantum hot electrons provided the energy needed to catalyze the chemical reaction. The results indicate that one-dimensional confinement in spherical coordinates (i.e., nanoparticles is not necessary to provide an extra excited state for QHC generation; an 8 nm Pt thin film for one-dimensional confinement in Cartesian coordinates can also provide the extra excited state for the generation of QHC.

Atomic Charges and Chemical Bonding in Y-Ga Compounds

Directory of Open Access Journals (Sweden)

Yuri Grin

2018-02-01

Full Text Available A negative deviation from Vegard rule for the average atomic volume versus yttrium content was found from experimental crystallographic information about the binary compounds of yttrium with gallium. Analysis of the electron density (DFT calculations employing the quantum theory of atoms in molecules revealed an increase in the atomic volumes of both Y and Ga with the increase in yttrium content. The non-linear increase is caused by the strengthening of covalent Y-Ga interactions with stronger participation of genuine penultimate shell electrons (4d electrons of yttrium in the valence region. Summing the calculated individual atomic volumes for a unit cell allows understanding of the experimental trend. With increasing yttrium content, the polarity of the Y-Ga bonding and, thus its ionicity, rises. The covalency of the atomic interactions in Y-Ga compounds is consistent with their delocalization from two-center to multi-center ones.

NMR Chemical Shift of a Helium Atom as a Probe for Electronic Structure of FH, F-, (FHF)-, and FH2.

Science.gov (United States)

Tupikina, E Yu; Efimova, A A; Denisov, G S; Tolstoy, P M

2017-12-21

In this work, we present the first results of outer electronic shell visualization by using a 3 He atom as a probe particle. As model objects we have chosen F - , FH, and FH 2 + species, as well as the hydrogen-bonded complex FH···F - at various H···F - distances (3.0, 2.5, 2.0, and 1.5 Å and equilibrium at ca. 1.14 Å). The interaction energy of investigated objects with helium atom (CCSD/aug-cc-pVTZ) and helium atom chemical shift (B3LYP/pcS-2) surfaces were calculated, and their topological analysis was performed. For comparison, the results of standard quantum mechanical approaches to electronic shell visualization were presented (ESP, ELF, ED, ∇ 2 ED). We show that the Laplacian of helium chemical shift, ∇ 2 δ He , is sensitive to fluorine atom lone pair localization regions, and it can be used for the visualization of the outer electronic shell, which could be used to evaluate the proton accepting ability. The sensitivity of ∇ 2 δ He to lone pairs is preserved at distances as large as 2.0-2.5 Å from the fluorine nucleus (in comparison with the distance to ESP minima, located at 1.0-1.5 Å or maxima of ELF, which are as close as 0.6 Å to the fluorine nucleus).

Effects of intermittent atomization on the properties of Al-doped ZnO thin films deposited by aerosol-assisted chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Liu, Linjie; Wang, Lixin [Hebei Key Laboratory of Applied Chemistry, Yanshan University, Qinhuangdao 066004 (China); Qin, Xiujuan, E-mail: qinxj@ysu.edu.cn [Hebei Key Laboratory of Applied Chemistry, Yanshan University, Qinhuangdao 066004 (China); Cui, Li [Hebei Key Laboratory of Applied Chemistry, Yanshan University, Qinhuangdao 066004 (China); Shao, Guangjie [Hebei Key Laboratory of Applied Chemistry, Yanshan University, Qinhuangdao 066004 (China); State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)

2016-04-30

Al-doped ZnO (AZO) thin films were prepared on glass substrates with different atomization interval times by aerosol-assisted chemical vapor deposition method. The structure, morphology, and optical and electrical properties were investigated by X-ray diffractometer, atomic force microscope, UV-vis double beam spectrophotometer and 4 point probe method. ZnO thin films exhibited strong growth orientation along the (002) plane and the crystalline was affected by the atomization interval time. All the films had high transmittance and the films with interval times of 2 min and 4 min had good haze values for the transparent conducting oxide silicon solar cell applications. The AZO thin film had the best optical and electrical properties when the atomization interval time was 4 min. This is very important for the optoelectronic device applications. The surface morphology of AZO films depended on the atomization interval time. - Highlights: • Intermittent atomization is proved to be an effective measure. • Atomization interval time has an important influence on the crystallinity of films. • The surface morphology of ZnO films depends on atomization interval time. • Different hazes can be obtained by changing the atomization interval time.

Effects of intermittent atomization on the properties of Al-doped ZnO thin films deposited by aerosol-assisted chemical vapor deposition

International Nuclear Information System (INIS)

Liu, Linjie; Wang, Lixin; Qin, Xiujuan; Cui, Li; Shao, Guangjie

2016-01-01

Al-doped ZnO (AZO) thin films were prepared on glass substrates with different atomization interval times by aerosol-assisted chemical vapor deposition method. The structure, morphology, and optical and electrical properties were investigated by X-ray diffractometer, atomic force microscope, UV-vis double beam spectrophotometer and 4 point probe method. ZnO thin films exhibited strong growth orientation along the (002) plane and the crystalline was affected by the atomization interval time. All the films had high transmittance and the films with interval times of 2 min and 4 min had good haze values for the transparent conducting oxide silicon solar cell applications. The AZO thin film had the best optical and electrical properties when the atomization interval time was 4 min. This is very important for the optoelectronic device applications. The surface morphology of AZO films depended on the atomization interval time. - Highlights: • Intermittent atomization is proved to be an effective measure. • Atomization interval time has an important influence on the crystallinity of films. • The surface morphology of ZnO films depends on atomization interval time. • Different hazes can be obtained by changing the atomization interval time.

Role of N2 molecules in pulse discharge production of I atoms for a pulsed chemical oxygen-iodine laser

International Nuclear Information System (INIS)

Kochetov, I V; Napartovich, A P; Vagin, N P; Yuryshev, N N

2011-01-01

A pulsed electric discharge is the most effective means to turn chemical oxygen-iodine laser (COIL) operation into the pulse mode by fast production of iodine atoms. Experimental studies and numerical simulations are performed on a pulsed COIL initiated by an electric discharge in a mixture CF 3 I : N 2 : O 2 ( 3 X) : O 2 (a 1 Δ g ) flowing out of a chemical singlet oxygen generator. A transverse pulsed discharge is realized at various iodide pressures. The model comprises a system of kinetic equations for neutral and charged species, the electric circuit equation, the gas thermal balance equation and the photon balance equation. Reaction rate coefficients for processes involving electrons are repeatedly re-calculated by the electron Boltzmann equation solver when the plasma parameters are changed. The processes accounted for in the Boltzmann equation include direct and stepwise excitation and ionization of atoms and molecules, dissociation of molecules, electron attachment processes, electron-ion recombination, electron-electron collisions and second-kind collisions. The last processes are particularly important because of a high singlet oxygen concentration in gas flow from the singlet oxygen chemical generator. A conclusion is drawn about satisfactory agreement between the theory and the experiment.

Photo- and radiation-chemical stability of molecules. Reactions of monomolecular hydrogen atom splitting off

International Nuclear Information System (INIS)

Plotnikov, V.G.; Ovchinnikov, A.A.

1978-01-01

In the review of works published up to 1978 one of the main problems of radiation chemistry is discussed, namely the relationship between the structure of organic molecules and their resistance to the effect of ionizing radiation. Theoretical aspects of this problem are considered for reactions of monomolecular hydrogen atom splitting off. It is shown that the radical yield in low-temperature radiation-chemical experiments is connected with the position of lower triplet states of molecules, ionization potentials, polarity of medium and the energy of C-H bonds in cation radicals

The influence of delta ferrite in the AISI 416 stainless steel hot workability

International Nuclear Information System (INIS)

Cardoso, P.H.S.; Kwietniewski, C.; Porto, J.P.; Reguly, A.; Strohaecker, T.R.

2003-01-01

Delta ferrite in martensitic stainless steels may have an adverse effect on the mechanical properties of these materials at high temperature. The occurrence of such phase is determined by the material chemical composition (mainly Cr and C), as-received microstructure condition and hot working temperature. The aim of this investigation is to assess the influence of delta ferrite on the hot workability of the martensitic AISI 416 stainless steel. Hence, different heats of this material (differing in chemical composition and as-received microstructure) were submitted to heating tests in order to observe the microstructural transformations that take place at high temperature and then examine the influence of these transformations on the mechanical behaviour. Phase characterisation and quantification were carried out using scanning electron microscopy/energy-dispersive X-ray microanalysis and image analysis. The heating tests were performed in the temperature range of 1100-1350 deg. C and hot workability in two heats with different delta ferrite content was assessed by hot torsion tests in the temperature range of 1000-1250 deg. C. The results have indicated that chemical composition and as-received microstructure strongly affect delta ferrite formation, which in turn deteriorates hot workability of the martensitic AISI 416 stainless steel

Status and problems of multiply ionized atom spectroscopy

International Nuclear Information System (INIS)

Kononov, Eh.Ya.; Ryabtsev, A.N.

1984-01-01

Principal directions of investigations associated with identification of spectral lines and with determination of energy structure of high multiplicity ions are analyzed. The considered part of atomic spectroscopy is developed both in the direction of obtaining high multiplicity ion spectra and interpretation of spectral details associated with excitation conditions and in the direction of detailed study on compound energy structures of electron shells. Spectroscopy with fast ion beams is widely developed. Accumulated atomic data, developed methods of atomic calculations and improvement of observation technique permit to realize complex spectroscopic diagnostics in astrophysics and hot plasma physics

Electromagnetically induced photonic bandgap in hot Cs atoms

International Nuclear Information System (INIS)

Li, D. W.; Zhang, L.; Su, X. M.; Zhuo, Z. C.; Kim, J. B

2010-01-01

Three-level Λ-type thermal Cs atoms are used to demonstrate the phenomenon of a photonic bandgap induced by quantum coherence with a standing wave (SW). We observed the transmitted signals of probe field driven by several kinds of SW, which are formed by a strong forward-traveling field and a backward-traveling field when a mirror reflects the forward-traveling beam. Considering Doppler inhomogeneous broadenings with a SW drive, we employ Fourier transformation to solve density-matrix equations for simulation results. The simulation results are found to be consistent with the experimental results.

Recent results from the chemistry of recoiling carbon and silicon atoms: The interplay between hot atom chemistry and gas kinetics

International Nuclear Information System (INIS)

Gaspar, P.P.; Garmestani, K.; Ferrieri, R.A.; Wolf, A.P.

1990-01-01

Recent results from the chemistry of recoiling carbon and silicon atoms illustrate the power of an experimental approach to the solution of complex mechanistic problems that combines the study of the reactions of recoiling atoms with conventional gas kinetic techniques. Included will be the reactions of 11 C atoms with anisole, addressing the question whether an aromatic pi-electron system can compete as a reactive site with carbon-hydrogen bonds

Direct growth of large grain polycrystalline silicon films on aluminum-induced crystallization seed layer using hot-wire chemical vapor deposition

International Nuclear Information System (INIS)

Wu, Bing-Rui; Lo, Shih-Yung; Wuu, Dong-Sing; Ou, Sin-Liang; Mao, Hsin-Yuan; Wang, Jui-Hao; Horng, Ray-Hua

2012-01-01

Large grain polycrystalline silicon (poly-Si) films on glass substrates have been deposited on an aluminum-induced crystallization (AIC) seed layer using hot-wire chemical vapor deposition (HWCVD). A poly-Si seed layer was first formed by the AIC process and a thicker poly-Si film was subsequently deposited upon the seed layer using HWCVD. The effects of AIC annealing parameters on the structural and electrical properties of the poly-Si seed layers were characterized by Raman scattering spectroscopy, field-emission scanning electron microscopy, and Hall measurements. It was found that the crystallinity of seed layer was enhanced with increasing the annealing duration and temperature. The poly-Si seed layer formed at optimum annealing parameters can reach a grain size of 700 nm, hole concentration of 3.5 × 10 18 cm −3 , and Hall mobility of 22 cm 2 /Vs. After forming the seed layer, poly-Si films with good crystalline quality and high growth rate (> 1 nm/s) can be obtained using HWCVD. These results indicated that the HWCVD-deposited poly-Si film on an AIC seed layer could be a promising candidate for thin-film Si photovoltaic applications. - Highlights: ►Poly-Si seed layers are formed by aluminum-induced crystallization (AIC) process. ►Poly-Si on AIC seed layers are prepared by hot-wire chemical vapor deposition. ►AIC process parameters affect structural properties of poly-Si films. ►Increasing the annealing duration and temperature increases the film crystallinity.

Atomic Resolution Imaging of Nanoscale Chemical Expansion in PrxCe1-xO2-δ during In Situ Heating.

Science.gov (United States)

Swallow, Jessica G; Lee, Ja Kyung; Defferriere, Thomas; Hughes, Gareth M; Raja, Shilpa N; Tuller, Harry L; Warner, Jamie H; Van Vliet, Krystyn J

2018-02-27

Thin film nonstoichiometric oxides enable many high-temperature applications including solid oxide fuel cells, actuators, and catalysis. Large concentrations of point defects (particularly, oxygen vacancies) enable fast ionic conductivity or gas exchange kinetics in these materials but also manifest as coupling between lattice volume and chemical composition. This chemical expansion may be either detrimental or useful, especially in thin film devices that may exhibit enhanced performance through strain engineering or decreased operating temperatures. However, thin film nonstoichiometric oxides can differ from bulk counterparts in terms of operando defect concentrations, transport properties, and mechanical properties. Here, we present an in situ investigation of atomic-scale chemical expansion in Pr x Ce 1-x O 2-δ (PCO), a mixed ionic-electronic conducting oxide relevant to electrochemical energy conversion and high-temperature actuation. Through a combination of electron energy loss spectroscopy and transmission electron microscopy with in situ heating, we characterized chemical strains and changes in oxidation state in cross sections of PCO films grown on yttria-stabilized zirconia (YSZ) at temperatures reaching 650 °C. We quantified, both statically and dynamically, the nanoscale chemical expansion induced by changes in PCO redox state as a function of position and direction relative to the film-substrate interface. Additionally, we observed dislocations at the film-substrate interface, as well as reduced cation localization to threading defects within PCO films. These results illustrate several key aspects of atomic-scale structure and mechanical deformation in nonstoichiometric oxide films that clarify distinctions between films and bulk counterparts and that hold several implications for operando chemical expansion or "breathing" of such oxide films.

Shield wall evaluation of hot cell facility for advanced spent fuel conditioning process

International Nuclear Information System (INIS)

Cho, I. J.; Kuk, D. H.; Ko, J. H.; Jung, W. M.; Yoo, G. S.; Lee, E. P.; Park, S. W.

2002-01-01

The future hot cell is located in the Irradiated Material Experiment Facility (IMEF) at the Korea Atomic Energy Research Institute (KAERI). It is β-γ type hot cell that was constructed on the base floor in IMEF building for irradiated material testing. And this hot cell will be used for carrying out the Advanced spent fuel Conditioning Process (ACP). The radiation shielding capability of hot cell should be sufficient to meet the radiation dose requirements in the related regulations. Because the radioactive sources of ACP are expected to be higher than radioactive sources of IMEF design criteria, the future hot cell in current status is unsatisfactory to hot test of ACP. So the shielding analysis of the future hot cell is performed to evaluate shielding ability of concrete shield wall. The shielding analysis included (a) identification of ACP source term; (b) photon source spectrum; (c) shielding analysis by QADS and MCNP-4C; and (d) enhancement of concrete shield wall. In this research, dose rates are obtained according to ACP source, geometry and hot cell shield wall thickness. And the evaluation and reinforcement thickness of the shield wall about future hot cell are concluded

Metal atom oxidation laser

International Nuclear Information System (INIS)

Jensen, R.J.; Rice, W.W.; Beattie, W.H.

1975-01-01

A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides

Atomic oxygen adsorption and its effect on the oxidation behaviour of ZrB2-ZrC-SiC in air

International Nuclear Information System (INIS)

Gao Dong; Zhang Yue; Xu Chunlai; Song Yang; Shi Xiaobin

2011-01-01

Research highlights: → Atomic oxygen was adsorbed on the surface of ZrB 2 -ZrC-SiC ceramics. → Atomic oxygen was preferred reacted with borides according to XPS spectra. → The atomic oxygen adsorption is detrimental to the oxidation resistance. → The porosity should be the major reason which provides diffusion path for the atomic oxygen. → The structure evolution of the ceramics during oxidation is analyzed. - Abstract: Atomic oxygen is adsorbed on the surface of the hot-pressed ZrB 2 -ZrC-SiC ceramic composites, and then the ceramic composites are oxidized in air up to 1500 deg. C with the purpose of clarifying the effect of atomic oxygen adsorption on the oxidation behaviour of the ceramic composites. The XPS spectra are employed to identify the adsorption mechanism of atomic oxygen on the surface of the ceramic composites, and the formation of O-B, O-Zr, and O-Si bonds indicates that atomic oxygen is chemically adsorbed on the surface of the ceramic. In addition, atomic oxygen is preferred to be adsorbed on the surface of borides according to the Zr 3d core level spectrum. On the other hand, the atomic oxygen adsorption is detrimental to the oxidation resistance according to experimental results, and the porosity of the ceramic should be the major reason which provides diffusion path for the atomic oxygen. Furthermore, the structure evolution of the ceramic composites during oxidation process is analyzed.

Hot Deformation Behavior of Hot-Extruded AA7175 Through Hot Torsion Tests.

Science.gov (United States)

Lee, Se-Yeon; Jung, Taek-Kyun; Son, Hyeon-Woo; Kim, Sang-Wook; Son, Kwang-Tae; Choi, Ho-Joon; Oh, Sang-Ho; Lee, Ji-Woon; Hyun, Soong-Keun

2018-03-01

The hot deformation behavior of hot-extruded AA7175 was investigated with flow curves and processing maps through hot torsion tests. The flow curves and the deformed microstructures revealed that dynamic recrystallization (DRX) occurred in the hot-extruded AA7175 during hot working. The failure strain was highest at medium temperature. This was mainly influenced by the dynamic precipitation of fine rod-shaped MgZn2. The processing map determined the optimal deformation condition for the alloy during hot working.

Architectural and chemical insights into the origin of hot Jupiters

Science.gov (United States)

Schlaufman, Kevin C.

2015-10-01

The origin of Jupiter-mass planets with orbital periods of only a few days is still uncertain. This problem has been with us for 20 years, long enough for significant progress to have been made, and also for a great deal of ``lore" to have accumulated about the properties of these planets. Among this lore is the widespread belief that hot Jupiters are less likely to be in multiple giant planet systems than longer-period giant planets. I will show that in this case the lore is not supported by the best data available today: hot Jupiters are not lonely. I will also show that stellar sodium abundance is inversely proportional to the probability that a star hosts a short-period giant planet. This observation is best explained by the effect of decreasing sodium abundance on protoplanetary disk structure and reveals that planetesimal-disk or planet-disk interactions are critical for the existence of short-period giant planets.

On the physical and chemical details of alumina atomic layer deposition: A combined experimental and numerical approach

International Nuclear Information System (INIS)

Pan, Dongqing; Ma, Lulu; Xie, Yuanyuan; Yuan, Chris; Jen, Tien Chien

2015-01-01

Alumina thin film is typically studied as a model atomic layer deposition (ALD) process due to its high dielectric constant, high thermal stability, and good adhesion on various wafer surfaces. Despite extensive applications of alumina ALD in microelectronics industries, details on the physical and chemical processes are not yet well understood. ALD experiments are not able to shed adequate light on the detailed information regarding the transient ALD process. Most of current numerical approaches lack detailed surface reaction mechanisms, and their results are not well correlated with experimental observations. In this paper, the authors present a combined experimental and numerical study on the details of flow and surface reactions in alumina ALD using trimethylaluminum and water as precursors. Results obtained from experiments and simulations are compared and correlated. By experiments, growth rate on five samples under different deposition conditions is characterized. The deposition rate from numerical simulation agrees well with the experimental results. Details of precursor distributions in a full cycle of ALD are studied numerically to bridge between experimental observations and simulations. The 3D transient numerical model adopts surface reaction kinetics and mechanisms based on atomic-level studies to investigate the surface deposition process. Surface deposition is shown as a strictly self-limited process in our numerical studies. ALD is a complex strong-coupled fluid, thermal and chemical process, which is not only heavily dependent on the chemical kinetics and surface conditions but also on the flow and material distributions

Examples how to use atomic and molecular databases

International Nuclear Information System (INIS)

Murakami, Izumi

2012-01-01

As examples how to use atomic and molecular databases, atomic spectra database (ASD) and molecular chemical kinetics database of National Institute of Standards and Technology (NIST), collision cross sections of National Institute of Fusion Science (NIFS), Open-Atomic Data and Analysis Structure (ADAS) and chemical reaction rate coefficients of GRI-Mech were presented. Sorting method differed in each database and several options were prepared. Atomic wavelengths/transition probabilities and electron collision ionization, excitation and recombination cross sections/rate coefficients were simply searched with just specifying atom or ion using a general internet search engine (GENIE) of IAEA. (T. Tanaka)

Hot spot-based design of small-molecule inhibitors for protein-protein interactions.

Science.gov (United States)

Guo, Wenxing; Wisniewski, John A; Ji, Haitao

2014-06-01

Protein-protein interactions (PPIs) are important targets for the development of chemical probes and therapeutic agents. From the initial discovery of the existence of hot spots at PPI interfaces, it has been proposed that hot spots might provide the key for developing small-molecule PPI inhibitors. However, there has been no review on the ways in which the knowledge of hot spots can be used to achieve inhibitor design, nor critical examination of successful examples. This Digest discusses the characteristics of hot spots and the identification of druggable hot spot pockets. An analysis of four examples of hot spot-based design reveals the importance of this strategy in discovering potent and selective PPI inhibitors. A general procedure for hot spot-based design of PPI inhibitors is outlined. Copyright © 2014 Elsevier Ltd. All rights reserved.

Dual-mode operation of 2D material-base hot electron transistors.

Science.gov (United States)

Lan, Yann-Wen; Torres, Carlos M; Zhu, Xiaodan; Qasem, Hussam; Adleman, James R; Lerner, Mitchell B; Tsai, Shin-Hung; Shi, Yumeng; Li, Lain-Jong; Yeh, Wen-Kuan; Wang, Kang L

2016-09-01

Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (VCB > 0) as is necessary for the typical unipolar hot-electron transistor behavior. Here we demonstrate a novel functionality, specifically a dual-mode operation, in our 2D material-base hot electron transistors (e.g. with either graphene or MoS2 in the base region) with the application of a negative collector-base potential (VCB transistors can operate in either a hot-electron or a reverse-current dominating mode depending upon the particular polarity of VCB. Furthermore, these devices operate at room temperature and their current gains can be dynamically tuned by varying VCB. We anticipate our multi-functional dual-mode transistors will pave the way towards the realization of novel flexible 2D material-based high-density and low-energy hot-carrier electronic applications.

An automated decision-tree approach to predicting protein interaction hot spots.

Science.gov (United States)

Darnell, Steven J; Page, David; Mitchell, Julie C

2007-09-01

Protein-protein interactions can be altered by mutating one or more "hot spots," the subset of residues that account for most of the interface's binding free energy. The identification of hot spots requires a significant experimental effort, highlighting the practical value of hot spot predictions. We present two knowledge-based models that improve the ability to predict hot spots: K-FADE uses shape specificity features calculated by the Fast Atomic Density Evaluation (FADE) program, and K-CON uses biochemical contact features. The combined K-FADE/CON (KFC) model displays better overall predictive accuracy than computational alanine scanning (Robetta-Ala). In addition, because these methods predict different subsets of known hot spots, a large and significant increase in accuracy is achieved by combining KFC and Robetta-Ala. The KFC analysis is applied to the calmodulin (CaM)/smooth muscle myosin light chain kinase (smMLCK) interface, and to the bone morphogenetic protein-2 (BMP-2)/BMP receptor-type I (BMPR-IA) interface. The results indicate a strong correlation between KFC hot spot predictions and mutations that significantly reduce the binding affinity of the interface. 2007 Wiley-Liss, Inc.

Hot-cell shielding system for high power transmission in DUPIC fuel fabrication

International Nuclear Information System (INIS)

Kim, K.; Lee, J.; Park, J.; Yang, M.; Park, H.

2000-01-01

This paper presents a newly designed hot-cell shielding system for use in the development of DUPIC (Direct Use of spent PWR fuel In CANDU reactors) fuel at KAERI (Korea Atomic Energy Research Institute). This hot-cell shielding system that was designed to transmit high power to sintering furnace in-cell from the out-of-cell through a thick cell wall has three subsystems - a steel shield plug with embedded spiral cooling line, stepped copper bus bars, and a shielding lead block. The dose-equivalent rates of the hot-cell shielding system and of the apertures between this system and the hot-cell wall were calculated. Calculated results were compared with the allowable dose limit of the existing hot-cell. Experiments for examining the temperature changes of the shielding system developed during normal furnace operation were also carried out. Finally, gamma-ray radiation survey experiments were conducted by Co-60 source. It is demonstrated that, from both calculated and experimental results, the newly designed hot-cell shielding system meets all the shielding requirements of the existing hot-cell facility, enabling high power transmission to the in-cell sintering furnace. (author)

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

Nuclear chemical engineering

International Nuclear Information System (INIS)

Lee, Geon Jae; Shin, Young Jun

1989-08-01

The contents of this book are introduction of chemical engineering and related chemistry on an atomic reactor, foundation of the chemistry nuclear chemical engineering, theory on nuclear engineering, the cycle of uranium and nuclear fuel, a product of nuclear division, nuclear reprocessing, management of spent fuel separation of radioisotope, materials of an atomic reactor, technology and chemistry related water in atomic reactors and utilization of radioisotope and radiation. This book has the exercises and reference books for the each chapter.

Determination of microquantities of cesium in leaching tests by atomic absorption spectrometry with electrothermal atomization

International Nuclear Information System (INIS)

Crubellati, R.O.; Di Santo, N.R.

1988-01-01

An original method for cesium determinations by atomic absorption spectrometry with electrothermal atomization is described. The effect of foreign ions (alkali and earth alkaline metals) present in leaching test of glasses with incorporated radioactive wastes was studied. The effect of different mineral acids was also investigated. A comparison between the flame excitation method and the electrothermal atomization one was made. Under optimum conditions, cesium in quantities down to 700 ng in 1000 ml of sample could be determined. The calibration curve was linear in the range of 0.7 - 15 ng/mL. The fact that the proposed determinations can be performed in a short time and that a small sample volume is required are fundamental advantages of this method, compared with the flame excitation procedure. Besides, it is adaptable to be applied in hot cells and glove boxes. (Author) [es

Organic, inorganic and total mercury determination in fish by chemical vapor generation with collection on a gold gauze and electrothermal atomic absorption spectrometry

International Nuclear Information System (INIS)

Duarte, Fabio Andrei; Bizzi, Cezar Augusto; Goldschmidt Antes, Fabiane; Dressler, Valderi Luiz; Flores, Erico Marlon de Moraes

2009-01-01

A method for organic, inorganic and total mercury determination in fish tissue has been developed using chemical vapor generation and collection of mercury vapor on a gold gauze inside a graphite tube and further atomization by electrothermal atomic absorption spectrometry. After drying and cryogenic grinding, potassium bromide and hydrochloric acid solution (1 mol L - 1 KBr in 6 mol L - 1 HCl) was added to the samples. After centrifugation, total mercury was determined in the supernatant. Organomercury compounds were selectively extracted from KBr solution using chloroform and the resultant solution was back extracted with 1% m/v L-cysteine. This solution was used for organic Hg determination. Inorganic Hg remaining in KBr solution was directly determined by chemical vapor generation electrothermal atomic absorption spectrometry. Mercury vapor generation from extracts was performed using 1 mol L - 1 HCl and 2.5% m/v NaBH 4 solutions and a batch chemical vapor generation system. Mercury vapor was collected on the gold gauze heated resistively at 80 deg. C and the atomization temperature was set at 650 deg. C. The selectivity of extraction was evaluated using liquid chromatography coupled to chemical vapor generation and determination by inductively coupled plasma mass spectrometry. The proposed method was applied for mercury analysis in shark, croaker and tuna fish tissues. Certified reference materials were used to check accuracy and the agreement was better than 95%. The characteristic mass was 60 pg and method limits of detection were 5, 1 and 1 ng g - 1 for organic, inorganic and total mercury, respectively. With the proposed method it was possible to analyze up to 2, 2 and 6 samples per hour for organic, inorganic and total Hg determination, respectively.

Hot Electron Nanoscopy and Spectroscopy (HENs)

KAUST Repository

Giugni, Andrea; Torre, Bruno; Allione, Marco; Perozziello, Gerardo; Candeloro, Patrizio; Di Fabrizio, Enzo M.

2017-01-01

This chapter includes a brief description of different laser coupling methods with guided surface plasmon polariton (SPP) modes at the surface of a cone. It shows some devices, their electromagnetic simulations, and their optical characterization. A theoretical section illustrates the optical and quantum description of the hot charge generation rate as obtained for the SPP propagation along the nanocone in adiabatic compression. The chapter also shows some experimental results concerning the application of the hot electron nanoscopy and spectroscopy (HENs) in the so-called Schottky configuration, highlighting the sensitivity and the nanoscale resolution of the technique. The comparison with Kelvin probe and other electric atomic force microscopy (AFM) techniques points out the intrinsic advantages of the HENs. In the end, some further insights are given about the possibility of exploiting HENs with a pulsed laser at the femtosecond time scale without significant pulse broadening and dispersion.

Hot Electron Nanoscopy and Spectroscopy (HENs)

KAUST Repository

Giugni, Andrea

2017-08-17

This chapter includes a brief description of different laser coupling methods with guided surface plasmon polariton (SPP) modes at the surface of a cone. It shows some devices, their electromagnetic simulations, and their optical characterization. A theoretical section illustrates the optical and quantum description of the hot charge generation rate as obtained for the SPP propagation along the nanocone in adiabatic compression. The chapter also shows some experimental results concerning the application of the hot electron nanoscopy and spectroscopy (HENs) in the so-called Schottky configuration, highlighting the sensitivity and the nanoscale resolution of the technique. The comparison with Kelvin probe and other electric atomic force microscopy (AFM) techniques points out the intrinsic advantages of the HENs. In the end, some further insights are given about the possibility of exploiting HENs with a pulsed laser at the femtosecond time scale without significant pulse broadening and dispersion.

Detection of hot muonic hydrogen atoms emitted in vacuum using x-rays

International Nuclear Information System (INIS)

Jacot-Guillarmod, R.; Bailey, J.M.; Beer, G.A.; Knowles, P.E.; Mason, G.R.; Olin, A.; Beveridge, J.L.; Marshall, G.M.; Brewer, J.H.; Forster, B.M.; Huber, T.M.; Kammel, P.; Zmeskal, J.; Petitjean, C.

1992-01-01

Negative muons are stopped in solid layers of hydrogen and neon. Muonic hydrogen atoms can drift to the neon layer where the muon is immediately transferred. It was found that the time structure of the muonic neon X-rays follows the exponential law where the rate is the same as the disappearance rate of μ - p atoms. The ppμ-formation rate and the muon transfer rate to deuterium are deduced

Determining treatment frequency for controlling weeds on traffic islands using chemical and non-chemical weed control

DEFF Research Database (Denmark)

Rask, Anne Merete; Larsen, S.U.; Andreasen, Christian

2013-01-01

Many public authorities rely on the use of non-chemical weed control methods, due to stringent restrictions on herbicide use in urban areas. However, these methods usually require more repeated treatments than chemical weed management, resulting in increased costs of weed management. In order...... of treatments per year were required: glyphosate 2.5, hot water 3, flames 5, hot air/flames 5.5 and steam 5.5 treatments. The results demonstrate that the weed control should be adjusted to the prescribed quality for the traffic islands by regularly assessing the need for weed control. They also show...... to investigate the efficacy of four non-chemical weed control methods and glyphosate treatment, experiments were carried out on traffic islands in the growing seasons 2005 and 2006. Three trial sites were each divided into six treatment areas, which were either treated with glyphosate, flame, steam, hot air...

Effect of chemical composition of copper alloys on their hot-brittleness and weldability

International Nuclear Information System (INIS)

Zakharov, M.V.

1985-01-01

Effect of different alloying elements on the hot crack formation in argon-arc welding of M1 copper has been studied. It is shown that the effective crystallization interval has a determining influence on hot-brittleness of low-alloyed high-thermal- and electric conducting welded copper alloys. The narrow is this interval the lower is linear schrinkage and the alloys inclined to the formation of crystallization cracks in welding to a lesser degree. Alloying elements with low solubility in copper in solid state broadening the crystallization interval affect negatively the alloy hot-brittleness. Such additives as zirconium are useful at 0.02-0.O5% content and at > 0.1% content are intolerable. As to cadmium, tin, magnesium, cerium and antimony additives they don't practically strengthen copper and its alloys at 700-800 deg C and they should not be introduced

Atom-specific look at the surface chemical bond using x-ray emission spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Nilsson, A.; Wassdahl, N.; Weinelt, M. [Uppsala Univ. (Sweden)] [and others

1997-04-01

CO and N{sub 2} adsorbed on the late transition metals have become prototype systems regarding the general understanding of molecular adsorption. It is in general assumed that the bonding of molecules to transition metals can be explained in terms of the interaction of the frontier HOMO and LUMO molecular orbitals with the d-orbitals. In such a picture the other molecular orbitals should remain essentially the same as in the free molecule. For the adsorption of the isoelectronic molecules CO and N{sub 2} this has led to the so called Blyholder model i.e., a synergetic {sigma} (HOMO) donor and {pi} (LUMO) backdonation bond. The authors results at the ALS show that such a picture is oversimplified. The direct observation and identification of the states related to the surface chemical bond is an experimental challenge. For noble and transition metal surfaces, the adsorption induced states overlap with the metal d valence band. Their signature is therefore often obscured by bulk substrate states. This complication has made it difficult for techniques such as photoemission and inverse photoemission to provide reliable information on the energy of chemisorption induced states and has left questions unanswered regarding the validity of the frontier orbitals concept. Here the authors show how x-ray emission spectroscopy (XES), in spite of its inherent bulk sensitivity, can be used to investigate adsorbed molecules. Due to the localization of the core-excited intermediate state, XE spectroscopy allows an atomic specific separation of the valence electronic states. Thus the molecular contributions to the surface measurements make it possible to determine the symmetry of the molecular states, i.e., the separation of {pi} and {sigma} type states. In all the authors can obtain an atomic view of the electronic states involved in the formation of the chemical bond to the surface.

Hard and soft acids and bases: atoms and atomic ions.

Science.gov (United States)

Reed, James L

2008-07-07

The structural origin of hard-soft behavior in atomic acids and bases has been explored using a simple orbital model. The Pearson principle of hard and soft acids and bases has been taken to be the defining statement about hard-soft behavior and as a definition of chemical hardness. There are a number of conditions that are imposed on any candidate structure and associated property by the Pearson principle, which have been exploited. The Pearson principle itself has been used to generate a thermodynamically based scale of relative hardness and softness for acids and bases (operational chemical hardness), and a modified Slater model has been used to discern the electronic origin of hard-soft behavior. Whereas chemical hardness is a chemical property of an acid or base and the operational chemical hardness is an experimental measure of it, the absolute hardness is a physical property of an atom or molecule. A critical examination of chemical hardness, which has been based on a more rigorous application of the Pearson principle and the availability of quantitative measures of chemical hardness, suggests that the origin of hard-soft behavior for both acids and bases resides in the relaxation of the electrons not undergoing transfer during the acid-base interaction. Furthermore, the results suggest that the absolute hardness should not be taken as synonymous with chemical hardness but that the relationship is somewhat more complex. Finally, this work provides additional groundwork for a better understanding of chemical hardness that will inform the understanding of hardness in molecules.

Composite material reinforced with atomized quasicrystalline particles and method of making same

Science.gov (United States)

Biner, S.B.; Sordelet, D.J.; Lograsso, B.K.; Anderson, I.E.

1998-12-22

A composite material comprises an aluminum or aluminum alloy matrix having generally spherical, atomized quasicrystalline aluminum-transition metal alloy reinforcement particles disposed in the matrix to improve mechanical properties. A composite article can be made by consolidating generally spherical, atomized quasicrystalline aluminum-transition metal alloy particles and aluminum or aluminum alloy particles to form a body that is cold and/or hot reduced to form composite products, such as composite plate or sheet, with interfacial bonding between the quasicrystalline particles and the aluminum or aluminum alloy matrix without damage (e.g. cracking or shape change) of the reinforcement particles. The cold and/or hot worked composite exhibits substantially improved yield strength, tensile strength, Young`s modulus (stiffness). 3 figs.

Direct determination of arsenic in petroleum derivatives by graphite furnace atomic absorption spectrometry: A comparison between filter and platform atomizers

Energy Technology Data Exchange (ETDEWEB)

Becker, Emilene; Rampazzo, Roger T.; Dessuy, Morgana B. [Instituto de Quimica, Universidade Federal do Rio Grande do Sul, Av. Bento Goncalves, 9500, 91501-970 Porto Alegre, RS (Brazil); Vale, Maria Goreti R., E-mail: mgrvale@ufrgs.br [Instituto de Quimica, Universidade Federal do Rio Grande do Sul, Av. Bento Goncalves, 9500, 91501-970 Porto Alegre, RS (Brazil); Instituto Nacional de Ciencia e Tecnologia do CNPq - INCT de Energia e Ambiente, Universidade Federal da Bahia, Salvador, BA (Brazil); Silva, Marcia M. da [Instituto de Quimica, Universidade Federal do Rio Grande do Sul, Av. Bento Goncalves, 9500, 91501-970 Porto Alegre, RS (Brazil); Welz, Bernhard [Instituto Nacional de Ciencia e Tecnologia do CNPq - INCT de Energia e Ambiente, Universidade Federal da Bahia, Salvador, BA (Brazil); Departamento de Quimica, Universidade Federal de Santa Catarina, 88040-900, Florianopolis, SC (Brazil); Katskov, Dmitri A. [Tshwane University of Technology (TUT), Faculty of Science, Chemistry Department, Pretoria 0001 (South Africa)

2011-05-15

In the present work a direct method for the determination of arsenic in petroleum derivatives has been developed, comparing the performance of a commercial transversely heated platform atomizer (THPA) with that of a transversely heated filter atomizer (THFA). The THFA results in a reduction of background absorption and an improved sensitivity as has been reported earlier for this atomizer. The mixture of 0.1% (m/v) Pd + 0.03% (m/v) Mg + 0.05% (v/v) Triton X-100 was used as the chemical modifier for both atomizers. The samples (naphtha, gasoline and petroleum condensate) were stabilized in the form of a three-component solution (detergentless microemulsion) with the sample, propan-1-ol and 0.1% (v/v) HNO{sub 3} in a ratio of 3.0:6.4:0.6. The characteristic mass of 13 pg found in the THFA was about a factor of two better than that of 28 pg obtained with the THPA; however, the limits of detection (LOD) and quantification (LOQ) were essentially the same for both atomizers (1.9 and 6.2 {mu}g L{sup -1}, respectively, for THPA, and 1.8 and 5.9 {mu}g L{sup -1}, respectively, for THFA) due to the increased noise observed with the THFA. A possible explanation for that is a partial blockage of the radiation from the hollow cathode lamp by the narrow inner diameter of this tube and the associated loss of radiation energy. Due to the lack of an appropriate certified reference material, recovery tests were carried out with inorganic and organic arsenic standards and the results were between 89% and 111%. The only advantage of the THFA found in this work was a reduction of the total analysis time by about 20% due to the 'hot injection' that could be realized with this furnace. The arsenic concentrations varied from < LOQ to 43.3 {mu}g L{sup -1} in the samples analyzed in this work.

Direct determination of cadmium in Orujo spirit samples by electrothermal atomic absorption spectrometry: Comparative study of different chemical modifiers

International Nuclear Information System (INIS)

Vilar Farinas, M.; Barciela Garcia, J.; Garcia Martin, S.; Pena Crecente, R.; Herrero Latorre, C.

2007-01-01

In this work, several analytical methods are proposed for cadmium determination in Orujo spirit samples using electrothermal atomic absorption spectrometry (ETAAS). Permanent chemical modifiers thermally coated on the platforms inserted in pyrolytic graphite tubes (such as W, Ir, Ru, W-Ir and W-Ru) were comparatively studied in relation to common chemical modifier mixtures [Pd-Mg(NO 3 ) 2 and (NH 4 )H 2 PO 4 -Mg(NO 3 ) 2 ] for cadmium stabilization. Different ETAAS Cd determination methods based on the indicated modifiers have been developed. In each case, pyrolysis and atomization temperatures, atomization shapes, characteristic masses and detection limits as well as other analytical characteristics have been determined. All the assayed modifiers (permanent and conventional) were capable of achieving the appropriate stabilization of the analyte, with the exception of Ru and W-Ru. Moreover, for all developed methods, recoveries (99-102%) and precision (R.S.D. lower than 10%) were acceptable. Taking into account the analytical performance (best detection limit LOD = 0.01 μg L -1 ), the ETAAS method based on the use of W as a permanent modifier was selected for further direct Cd determinations in Orujo samples from Galicia (NW Spain). The chosen method was applied in the determination of the Cd content in 38 representative Galician samples. The cadmium concentrations ranged -1

Spectrochemical analysis by atomic absorption and emission

National Research Council Canada - National Science Library

Lajunen, Lauri

1992-01-01

... of these techniques. Inductively coupled plasma mass spectrometry (ICP-MS) has become a 'hot' analytical technique during the last few years, and is being used in many branches of science. Since the publication of my previous book 'Atomispektrometria' (in Finnish) in 1986, various techniques in analytical atomic spectroscopy have undergone significant dev...

Hot-wire chemical vapor synthesis for a variety of nano-materials with novel applications

International Nuclear Information System (INIS)

Dillon, A.C.; Mahan, A.H.; Deshpande, R.; Alleman, J.L.; Blackburn, J.L.; Parillia, P.A.; Heben, M.J.; Engtrakul, C.; Gilbert, K.E.H.; Jones, K.M.; To, R.; Lee, S-H.; Lehman, J.H.

2006-01-01

Hot-wire chemical vapor deposition (HWCVD) has been demonstrated as a simple economically scalable technique for the synthesis of a variety of nano-materials in an environmentally friendly manner. For example we have employed HWCVD for the continuous production of both carbon single- and multi-wall nanotubes (SWNTs and MWNTs). Unanticipated hydrogen storage on HWCVD-generated MWNTs has led insight into the adsorption mechanism of hydrogen on metal/carbon composites at near ambient temperatures that could be useful for developing a vehicular hydrogen storage system. Recent efforts have been focused on growing MWNT arrays on thin nickel films with a simple HWCVD process. New data suggests that these MWNT arrays could replace the gold black coatings currently used in pyroelectric detectors to accurately measure laser power. Finally, we have very recently employed HWCVD for the production of crystalline molybdenum and tungsten oxide nanotubes and nanorods. These metal oxide nanorods and nanotubes could have applications in catalysis, batteries and electrochromic windows or as gas sensors. A summary of the techniques for growing these novel materials and their various potential applications is provided

AISI/DOE Advanced Process Control Program Vol. 3 of 6: MICROSTRUCTURAL ENGINEERING IN HOT-STRIP MILLS Part 2 of 2: Constitutive Behavior Modeling of Steels Under Hot-Rolling Conditions; FINAL

International Nuclear Information System (INIS)

Yi-Wen Cheng; Patrick Purtscher

1999-01-01

This report describes the development of models for predicting (1) constitutive behaviors and (2) mechanical properties of hot-rolled steels as functions of chemical composition, microstructural features, and processing variables. The study includes the following eight steels: A36, DQSK, HSLA-V, HSLA-Nb, HSLA-50/Ti-Nb, and two interstitial-free (IF) grades. These developed models have been integrated into the Hot-Strip Mill Model (HSMM), which simulates the hot strip rolling mills and predicts the mechanical properties of hot-rolled products. The HSMM model has been developed by the University of British Columbia-Canada as a part of project on the microstructural engineering in hot-strip mills

Integrating water exclusion theory into βcontacts to predict binding free energy changes and binding hot spots

Science.gov (United States)

2014-01-01

Background Binding free energy and binding hot spots at protein-protein interfaces are two important research areas for understanding protein interactions. Computational methods have been developed previously for accurate prediction of binding free energy change upon mutation for interfacial residues. However, a large number of interrupted and unimportant atomic contacts are used in the training phase which caused accuracy loss. Results This work proposes a new method, βACV ASA , to predict the change of binding free energy after alanine mutations. βACV ASA integrates accessible surface area (ASA) and our newly defined β contacts together into an atomic contact vector (ACV). A β contact between two atoms is a direct contact without being interrupted by any other atom between them. A β contact’s potential contribution to protein binding is also supposed to be inversely proportional to its ASA to follow the water exclusion hypothesis of binding hot spots. Tested on a dataset of 396 alanine mutations, our method is found to be superior in classification performance to many other methods, including Robetta, FoldX, HotPOINT, an ACV method of β contacts without ASA integration, and ACV ASA methods (similar to βACV ASA but based on distance-cutoff contacts). Based on our data analysis and results, we can draw conclusions that: (i) our method is powerful in the prediction of binding free energy change after alanine mutation; (ii) β contacts are better than distance-cutoff contacts for modeling the well-organized protein-binding interfaces; (iii) β contacts usually are only a small fraction number of the distance-based contacts; and (iv) water exclusion is a necessary condition for a residue to become a binding hot spot. Conclusions βACV ASA is designed using the advantages of both β contacts and water exclusion. It is an excellent tool to predict binding free energy changes and binding hot spots after alanine mutation. PMID:24568581

GHz Rabi Flopping to Rydberg States in Hot Atomic Vapor Cells

International Nuclear Information System (INIS)

Huber, B.; Baluktsian, T.; Schlagmueller, M.; Koelle, A.; Kuebler, H.; Loew, R.; Pfau, T.

2011-01-01

We report on the observation of Rabi oscillations to a Rydberg state on a time scale below 1 ns in thermal rubidium vapor. We use a bandwidth-limited pulsed excitation and observe up to 6 full Rabi cycles within a pulse duration of ∼4 ns. We find good agreement between the experiment and numerical simulations based on a surprisingly simple model. This result shows that fully coherent dynamics with Rydberg states can be achieved even in thermal atomic vapor, thus suggesting small vapor cells as a platform for room-temperature quantum devices. Furthermore, the result implies that previous coherent dynamics in single-atom Rydberg gates can be accelerated by 3 orders of magnitude.

Application of gas chromatography to the study of the chemical effects produced by the radiolysis and the 35Cl(n,p)35S reaction on the CCl4

International Nuclear Information System (INIS)

Davila R, J.I.

1980-01-01

In this work the gas radiochromatography, which is essential in the hot atom chemistry is used. By means of this technique the chemical effects of the 35 Cl(n,p) 35 S, and the radiolysis of liquid CCl 4 were studied. The samples of liquid CCl 4 were capsulated in cuarzo bulbs and were deaereated by several cycles of freeze and pumping in a vacuum line. The sample's irradiation was made in the Triga Mark III Salazar reactor with an approximated flux of 10 12 n-cm 2 -s -1 during ten hours. The sample's analysis was made using a gas radiochromatographer composed of a gas chromatographer, proportional flux detector and an adequate electronic system. In this form were obtained the radiochromatographics of the 35 S labelled compounds possibly formed by hot atom chemistry and at the same time the hexachloroetane formed by the secondary radiolytic effect of the ionizing radiation on the CCl 4 was identified. (author)

Structural Properties of Zn-ZnO Core-Shell Microspheres Grown by Hot-Filament CVD Technique

Directory of Open Access Journals (Sweden)

R. López

2012-01-01

Full Text Available We report the hot-filament chemical vapor deposition (HFCVD growth of Zn-ZnO core-shell microspheres in the temperature range of 350–650°C only using ZnO pellets as raw material. The samples were characterized by scanning electron microscope (SEM, energy dispersive spectroscopy (EDS, and X-ray diffraction (XRD techniques. SEM micrographs showed the presence of solid microspheres and a Zn-ZnO layer in all samples. The observed heterogeneous morphology on each sample suggested two different growth mechanisms. On the one hand, solid microspheres were formed by means of gas phase nucleation of Zn atoms. The Zn-ZnO layer was formed on the substrate as result of surface reactions. It is possible that Zn microspheres condensed during the natural cooling of the HFCVD reactor as they were observed on the Zn-ZnO layer.

Investigation of chemical modifiers for phosphorus in a graphite furnace using high-resolution continuum source atomic absorption spectrometry

International Nuclear Information System (INIS)

Lepri, Fabio G.; Dessuy, Morgana B.; Vale, Maria Goreti R.; Borges, Daniel L.G.; Welz, Bernhard; Heitmann, Uwe

2006-01-01

Phosphorus is not one of the elements that are typically determined by atomic absorption spectrometry, but this technique nevertheless offers several advantages that make it attractive, such as the relatively great freedom from interferences. As the main resonance lines for phosphorus are in the vacuum-ultraviolet, inaccessible by conventional atomic absorption spectrometry equipment, L'vov and Khartsyzov proposed to use the non-resonance doublet at 213.5 / 213.6 nm. Later it turned out that with conventional equipment it is necessary to use a chemical modifier in order to get reasonable sensitivity, and lanthanum was the first one suggested for that purpose. In the following years more than 30 modifiers have been proposed for the determination of this element, and there is no consensus about the best one. In this work high-resolution continuum source atomic absorption spectrometry has been used to investigate the determination of phosphorus without a modifier and with the addition of selected modifiers of very different nature, including the originally recommended lanthanum modifier, several palladium-based modifiers and sodium fluoride. As high-resolution continuum source atomic absorption spectrometry is revealing the spectral environment of the analytical line at high resolution, it became obvious that without the addition of a modifier essentially no atomic phosphorus is formed, even at 2700 deg. C . The absorption measured with line source atomic absorption spectrometry in this case is due to the PO molecule, the spectrum of which is overlapping with the atomic line. Palladium, with or without the addition of calcium or ascorbic acid, was found to be the only modifier to produce almost exclusively atomic phosphorus. Lanthanum and particularly sodium fluoride produced a mixture of P and PO, depending on the atomization temperature. This fact can explain at least some of the discrepancies found in the literature and some of the phenomena observed in the

A FEROS Survey of Hot Subdwarf Stars

Science.gov (United States)

Vennes, Stéphane; Németh, Péter; Kawka, Adela

2018-02-01

We have completed a survey of twenty-two ultraviolet-selected hot subdwarfs using the Fiber-fed Extended Range Optical Spectrograph (FEROS) and the 2.2-m telescope at La Silla. The sample includes apparently single objects as well as hot subdwarfs paired with a bright, unresolved companion. The sample was extracted from our GALEX catalogue of hot subdwarf stars. We identified three new short-period systems (P = 3.5 hours to 5 days) and determined the orbital parameters of a long-period (P = 62d.66) sdO plus G III system. This particular system should evolve into a close double degenerate system following a second common envelope phase.We also conducted a chemical abundance study of the subdwarfs: Some objects show nitrogen and argon abundance excess with respect to oxygen. We present key results of this programme.

Hot wire radicals and reactions

International Nuclear Information System (INIS)

Zheng Wengang; Gallagher, Alan

2006-01-01

Threshold ionization mass spectroscopy is used to measure radical (and stable gas) densities at the substrate of a tungsten hot wire (HW) reactor. We report measurements of the silane reaction probability on the HW and the probability of Si and H release from the HW. We describe a model for the atomic H release, based on the H 2 dissociation model. We note major variations in silicon-release, with dependence on prior silane exposure. Measured radical densities versus silane pressure yield silicon-silane and H-silane reaction rate coefficients, and the dominant radical fluxes to the substrate

Manual on Safety Aspects of the Design and Equipment of Hot Laboratories

International Nuclear Information System (INIS)

1969-01-01

With the development of atomic energy application and research, hot laboratories are now being constructed in a number of countries. The present publication describes and discusses experience in several countries in designing equipment for these laboratories. The safe handling of highly radioactive substances is the main purpose of hot laboratory design and equipment. The manual aims at helping those persons, particularly in the developing countries, who plan to design and construct a new hot laboratory or modify an existing one. It does not deal in great detail with the engineering design of protective and handling equipment; these matters can be found in the comprehensive list of references. The manual itself covers only basic ideas and different approaches in the design of laboratory building, hot cells, shielded and glove boxes, fume cupboards, and handling and viewing equipment. Systems for transferring materials and main services are also discussed.

Status of the FRM-II hot neutron source

International Nuclear Information System (INIS)

Mueller, C.; Gutsmiedl, E.

2001-01-01

The new research reactor FRM-II will be equipped with a hot neutron source. This secondary source will shift a part of the thermal neutron energy spectrum in the D 2 O moderator to energies from 0.1 to 1 eV. The hot neutron source consists of a graphite cylinder (200 mm diameter, 300 mm high), which is heated by gamma radiation up to a maximum temperature of about 2400 C. The graphite cylinder is surrounded by a high-temperature insulation of carbon fiber, to achieve this high temperature. We have accomplished mock-up tests of the carbon fiber in a high temperature furnace, to investigate the insulation properties of the material. The graphite cylinder and the insulation are covered with two vessels made out of Zircaloy 4. The space between the vessels is filled with helium. The hot neutron source is permanent under control by pressure and temperature measurements. The temperature inside the graphite cylinder will be measured by a purpose-built noise thermometer due to the extremely harsh environment conditions (temperature and nuclear radiation). The hot neutron source is designed and manufactured according to the general specification basic safety and to the German nuclear atomic rules (KTA). The source will be installed in year 2001. (orig.)

Light-pulse atom interferometric device

Science.gov (United States)

Biedermann, Grant; McGuinness, Hayden James Evans; Rakholia, Akash; Jau, Yuan-Yu; Schwindt, Peter; Wheeler, David R.

2016-03-22

An atomic interferometric device useful, e.g., for measuring acceleration or rotation is provided. The device comprises at least one vapor cell containing a Raman-active chemical species, an optical system, and at least one detector. The optical system is conformed to implement a Raman pulse interferometer in which Raman transitions are stimulated in a warm vapor of the Raman-active chemical species. The detector is conformed to detect changes in the populations of different internal states of atoms that have been irradiated by the optical system.

Hot gas cleaning, a targeted project

Energy Technology Data Exchange (ETDEWEB)

Romey, I. [University of Essen, Essen (Germany)

1998-11-01

Advanced hot gas cleaning systems will play a key role in future integrated combined cycle technologies. IGCC demonstration plants in operation or under construction are at present equipped with conventional wet gas scrubbing and cleaning systems. Feasibility studies for those IGCC plants have shown that the total efficiency of the processes can be improved using hot gas cleaning systems. However, this technology has not been developed and tested at a technical scale. Six well-known European industrial companies and research centres jointly worked together since January 1996 on a Targeted Project `Hot Gas Cleaning` to investigate and develop new hot gas cleaning systems for advanced clean coal power generation processes. In addition project work on chemical analysis and modelling was carried out in universities in England and Germany. The latest main findings were presented at the workshop. The main project aims are summarised as follows: to increase efficiency of advanced power generation processes; to obtain a reduction of alkalis and environmental emissions e.g. SO{sub 2}, NO{sub x}, CO{sub 2} and dust; and to develop the design basis for future industrial plants based on long-term operation of laboratory, pilot and demo-plants. To cover a range of possible process routes for future hot gas cleaning systems the following research programme is under investigation: removal of trace elements by different commercial and self developed sorbents; gas separation by membranes; separation of gas turbine relevant pollutants by hot filter dust and; H{sub 2}S removal and gas dedusting at high temperatures. 13 figs.

A new environment-friendly hot pepper variety "Shiyan No. 1"

Science.gov (United States)

Han, Jianming; Xu, Shuzhen; Wang, Ruiling; Zhang, Yanzhao; Yun, Chao

2018-04-01

Hot pepper has rich genetic diversity which is the important base of breeding of new variety, and it is also one of the important vegetable in the word. In this study, we bred the "Shiyan No. 1" environment-friendly hot pepper variety using hybrid method on the basis of hot pepper genetic diversity. "Shiyan No. 1" is a new F1 hybrid of hot pepper variety with mid-early maturity. The new variety has a high productivity of 3000-5000kg(667m2)-1 with thick oxhorn shape fruits, green skin, thick flesh, mild-hot taste, good quality and marketable characters. It can reduce chemical pesticides usage and thereby protect environment because it is resistant to virus disease, highly resistant to phytophthora blight, anthracnose and bacterial wilt. In conclusion, the new bred "Shiyan No.1" is suitable for protected cultivation and open field cultivation in China.

Solar 'hot spots' are still hot

Science.gov (United States)

Bai, Taeil

1990-01-01

Longitude distributions of solar flares are not random but show evidence for active zones (or hot spots) where flares are concentrated. According to a previous study, two hot spots in the northern hemisphere, which rotate with a synodic period of about 26.72 days, produced the majority of major flares, during solar cycles 20 and 21. The more prominent of these two hot spots is found to be still active during the rising part of cycle 22, producing the majority of northern hemisphere major flares. The synodic rotation period of this hot spot is 26.727 + or - 0.007 days. There is also evidence for hot spots in the southern hemisphere. Two hot spots separated by 180 deg are found to rotate with a period of 29.407 days, with one of them having persisted in the same locations during cycles 19-22 and the other, during cycles 20-22.

Chemical Composition of Apricot Pit Shells and Effect of Hot-Water Extraction

Directory of Open Access Journals (Sweden)

Derek B. Corbett

2015-09-01

Full Text Available Agricultural residues, such as corn stover, wheat straw, and nut shells show promise as feedstocks for lignocellulosic biorefinery due to their relatively high polysaccharide content and low or no nutritional value for human consumption. Apricot pit shells (APS were studied in this work to assess their potential for use in a biorefinery. Hot water extraction (HWE; 160 °C, 2 h, proposed to remove easily accessible hemicelluloses, was performed to evaluate the susceptibility of APS to this mild pretreatment process. The chemical composition of APS before and after HWE (EAPS was analyzed by standard methods and 1H-NMR. A low yield of the remaining HW-extracted APS (~59% indicated that APS are highly susceptible to this pretreatment method. 1H-NMR analysis of EAPS revealed that ~77% of xylan present in raw APS was removed along with ~24% of lignin. The energy of combustion of APS was measured before and after HWE showing a slight increase due to HWE (1.61% increase. Near infrared radiation spectroscopy (NIRS, proposed as a quick non-invasive method of biomass analysis, was performed. NIRS corroborated results of traditional analysis and 1H-NMR. Determination of antioxidizing activity (AOA of APS extracts was also undertaken. AOA of organic APS extracts were shown to be more than 20 times higher than that of a synthetic antioxidizing agent.

From trace chemistry to single atom chemistry

International Nuclear Information System (INIS)

Adloff, J.P.

1993-01-01

Hot atom chemistry in the vast majority of experimental works deals with the trace amount of radioactive matters. Accordingly, the concept of trace chemistry is at the heart of hot atom chemistry. Some aspects of the chemistry at trace scale and at subtrace scale are presented together with the related problems of speciation and the complication which may arise due to the formation of radio colloids. The examples of 127 I(n,γ) 128 I and 132 Te (β - ) 132 I are shown, and the method based on radioactivity was used. The procedure of separating the elements in pitchblende is shown as the example of the chemistry of traces. 13 27 Al+ 2 4 He→ 0 1 n+ 15 30 P and 15 30 P→ 14 30 Si+e + +V are shown, and how to recognize the presence of radioactive colloids is explained. The formation of radiocolloids is by the sorption of a trace radioelement on pre-existing colloidal impurity or the self-condensation of monomeric species. The temporal parameters of the nature of reactions at trace concentration are listed. The examples of Class A and Class B reactions are shown. The kinetics of reactions at trace level, radon concentration, anthropogenic Pu and natural Pu in environment, the behavior of Pu atoms and so on are described. (K.I.)

KFC2: a knowledge-based hot spot prediction method based on interface solvation, atomic density, and plasticity features.

Science.gov (United States)

Zhu, Xiaolei; Mitchell, Julie C

2011-09-01

Hot spots constitute a small fraction of protein-protein interface residues, yet they account for a large fraction of the binding affinity. Based on our previous method (KFC), we present two new methods (KFC2a and KFC2b) that outperform other methods at hot spot prediction. A number of improvements were made in developing these new methods. First, we created a training data set that contained a similar number of hot spot and non-hot spot residues. In addition, we generated 47 different features, and different numbers of features were used to train the models to avoid over-fitting. Finally, two feature combinations were selected: One (used in KFC2a) is composed of eight features that are mainly related to solvent accessible surface area and local plasticity; the other (KFC2b) is composed of seven features, only two of which are identical to those used in KFC2a. The two models were built using support vector machines (SVM). The two KFC2 models were then tested on a mixed independent test set, and compared with other methods such as Robetta, FOLDEF, HotPoint, MINERVA, and KFC. KFC2a showed the highest predictive accuracy for hot spot residues (True Positive Rate: TPR = 0.85); however, the false positive rate was somewhat higher than for other models. KFC2b showed the best predictive accuracy for hot spot residues (True Positive Rate: TPR = 0.62) among all methods other than KFC2a, and the False Positive Rate (FPR = 0.15) was comparable with other highly predictive methods. Copyright © 2011 Wiley-Liss, Inc.

Nano-SiC region formation in (100) Si-on-insulator substrate: Optimization of hot-C+-ion implantation process to improve photoluminescence intensity

Science.gov (United States)

Mizuno, Tomohisa; Omata, Yuhsuke; Kanazawa, Rikito; Iguchi, Yusuke; Nakada, Shinji; Aoki, Takashi; Sasaki, Tomokazu

2018-04-01

We experimentally studied the optimization of the hot-C+-ion implantation process for forming nano-SiC (silicon carbide) regions in a (100) Si-on-insulator substrate at various hot-C+-ion implantation temperatures and C+ ion doses to improve photoluminescence (PL) intensity for future Si-based photonic devices. We successfully optimized the process by hot-C+-ion implantation at a temperature of about 700 °C and a C+ ion dose of approximately 4 × 1016 cm-2 to realize a high intensity of PL emitted from an approximately 1.5-nm-thick C atom segregation layer near the surface-oxide/Si interface. Moreover, atom probe tomography showed that implanted C atoms cluster in the Si layer and near the oxide/Si interface; thus, the C content locally condenses even in the C atom segregation layer, which leads to SiC formation. Corrector-spherical aberration transmission electron microscopy also showed that both 4H-SiC and 3C-SiC nanoareas near both the surface-oxide/Si and buried-oxide/Si interfaces partially grow into the oxide layer, and the observed PL photons are mainly emitted from the surface SiC nano areas.

Solar hot spots are still hot

International Nuclear Information System (INIS)

Bai, T.

1990-01-01

Longitude distributions of solar flares are not random but show evidence for active zones (or hot spots) where flares are concentrated. According to a previous study, two hot spots in the northern hemisphere, which rotate with a synodic period of about 26.72 days, produced the majority of major flares, during solar cycles 20 and 21. The more prominent of these two hot spots is found to be still active during the rising part of cycle 22, producing the majority of northern hemisphere major flares. The synodic rotation period of this hot spot is 26.727 + or - 0.007 days. There is also evidence for hot spots in the southern hemisphere. Two hot spots separated by 180 deg are found to rotate with a period of 29.407 days, with one of them having persisted in the same locations during cycles 19-22 and the other, during cycles 20-22. 14 refs

Atom-at-a-time chemistry

International Nuclear Information System (INIS)

Nagame, Yuichiro

2009-01-01

Several techniques of the analytical chemistry in 'Atom-at-a-time chemistry' for transactinide elements have been developed. In this report a representative example in these techniques is introduced with the results. The contents are the single-atom chemistry, the chemical experiments on transactinide elements, liquid phase chemistry (the ion exchange behavior of Rutherfordium), gas phase chemistry (the chemistry of atomic No.112 element), and future development. (M.H.)

Direct determination of cadmium in Orujo spirit samples by electrothermal atomic absorption spectrometry: Comparative study of different chemical modifiers

Energy Technology Data Exchange (ETDEWEB)

Vilar Farinas, M. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain); Barciela Garcia, J. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain); Garcia Martin, S. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain); Pena Crecente, R. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain); Herrero Latorre, C. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain)]. E-mail: cherrero@lugo.usc.es

2007-05-22

In this work, several analytical methods are proposed for cadmium determination in Orujo spirit samples using electrothermal atomic absorption spectrometry (ETAAS). Permanent chemical modifiers thermally coated on the platforms inserted in pyrolytic graphite tubes (such as W, Ir, Ru, W-Ir and W-Ru) were comparatively studied in relation to common chemical modifier mixtures [Pd-Mg(NO{sub 3}){sub 2} and (NH{sub 4})H{sub 2}PO{sub 4}-Mg(NO{sub 3}){sub 2}] for cadmium stabilization. Different ETAAS Cd determination methods based on the indicated modifiers have been developed. In each case, pyrolysis and atomization temperatures, atomization shapes, characteristic masses and detection limits as well as other analytical characteristics have been determined. All the assayed modifiers (permanent and conventional) were capable of achieving the appropriate stabilization of the analyte, with the exception of Ru and W-Ru. Moreover, for all developed methods, recoveries (99-102%) and precision (R.S.D. lower than 10%) were acceptable. Taking into account the analytical performance (best detection limit LOD = 0.01 {mu}g L{sup -1}), the ETAAS method based on the use of W as a permanent modifier was selected for further direct Cd determinations in Orujo samples from Galicia (NW Spain). The chosen method was applied in the determination of the Cd content in 38 representative Galician samples. The cadmium concentrations ranged

Effects of hot rolling and titanium content on the microstructure and mechanical properties of high boron Fe–B alloys

International Nuclear Information System (INIS)

He, Lin; Liu, Ying; Li, Jun; Li, Binghong

2012-01-01

Highlights: ► The content of B is 1.8 wt.% in the high boron Fe–B alloys. ► Hot-rolling improves the mechanical properties, especially the elongation. ► The Ti content affects the microstructure and mechanical properties. ► Eutectic boride can be eliminated when the atomic ratio of Ti/B is no less than 0.5. ► Alloy exhibits balanced mechanical properties when the atomic ratio of Ti/B is 0.5. -- Abstract: High boron Fe–B alloys (1.8 wt.% B) with different titanium contents are fabricated by Vacuum Induction Melting (VIM) technique. The integrated mechanical properties of the as-cast alloys are poor, especially the ductility. In this investigation, hot-rolling technology is used to improve the microstructure and mechanical properties. The microstructure analysis shows that hot rolling can reduce the size and improve the distribution of the reinforcements. The mechanical properties testing indicates that the yield strength is unchanged basically, but the tensile strength and elongation are improved greatly by hot rolling, especially the elongation. The content of titanium also has great effects on the microstructures and mechanical properties of the hot-rolled alloys. For the hot-rolled alloys, with the titanium content increasing, the ultimate tensile strength and yield strength first decrease slightly and then increase. The elongation and impact toughness are improved significantly. In particular, when the atomic ratio of Ti to B is 0.5, the reinforcements are almost entirely TiB 2 and uniformly distributed in the Fe-matrix. The ternary Fe–B–Ti alloy exhibits balanced mechanical properties: yield strength, ultimate tensile strength, elongation and impact toughness are 334 MPa, 602 MPa, 16.2% and 213 kJ/m 2 , respectively.

HOT 2015

DEFF Research Database (Denmark)

Hannibal, Sara Stefansen

2016-01-01

HOT samler og formidler 21 literacykyndiges bud på, hvad der er hot, og hvad der bør være hot inden for literacy – og deres begrundelser for disse bud.......HOT samler og formidler 21 literacykyndiges bud på, hvad der er hot, og hvad der bør være hot inden for literacy – og deres begrundelser for disse bud....

Characterization of hot dense plasma with plasma parameters

Science.gov (United States)

Singh, Narendra; Goyal, Arun; Chaurasia, S.

2018-05-01

Characterization of hot dense plasma (HDP) with its parameters temperature, electron density, skin depth, plasma frequency is demonstrated in this work. The dependence of HDP parameters on temperature and electron density is discussed. The ratio of the intensities of spectral lines within HDP is calculated as a function of electron temperature. The condition of weakly coupled for HDP is verified by calculating coupling constant. Additionally, atomic data such as transition wavelength, excitation energies, line strength, etc. are obtained for Be-like ions on the basis of MCDHF method. In atomic data calculations configuration interaction and relativistic effects QED and Breit corrections are newly included for HDP characterization and this is first result of HDP parameters from extreme ultraviolet (EUV) radiations.

Energy partitioning in elementary chemical processes

Energy Technology Data Exchange (ETDEWEB)

Bersohn, R. [Columbia Univ., New York, NY (United States)

1993-12-01

In the past year research has centered on the decomposition of hot molecules, the reaction of ethynyl radicals with hydrogen molecules and the reaction of oxygen atoms with acetylene. Reaction kinetics studies are reported for each of these systems.

Infrared Absorption Spectroscopy and Chemical Kinetics of Free Radicals

Energy Technology Data Exchange (ETDEWEB)

Curl, Robert F; Glass, Graham

2004-11-01

This research was directed at the detection, monitoring, and study of the chemical kinetic behavior by infrared absorption spectroscopy of small free radical species thought to be important intermediates in combustion. Work on the reaction of OH with acetaldehyde has been completed and published and work on the reaction of O({sup 1}D) with CH{sub 4} has been completed and submitted for publication. In the course of our investigation of branching ratios of the reactions of O({sup 1}D) with acetaldehyde and methane, we discovered that hot atom chemistry effects are not negligible at the gas pressures (13 Torr) initially used. Branching ratios of the reaction of O({sup 1}D) with CH{sub 4} have been measured at a tenfold higher He flow and fivefold higher pressure.

Wet chemical deposition of single crystalline epitaxial manganite thin films with atomically flat surface

International Nuclear Information System (INIS)

Mishra, Amita; Dutta, Anirban; Samaddar, Sayanti; Gupta, Anjan K.

2013-01-01

We report the wet chemical deposition of single crystalline epitaxial thin films of the colossal magneto-resistive manganite La 0.67 Sr 0.33 MnO 3 on the lattice-matched (001)-face of a La 0.3 Sr 0.7 Al 0.65 Ta 0.35 O 3 substrate. Topographic images of these films taken with a scanning tunneling microscope show atomically flat terraces separated by steps of monatomic height. The resistivity of these films shows an insulator-metal transition at 310 K, nearly coincident with the Curie temperature of 340 K, found from magnetization measurements. The films show a magnetoresistance of 7% at 300 K and 1.2 T. Their saturation magnetization value at low temperatures is consistent with that of the bulk. - Highlights: ► Wet chemical deposition of La 0.67 Sr 0.33 MnO 3 (LSMO) on a lattice-matched substrate. ► Single crystalline epitaxial LSMO films obtained. ► Flat terraces separated by monatomic steps observed by scanning tunneling microscope

He-ion and self-atom induced damage and surface-morphology changes of a hot W target

International Nuclear Information System (INIS)

Meyer, F W; Hijazi, H; Bannister, M E; Dadras, J; Krstic, P S; Meyer, H M III; Parish, C M

2014-01-01

We report results of measurements on the evolution of the surface morphology of a hot tungsten surface due to impacting low-energy (80–12 000 eV) He ions and of simulations of damage caused by cumulative bombardment of 1 and 10 keV W self-atoms. The measurements were performed at the ORNL Multicharged Ion Research Facility, while the simulations were done at the Kraken supercomputing facility of the University of Tennessee. At 1 keV, the simulations show strong defect-recombination effects that lead to a saturation of the total defect number after a few hundred impacts, while sputtering leads to an imbalance of the vacancy and interstitial number. On the experimental side, surface morphology changes were investigated over a broad range of fluences, energies and temperatures for both virgin and pre-damaged W-targets. At the lowest accumulated fluences, small surface-grain features and near-surface He bubbles are observed. At the largest fluences, individual grain characteristics disappear in focused ion beam/scanning electron microscopy (FIB/SEM) scans, and the entire surface is covered by a multitude of near-surface bubbles with a broad range of sizes, and disordered whisker growth, while in top-down SEM imaging the surface is virtually indistinguishable from the nano-fuzz produced on linear plasma devices. These features are evident at progressively lower fluences as the He-ion energy is increased. (paper)

Isotopes and atomic weights

International Nuclear Information System (INIS)

Zhang Qinglian

1990-01-01

A review of the chemical and mass spectrometric methods of determining the atomic weights of elements is presented. A, special discussion is devoted to the calibration of the mass spectrometer with highly enriched isotopes. It is illustrated by the recent work on europium. How to choose the candidate element for new atomic weight determination forms the last section of the article

Chemical potential of molecules contrasted to averaged atomic electronegativities: alarming differences and their theoretical rationalization.

Science.gov (United States)

Datta, Dipankar; Shee, Nirmal K; von Szentpály, László

2013-01-10

We present the first large-scale empirical examination of the relation of molecular chemical potentials, μ(0)(mol) = -½(I(0) + A(0))(mol), to the geometric mean (GM) of atomic electronegativities, (GM) = (GM), and demonstrate that μ(0)(mol) ≠ -(GM). Out of 210 molecular μ(0)(mol)values considered more than 150 are not even in the range min{μ(0)(at)} (GM). For this equation the root-mean-square of relative errors amounts to SE = 71%. Our results are at strong variance with Sanderson's electronegativity equalization principle and present a challenge to some popular practice in conceptual density functional theory (DFT). The influences of the "external" potential and charge dependent covalent and ionic binding contributions are discussed and provide the theoretical rationalization for the empirical facts. Support is given to the warnings by Hinze, Bader et al., Allen, and Politzer et al. that equating the chemical potential to the negative of electronegativity may lead to misconceptions.

Trends in exotic-atom research

International Nuclear Information System (INIS)

Lambrecht, R.M.; Horvath, D.

1983-01-01

An attempt was made to analyze the trends in the development of exotic-atom research on the basis of a recently compiled bibliography. The analysis of nearly 4000 publications demonstrated that: (1) exotic atoms are nuclear probes used in every field of physics, from the test of quantum electrodynamics (QED) to chemical physics, to materials sciences; (2) the role of nuclear and atomic physics in exotic atom research is decreasing (although it is still significant), while that of materials sciences and chemial physics is exponentially increasing; and (3) prior to 1980 most investigators were mainly interested in atoms with negative muons, while during the last few years the positive muon (μSR) studies have dominated exotic atom research

An Overt Chemical Protective Garment Reduces Thermal Strain Compared with a Covert Garment in Warm-Wet but Not Hot-Dry Environments

Directory of Open Access Journals (Sweden)

Matthew J. Maley

2017-11-01

Full Text Available Objectives: A commercial chemical, biological, radiological and nuclear (CBRN protective covert garment has recently been developed with the aim of reducing thermal strain. A covert CBRN protective layer can be worn under other clothing, with equipment added for full chemical protection when needed. However, it is unknown whether the covert garment offers any alleviation to thermal strain during work compared with a traditional overt ensemble. Therefore, the aim of this study was to compare thermal strain and work tolerance times during work in an overt and covert ensemble offering the same level of CBRN protection.Methods: Eleven male participants wore an overt (OVERT or covert (COVERT CBRN ensemble and walked (4 km·h−1, 1% grade for a maximum of 120 min in either a wet bulb globe temperature [WBGT] of 21, 30, or 37°C (Neutral, WarmWet and HotDry, respectively. The trials were ceased if the participants' gastrointestinal temperature reached 39°C, heart rate reached 90% of maximum, walking time reached 120 min or due to self-termination.Results: All participants completed 120 min of walking in Neutral. Work tolerance time was greater in OVERT compared with COVERT in WarmWet (P < 0.001, 116.5[9.9] vs. 88.9[12.2] min, respectively, though this order was reversed in HotDry (P = 0.003, 37.3[5.3] vs. 48.4[4.6] min, respectively. The rate of change in mean body temperature and mean skin temperature was greater in COVERT (0.025[0.004] and 0.045[0.010]°C·min−1, respectively compared with OVERT (0.014[0.004] and 0.027[0.007]°C·min−1, respectively in WarmWet (P < 0.001 and P = 0.028, respectively. However, the rate of change in mean body temperature and mean skin temperature was greater in OVERT (0.068[0.010] and 0.170[0.026]°C·min−1, respectively compared with COVERT (0.059[0.004] and 0.120[0.017]°C·min−1, respectively in HotDry (P = 0.002 and P < 0.001, respectively. Thermal sensation, thermal comfort, and ratings of perceived

Mechanism of waste biomass pyrolysis: Effect of physical and chemical pre-treatments

International Nuclear Information System (INIS)

Das, Oisik; Sarmah, Ajit K.

2015-01-01

To impart usability in waste based biomass through thermo-chemical reactions, several physical and chemical pre-treatments were conducted to gain an insight on their mode of action, effect on the chemistry and the change in thermal degradation profiles. Two different waste biomasses (Douglas fir, a softwood and hybrid poplar, a hardwood) were subjected to four different pre-treatments, namely, hot water pre-treatment, torrefaction, acid (sulphuric acid) and salt (ammonium phosphate) doping. Post pre-treatments, the changes in the biomass structure, chemistry, and thermal makeup were studied through electron microscopy, atomic absorption/ultra violet spectroscopy, ion exchange chromatography, and thermogravimetry. The pre-treatments significantly reduced the amounts of inorganic ash, extractives, metals, and hemicellulose from both the biomass samples. Furthermore, hot water and torrefaction pre-treatment caused mechanical disruption in biomass fibres leading to smaller particle sizes. Torrefaction of Douglas fir wood yielded more solid product than hybrid poplar. Finally, the salt pre-treatment increased the activation energies of the biomass samples (especially Douglas fir) to a great extent. Thus, salt pre-treatment was found to bestow thermal stability in the biomass. - Highlights: • Pre-treatments reduce ash, extractives, alkalines and hemicellulose from biomass. • Torrefaction of Douglas fir yields more solid product than hybrid poplar. • Salt pretreatment significantly increases the activation energy of biomass. • Acid and salt pretreatment bestows thermal stability in biomass.

Mechanism of waste biomass pyrolysis: Effect of physical and chemical pre-treatments

Energy Technology Data Exchange (ETDEWEB)

Das, Oisik [Department of Biological Systems Engineering, Washington State University, Pullman 99164-6120, WA (United States); Department of Civil and Environmental Engineering, University of Auckland, Auckland 1142 (New Zealand); Sarmah, Ajit K., E-mail: a.sarmah@auckland.ac.nz [Department of Civil and Environmental Engineering, University of Auckland, Auckland 1142 (New Zealand)

2015-12-15

To impart usability in waste based biomass through thermo-chemical reactions, several physical and chemical pre-treatments were conducted to gain an insight on their mode of action, effect on the chemistry and the change in thermal degradation profiles. Two different waste biomasses (Douglas fir, a softwood and hybrid poplar, a hardwood) were subjected to four different pre-treatments, namely, hot water pre-treatment, torrefaction, acid (sulphuric acid) and salt (ammonium phosphate) doping. Post pre-treatments, the changes in the biomass structure, chemistry, and thermal makeup were studied through electron microscopy, atomic absorption/ultra violet spectroscopy, ion exchange chromatography, and thermogravimetry. The pre-treatments significantly reduced the amounts of inorganic ash, extractives, metals, and hemicellulose from both the biomass samples. Furthermore, hot water and torrefaction pre-treatment caused mechanical disruption in biomass fibres leading to smaller particle sizes. Torrefaction of Douglas fir wood yielded more solid product than hybrid poplar. Finally, the salt pre-treatment increased the activation energies of the biomass samples (especially Douglas fir) to a great extent. Thus, salt pre-treatment was found to bestow thermal stability in the biomass. - Highlights: • Pre-treatments reduce ash, extractives, alkalines and hemicellulose from biomass. • Torrefaction of Douglas fir yields more solid product than hybrid poplar. • Salt pretreatment significantly increases the activation energy of biomass. • Acid and salt pretreatment bestows thermal stability in biomass.

Plasmon-driven sequential chemical reactions in an aqueous environment.

Science.gov (United States)

Zhang, Xin; Wang, Peijie; Zhang, Zhenglong; Fang, Yurui; Sun, Mengtao

2014-06-24

Plasmon-driven sequential chemical reactions were successfully realized in an aqueous environment. In an electrochemical environment, sequential chemical reactions were driven by an applied potential and laser irradiation. Furthermore, the rate of the chemical reaction was controlled via pH, which provides indirect evidence that the hot electrons generated from plasmon decay play an important role in plasmon-driven chemical reactions. In acidic conditions, the hot electrons were captured by the abundant H(+) in the aqueous environment, which prevented the chemical reaction. The developed plasmon-driven chemical reactions in an aqueous environment will significantly expand the applications of plasmon chemistry and may provide a promising avenue for green chemistry using plasmon catalysis in aqueous environments under irradiation by sunlight.

Three Packets of Minerals of the Periodic Table of Chemical Elements and Chemical Compounds

OpenAIRE

Labushev, Mikhail M.

2013-01-01

The concepts of alpha- and beta-packets of the periodic table of chemical elements and chemical compounds are defined. The first of the 47 minerals alpha-packets is composed. In it all minerals are arranged in increasing Iav index of proportionality of atomic weights of composing chemical elements, the same way as chemical elements are located in increasing atomic weights in the Periodic table. The packet includes 93 known minerals and two compounds - N2O5 and CO2 - being actually minerals. B...

HotRegion: a database of predicted hot spot clusters.

Science.gov (United States)

Cukuroglu, Engin; Gursoy, Attila; Keskin, Ozlem

2012-01-01

Hot spots are energetically important residues at protein interfaces and they are not randomly distributed across the interface but rather clustered. These clustered hot spots form hot regions. Hot regions are important for the stability of protein complexes, as well as providing specificity to binding sites. We propose a database called HotRegion, which provides the hot region information of the interfaces by using predicted hot spot residues, and structural properties of these interface residues such as pair potentials of interface residues, accessible surface area (ASA) and relative ASA values of interface residues of both monomer and complex forms of proteins. Also, the 3D visualization of the interface and interactions among hot spot residues are provided. HotRegion is accessible at http://prism.ccbb.ku.edu.tr/hotregion.

Neutron activation analysis of the rare earth elements in Nasu hot springs

International Nuclear Information System (INIS)

Ikeda, Nagao; Takahashi, Naruto.

1978-01-01

Eleven rare earth elements (lanthanum, cerium, neodymium, samarium, europium, gadolinium, terbium, holmium, thulium, ytterbium and lutetium) in hot spring waters and sinter deposits in the Nasu area were determined by the neutron activation method. The rare earth elements in hot spring water were preconcentrated in ferric hydroxide precipitate and neutron-irradiated. The rare earth elements were chemically separated into lighter and heavier groups and the activity of each group was measured with a Ge(Li) detector. Distribution of the rare earth elements between the hot spring water and the sinter deposit was also discussed. (auth.)

Thermal performance test of hot gas ducts of helium engineering demonstration loop (HENDEL)

International Nuclear Information System (INIS)

Hishida, Makoto; Kunitomi, Kazuhiko; Ioka, Ikuo; Umenishi, Koji; Kondo, Yasuo; Tanaka, Toshiyuki; Shimomura, Hiroaki

1984-01-01

A hot gas duct provided with internal thermal insulation is supposed to be used for an experimental very high-temperature gas-cooled reactor (VHTR) which has been developed by the Japan Atomic Energy Research Institute (JAERI). This type of hot gas duct has not been used so far in industrial facilities, and only a couple of tests on such a large-scale model of hot gas duct have been conducted. The present test was to investigate the thermal performance of the hot gas ducts which are installed as parts of a helium engineering demonstration loop (HENDEL) of JAERI. Uniform temperature and heat flux distributions at the surface of the duct were observed, the experimental correlation being obtained for the effective thermal conductivity of the internal thermal insulation layer. The measured temperature distribution of the pressure tube was in good agreement with the calculation by a TRUMP heat transfer computer code. The temperature distribution of the inner tube of VHTR hot gas duct was evaluated, and no hot spot was detected. These results would be very valuable for the design and development of VHTR. (author)

The role of hadron resonances in hot hadronic matter

Energy Technology Data Exchange (ETDEWEB)

Goity, Jose [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Hampton Univ., Hampton, VA (United States)

2017-02-01

Hadron resonances can play a significant role in hot hadronic matter. Of particular interest for this workshop are the contributions of hyperon resonances. The question about how to quantify the effects of resonances is here addressed. In the framework of the hadron resonance gas, the chemically equilibrated case, relevant in the context of lattice QCD calculations, and the chemically frozen case relevant in heavy ion collisions are discussed.

Determination of iron in seawater by electrothermal atomic absorption spectrometry and atomic fluorescence spectrometry: A comparative study

International Nuclear Information System (INIS)

Cabon, J.Y.; Giamarchi, P.; Le Bihan, A.

2010-01-01

Two methods available for direct determination of total Fe in seawater at low concentration level have been examined: electrothermal atomization atomic absorption spectrometry (ETAAS) and electrothermal atomization laser excited atomic fluorescence spectrometry (ETA-LEAFS). In a first part, we have optimized experimental conditions of ETAAS (electrothermal program, matrix chemical modification) for the determination of Fe in seawater by minimizing the chemical interference effects and the magnitude of the simultaneous background absorption signal. By using the best experimental conditions, a detection limit of 80 ng L -1 (20 μL, 3σ) for total Fe concentration was obtained by ETAAS. Using similar experimental conditions (electrothermal program, chemical modification), we have optimized experimental conditions for the determination of Fe by LEAFS. The selected experimental conditions for ETA-LEAFS: excitation wavelength (296.69 nm), noise attenuation and adequate background correction led to a detection limit (3σ) of 3 ng L -1 (i.e. 54 pM) for total Fe concentration with the use a 20 μL seawater sample. For the two methods, concentration values obtained for the analysis of Fe in a NASS-5 (0.2 μg L -1 ) seawater sample were in good agreement with the certified values.

Theoretical study of adsorption of lithium atom on carbon nanotube

Directory of Open Access Journals (Sweden)

Masato Senami

2011-12-01

Full Text Available We investigate the adsorption of lithium atoms on the surface of the (12,0 single wall carbon nanotube (SWCNT by using ab initio quantum chemical calculations. The adsorption of one lithium atom on the inside of this SWCNT is favored compared to the outside. We check this feature by charge transfer and regional chemical potential density. The adsorption of multiple lithium atoms on the interior of the SWCNT is studied in terms of adsorption energy and charge transfer. We show that repulsive force between lithium atoms destabilizes a system for the large number of lithium atoms.

Hot cell renovation in the spent fuel conditioning process facility at the Korea Atomic Energy Research Institute

Directory of Open Access Journals (Sweden)

Seung Nam Yu

2015-10-01

Results and conclusion: Based on the considered refurbishment workflow, previous equipment in the M8 cell, including vessels and pipes, were removed and disposed of successfully after a zoning smear survey and decontamination, and new equipment with advanced functions and specifications were installed in the hot cell. Finally, the operating area and isolation room were also refurbished to meet the requirements of the improved hot cell facility.

Effect of local atomic and electronic structures on thermoelectric properties of chemically substituted CoSi

Science.gov (United States)

Hsu, C. C.; Pao, C. W.; Chen, J. L.; Chen, C. L.; Dong, C. L.; Liu, Y. S.; Lee, J. F.; Chan, T. S.; Chang, C. L.; Kuo, Y. K.; Lue, C. S.

2014-05-01

We report the effects of Ge partial substitution for Si on local atomic and electronic structures of thermoelectric materials in binary compound cobalt monosilicides (\\text{CoSi}_{1-x}\\text{Ge}_{x}\\text{:}\\ 0 \\le x \\le 0.15 ). Correlations between local atomic/electronic structure and thermoelectric properties are investigated by means of X-ray absorption spectroscopy. The spectroscopic results indicate that as Ge is partially substituted onto Si sites at x \\le 0.05 , Co in CoSi1-xGex gains a certain amount of charge in its 3d orbitals. Contrarily, upon further replacing Si with Ge at x \\ge 0.05 , the Co 3d orbitals start to lose some of their charge. Notably, thermopower is strongly correlated with charge redistribution in the Co 3d orbital, and the observed charge transfer between Ge and Co is responsible for the variation of Co 3d occupancy number. In addition to Seebeck coefficient, which can be modified by tailoring the Co 3d states, local lattice disorder may also be beneficial in enhancing the thermoelectric properties. Extended X-ray absorption fine structure spectrum results further demonstrate that the lattice phonons can be enhanced by Ge doping, which results in the formation of the disordered Co-Co pair. Improvements in the thermoelectric properties are interpreted based on the variation of local atomic and electronic structure induced by lattice distortion through chemical substitution.

Molecular invariants: atomic group valence

International Nuclear Information System (INIS)

Mundim, K.C.; Giambiagi, M.; Giambiagi, M.S. de.

1988-01-01

Molecular invariants may be deduced in a very compact way through Grassman algebra. In this work, a generalized valence is defined for an atomic group; it reduces to the Known expressions for the case of an atom in a molecule. It is the same of the correlations between the fluctions of the atomic charges qc and qd (C belongs to the group and D does not) around their average values. Numerical results agree with chemical expectation. (author) [pt

The use of atomic force microscopy to evaluate warm mix asphalt.

Science.gov (United States)

2013-01-01

The main objective of this study was to use the Atomic Force Microscopy (AFM) to examine the moisture susceptibility : and healing characteristics of Warm Mix Asphalt (WMA) and compare it with those of conventional Hot Mix Asphalt (HMA). To : this en...

Highly sensitive fiber grating chemical sensors: An effective alternative to atomic absorption spectroscopy

Science.gov (United States)

Laxmeshwar, Lata. S.; Jadhav, Mangesh S.; Akki, Jyoti. F.; Raikar, Prasad; Kumar, Jitendra; prakash, Om; Raikar, U. S.

2017-06-01

Accuracy in quantitative determination of trace elements like Zinc, present in drinking water in ppm level, is a big challenge and optical fiber gratings as chemical sensors may provide a promising solution to overcome the same. This paper presents design of two simple chemical sensors based on the principle of shift in characteristic wavelength of gratings with change in their effective refractive index, to measure the concentration of Zinc in drinking water using etched short period grating (FBG) and Long period grating (LPG) respectively. Three samples of drinking water from different places have been examined for presence of Zinc. Further, the results obtained by our sensors have also been verified with the results obtained by a standard method, Atomic absorption spectroscopy (AAS). The whole experiment has been performed by fixing the fibers in a horizontal position with the sensor regions at the center of the fibers, making it less prone to disturbance and breaking. The sensitivity of LPG sensor is about 205 times that of the FBG sensor. A few advantages of Fiber grating sensors, besides their regular features, over AAS have also been discussed, that make our sensors potential alternatives for existing techniques in determination of trace elements in drinking water.

The effect of hot water injection on sandstone permeability

DEFF Research Database (Denmark)

Rosenbrand, Esther; Haugwitz, Christian; Jacobsen, Peter Sally Munch

2014-01-01

Seasonal energy storage can be achieved by hot water injection in geothermal sandstone aquifers. We present an analysis of literature data in combination with new short-term flow through permeability experiments in order to address physical and physico-chemical mechanisms that can alter...

Multipurpose reprocessing hot cell

International Nuclear Information System (INIS)

Fletcher, R.D.

1975-01-01

A multipurpose hot cell is being designed for use at the Idaho Chemical Processing Plant for handling future scheduled fuels that cannot be adequately handled by the existing facilities and equipment. In addition to providing considerable flexibility to handle a wide variety of fuel sizes up to 2,500 lb in weight the design will provide for remote maintenance or replacement of the in-cell equipment with a minimum of exposure to personnel and also provide process piping connections for custom processing of small quantities of fuel. (auth)

Hot Corrosion of Single-Crystal NiAl-X Alloys

Science.gov (United States)

Nesbitt, James A.

1998-01-01

Several single-crystal NiAl-X alloys (X=Hf, Ti, Cr, Ga) underwent hot corrosion testing in a Mach 0.3 burner rig at 900 deg. C for 300 1-hr cycles. The surface morphology after testing consisted of either mounds or an inward, uniform-type of attack which preserved surface features. It was observed that the surface morphology was affected by the surface preparation treatments. Microstructurally, the hot corrosion attack initiated as pits but evolved to a rampant attack consisting of the rapid inward growth of Al2O3. Electropolishing and chemical milling produced many pits and grooves on the surface. However, the presence of pits and grooves did not appear to strongly influence the hot corrosion response. Attack on many samples was strongly localized which was attributed to compositional inhomogeneity within the samples. It was found that increasing the Ti content from 1% to 5 % degraded the hot corrosion response of these alloys. In contrast, the addition of 1-2% Cr reduced the susceptibility of these alloys to hot corrosion attack and negated the deleterious effect of the 4-5% Ti addition.

Effect of surface pretreatment on interfacial chemical bonding states of atomic layer deposited ZrO2 on AlGaN

International Nuclear Information System (INIS)

Ye, Gang; Arulkumaran, Subramaniam; Ng, Geok Ing; Li, Yang; Ang, Kian Siong; Wang, Hong; Ng, Serene Lay Geok; Ji, Rong; Liu, Zhi Hong

2015-01-01

Atomic layer deposition (ALD) of ZrO 2 on native oxide covered (untreated) and buffered oxide etchant (BOE) treated AlGaN surface was analyzed by utilizing x-ray photoelectron spectroscopy (XPS) and high-resolution transmission electron microscopy. Evidenced by Ga–O and Al–O chemical bonds by XPS, parasitic oxidation during deposition is largely enhanced on BOE treated AlGaN surface. Due to the high reactivity of Al atoms, more prominent oxidation of Al atoms is observed, which leads to thicker interfacial layer formed on BOE treated surface. The results suggest that native oxide on AlGaN surface may serve as a protecting layer to inhibit the surface from further parasitic oxidation during ALD. The findings provide important process guidelines for the use of ALD ZrO 2 and its pre-ALD surface treatments for high-k AlGaN/GaN metal–insulator–semiconductor high electron mobility transistors and other related device applications

A Java Chemical Structure Editor Supporting the Modular Chemical Descriptor Language (MCDL

Directory of Open Access Journals (Sweden)

Andrei A. Gakh

2006-03-01

Full Text Available A compact Modular Chemical Descriptor Language (MCDL chemical structure editor (Java applet is described. The small size (approximately 200 KB of the applet allows its use to display and edit chemical structures in various Internet applications. The editor supports the MCDL format, in which structures are presented in compact canonical form and is capable of restoring bond orders as well as of managing atom and bond drawing overlap. A small database of cage and large cyclic fragment is used for optimal representation of difficult-to-draw molecules. The improved algorithm of the structure diagram generation can be used for other chemical notations that lack atomic coordinates (SMILES, InChI.

Formation of Neutral Disk-Like Zone Around the Active Hot Stars in Symbiotic Binaries

Directory of Open Access Journals (Sweden)

Cariková Z.

2012-06-01

Full Text Available In this contribution we present the ionization structure in the enhanced wind from the hot star in symbiotic binaries during active phases. Rotation of the hot star leads to the compression of the outflowing material towards its equatorial plane. As a result, a neutral disk-like zone around the active hot star near the orbital plane is created. We modeled the compression of the wind and calculated the neutral disk-like zone in the enhanced wind from the hot star using the equation of the photoionization equilibrium. the presence of such neutral disk-like zones was also suggested on the basis of the modeling the spectral energy distribution of symbiotic binaries. We confront the calculated ionization structures in the enhanced wind from the hot star with the observations. the calculated column density of the neutral hydrogen atoms in the neutral disk-like zone and the emission measure of the ionized part of the wind from the hot star are in a good agreement with the quantities derived from observations during active phases. the presence of such neutral disk-like zones is transient, being connected with the active phases of symbiotic binaries. During quiescent phases, such neutral disk-like zones cannot be created because of insufficient mass-loss rate from the hot star.

Effects of substrates on biofilm formation observed by atomic force microscopy

International Nuclear Information System (INIS)

Oh, Y.J.; Lee, N.R.; Jo, W.; Jung, W.K.; Lim, J.S.

2009-01-01

Formation of biofilm is known to be strongly dependent on substrates including topography, materials, and chemical treatment. In this study, a variety of substrates are tested for understanding biofilm formation. Sheets of aluminum, steel, rubber, and polypropylene have been used to examine their effects on formation of Pseudomonas aeruginosa biofilm. In particular, the morphological variation, transition, and adhesiveness of biofilm were investigated through local measurement by atomic force microscopy (AFM). Mechanism of removing biofilm from adhering to substrate is also analyzed, thus the understanding of the mechanism can be potentially useful to prevent the biofilm formation. The results reveal that formation of biofilm can remain on rough surface regardless of substrates in hot water, which may easily induce extra-polymeric substances detachment from bacterial surface. By probing using AFM, local force-distance characterization of extra-cellular materials extracted from the bacteria can exhibit the progress of the biofilm formation and functional complexities.

Standard practices for dissolving glass containing radioactive and mixed waste for chemical and radiochemical analysis

CERN Document Server

American Society for Testing and Materials. Philadelphia

2000-01-01

1.1 These practices cover techniques suitable for dissolving glass samples that may contain nuclear wastes. These techniques used together or independently will produce solutions that can be analyzed by inductively coupled plasma atomic emission spectroscopy (ICP-AES), inductively coupled plasma mass spectrometry (ICP-MS), atomic absorption spectrometry (AAS), radiochemical methods and wet chemical techniques for major components, minor components and radionuclides. 1.2 One of the fusion practices and the microwave practice can be used in hot cells and shielded hoods after modification to meet local operational requirements. 1.3 The user of these practices must follow radiation protection guidelines in place for their specific laboratories. 1.4 Additional information relating to safety is included in the text. 1.5 The dissolution techniques described in these practices can be used for quality control of the feed materials and the product of plants vitrifying nuclear waste materials in glass. 1.6 These pr...

Barium transport in the hot spot region of fluorescent lamps

International Nuclear Information System (INIS)

Sigeneger, F; Rackow, K; Uhrlandt, D; Ehlbeck, J; Lieder, G

2010-01-01

The transport of barium atoms and ions in the vicinity of the hot spot in fluorescent lamps operating at 25 kHz is investigated by a combined experimental and theoretical approach. By laser-induced fluorescence, the particle densities of barium atoms and ions were measured time-resolved at different distances from the spot centre. In addition, the time-dependent cathode fall voltage was measured using an improved band method. The model combines a kinetic part for the electrons with a fluid part for the barium atoms and ions. Both parts are spatially resolved in spherically symmetric geometry. The space-dependent electron Boltzmann equation yields the electron density and the ionization rate coefficient of barium as functions of the cathode fall voltage. These results are used to solve the time-dependent particle balance equations of barium atoms and ions which include the ionization of barium as gain and loss terms, respectively. Good agreement between the measured and calculated particle densities of barium atoms is obtained. A sensitive dependence of the ionization frequency and of the barium particle densities on the cathode fall voltage was found.

Determination of iron in seawater by electrothermal atomic absorption spectrometry and atomic fluorescence spectrometry: a comparative study.

Science.gov (United States)

Cabon, J Y; Giamarchi, P; Le Bihan, A

2010-04-07

Two methods available for direct determination of total Fe in seawater at low concentration level have been examined: electrothermal atomization atomic absorption spectrometry (ETAAS) and electrothermal atomization laser excited atomic fluorescence spectrometry (ETA-LEAFS). In a first part, we have optimized experimental conditions of ETAAS (electrothermal program, matrix chemical modification) for the determination of Fe in seawater by minimizing the chemical interference effects and the magnitude of the simultaneous background absorption signal. By using the best experimental conditions, a detection limit of 80 ng L(-1) (20 microL, 3sigma) for total Fe concentration was obtained by ETAAS. Using similar experimental conditions (electrothermal program, chemical modification), we have optimized experimental conditions for the determination of Fe by LEAFS. The selected experimental conditions for ETA-LEAFS: excitation wavelength (296.69 nm), noise attenuation and adequate background correction led to a detection limit (3sigma) of 3 ng L(-1) (i.e. 54 pM) for total Fe concentration with the use a 20 microL seawater sample. For the two methods, concentration values obtained for the analysis of Fe in a NASS-5 (0.2 microg L(-1)) seawater sample were in good agreement with the certified values. Copyright 2010 Elsevier B.V. All rights reserved.

Hot subluminous stars: On the Search for Chemical Signatures of their Genesis

Science.gov (United States)

Hirsch, Heiko Andreas

2009-10-01

This thesis deals with the hot subluminous stars of spectral class O. Although the name suggests otherwise, these stars are still 10 to 1000 times more luminous than the sun, they emit most of their radiation energy in the ultraviolet range. First stars of this type have been categorized in the 1950ies. Since they are blue objects like Quasars they often are discovered in surveys at high Galactic latitudes aiming at Quasars and other extragalactic objects. The hot subluminous stars can be divided into two classes, the subluminous O and subluminous B stars, or short sdO and sdB. The sdOs and sdBs play an important role in astronomy, as many old stellar populations, e.g. globular clusters and elliptical galaxies, have strong UV fluxes. UV bright regions often are "stellar nurseries", where new stars are born. Globular clusters and elliptical galaxies, however, do not experience star formation. This UV excess can be explained by population models that include the hot subluminous stars. Many sdB stars show short-period, multiperiodic light variations, which are due to radial and nonradial pulsations. Asteroseismology can explore the inner structure of stars and estimate e.g. the stellar mass, a variable that can only determine in very lucky circumstances (eclipsing binaries). These stars are also important for cosmology because they qualify as supernova Ia progenitors. The nature of the sdO stars is less well understood than that of their cooler and more numerous siblings, the sdBs. The connection of the sdBs to the horizontal branch is established for many years now, accordingly they are old helium core burning objects after their red giant phase. More precisely, they are on the extended horizontal branch (EHB), the hot end of the horizontal branch. EHB stars are characterized by a very low envelope mass, i.e. we see more or less directly the hot helium burning core. Strong mass loss in the RGB phase is regarded as responsible for this phenomenon, the exact mechanism

Composition and conductance distributions of single GeSi quantum rings studied by conductive atomic force microscopy combined with selective chemical etching.

Science.gov (United States)

Lv, Y; Cui, J; Jiang, Z M; Yang, X J

2013-02-15

Atomic force microscopy imaging combined with selective chemical etching is employed to quantitatively investigate three-dimensional (3D) composition distributions of single GeSi quantum rings (QRs). In addition, the 3D quantitative composition distributions and the corresponding conductance distributions are simultaneously obtained on the same single GeSi QRs by conductive atomic force microscopy combined with selective chemical etching, allowing us to investigate the correlations between the conductance and composition distributions of single QRs. The results show that the QRs' central holes have higher Ge content, but exhibit lower conductance, indicating that the QRs' conductance distribution is not consistent with their composition distribution. By comparing the topography, composition and conductance profiles of the same single QRs before and after different etching processes, it is found that the conductance distributions of GeSi QRs do not vary with the change of composition distribution. Instead, the QRs' conductance distributions are found to be consistent with their topographic shapes, which can be supposed to be due to the shape determined electronic structures.

Role of hydrogen in the chemical vapor deposition growth of MoS2 atomic layers

Science.gov (United States)

Li, Xiao; Li, Xinming; Zang, Xiaobei; Zhu, Miao; He, Yijia; Wang, Kunlin; Xie, Dan; Zhu, Hongwei

2015-04-01

Hydrogen plays a crucial role in the chemical vapor deposition (CVD) growth of graphene. Here, we have revealed the roles of hydrogen in the two-step CVD growth of MoS2. Our study demonstrates that hydrogen acts as the following: (i) an inhibitor of the thermal-induced etching effect in the continuous film growth process; and (ii) a promoter of the desulfurization reaction by decreasing the S/Mo atomic ratio and the oxidation reaction of the obtained MoSx (0 desulfurization reaction by decreasing the S/Mo atomic ratio and the oxidation reaction of the obtained MoSx (0 < x < 2) films. A high hydrogen content of more than 100% in argon forms nano-sized circle-like defects and damages the continuity and uniformity of the film. Continuous MoS2 films with a high crystallinity and a nearly perfect S/Mo atomic ratio were finally obtained after sulfurization annealing with a hydrogen content in the range of 20%-80%. This insightful understanding reveals the crucial roles of hydrogen in the CVD growth of MoS2 and paves the way for the controllable synthesis of two-dimensional materials. Electronic supplementary information (ESI) available: Low-magnification optical images; Raman spectra of 0% and 5% H2 samples; AFM characterization; Schematic of the film before and after sulfurization annealing; Schematic illustrations of two typical Raman-active phonon modes (E12g, A1g); Raman (mapping) spectra for 40% and 80% H2 samples before and after sulfurization annealing; PL spectra. See DOI: 10.1039/c5nr00904a

HOT 2012

DEFF Research Database (Denmark)

Lund, Henriette Romme

Undersøgelse af, hvad der er hot - og hvad der burde være hot på læseområdet med 21 læsekyndige. Undersøgelsen er gennemført siden 2010. HOT-undersøgelsen er foretaget af Nationalt Videncenter for Læsning - Professionshøjskolerne i samarb. med Dansklærerforeningen......Undersøgelse af, hvad der er hot - og hvad der burde være hot på læseområdet med 21 læsekyndige. Undersøgelsen er gennemført siden 2010. HOT-undersøgelsen er foretaget af Nationalt Videncenter for Læsning - Professionshøjskolerne i samarb. med Dansklærerforeningen...

Chemical behaviors of tritium formed in a LiF-BeF2 mixture and its removal from a molten mixture

International Nuclear Information System (INIS)

Oishi, J.; Moriyama, H.; Maeda, S.; Ohmura, T.; Moritani, K.

1987-01-01

Chemical behaviors of tritium formed in a LiF-BeF 2 mixture were studied using a radiometric method. Most of tritium was found to be present in the T + and T - states under no thermal treatment. The distribution of tritium in chemical states was explained by considering hot atom reactions and radiation chemical reactions. Tritium behaviors in a molten LiF-BeF 2 mixture were also studied at 873 K. In the presence of hydrogen, the isotopic exchange reaction which is TF + H 2 → HT + HF was observed to occur probably in the salt phase. The removal of tritium in a molten LiF-BeF 2 mixture was tried by sparging a gas in a melt for tritium purge, and the effects of the composition of purge gas and of the construction material of crucibles containing the melt on the removal rate were observed. (author)

Change in color of the hot spring deposits at the Chinoike-Jigoku hot pool, Beppu geothermal field

Energy Technology Data Exchange (ETDEWEB)

Kazuthoshi, Oue; Ohsawa, Shinji; Yusa, Yuki [Kyoto University, Beppu (Japan). Beppu Geothermal Research Laboratory, Graduate School of Science

2002-06-01

The Chinoike-Jigoku hot pool in Beppu geothermal field, Central Kyushu, Japan, displays a blood-red color due to the hematite (Fe{sub 2}O{sub 3}) deposited at the bottom of the pool. The colors of the deposits collected on 1 October 1990, on 27 March 1995, and on 6 March 1996 were measured with a colorimeter. The results show that the red deposits became yellower in 1995 and 1996 than they were in 1990. X-ray diffraction (XRD) patterns and chemical compositions of the deposits indicate that the discoloration of the Chinoike-Jigoku pool water is caused by an increase in the content of jarosite [KFe{sub 3}(SO{sub 4}){sub 2}(OH){sub 6}]. The temperature of the subsurface thermal water beneath the Chinoike-Jigoku hot pool, as estimated by the anhydrite chemical geothermometer, has declined from 200 to 150{sup o}C over the past 25 years. The Na and Cl concentrations of the hot spring water discharging from Chinoike-Jigoku have decreased, while the SO{sub 4} concentration has increased. The temporal variations in subsurface temperature and dissolved ion concentrations suggest that the mixing ratio between the high-temperature, neutral Na-Cl type water and the relatively low-temperature, acid H-SO{sub 4} type water that form the thermal water of Chinoike-Jigoku has changed over the last 25 years. Hydrothermal studies of jarosite stability have confirmed that the increase in jarosite content in the deposits was caused by a temperature drop of the mixed thermal water beneath Chinoike-Jigoku pool, due to an increase in the contribution of the cooler H-SO{sub 4} water type to the thermal mixture. (author)

Atomic resolution imaging of ferroelectric domains

International Nuclear Information System (INIS)

Bursill, L.A.

1997-01-01

Electron optical principles involved in obtaining atomic resolution images of ferroelectric domains are reviewed, including the methods available to obtain meaningful interpretation and analysis of the image detail in terms of the atomic structures. Recent work is concerned with establishing the relationship between the essentially static chemical nanodomains and the spatial and temporal fluctuations of the nanoscale polar domains present in the relaxor class of materials, including lead scandium tantalate (PST) and lead magnesium niobate (PMN). Correct interpretation of the images required use of Next Nearest Neighbour Ising model simulations for the chemical domain textures upon which we must superimpose the polar domain textures; an introduction to this work is presented. A thorough analysis of the atomic scale chemical inhomogeneities, based upon the HRTEM results, has lead to an improved formulation of the theory of the dielectric response of PMN and PST, which is capable to predict the observed temperature and frequency dependence. HRTEM may be combined with solid state and statistical physics principles to provide a deeper understanding of structure/property relationships. 15 refs., 6 figs

Reaction of hydrogen atoms produced by radiolysis and photolysis in solid phase at 4 and 77 K

International Nuclear Information System (INIS)

Miyazaki, Tetsuo

1991-01-01

The behavior of H atoms in the solid phase has been reviewed with special attention to comparison of H atoms produced by radiolysis with those produced by photolysis. The paper consists of three parts. I -Production of H atoms: (1) the experimental results which indicate H-atom formation in the radiolysis of solid alkane are summarized; (2) ESR saturation behavior of trapped H atoms depends upon the method of H-atom-production, i.e. photolysis or radiolysis, and upon the initial energy of H atoms in the photolysis. II - Diffusion of H atoms: (1) activation energies for thermally-activated diffusion of H atoms are shown; (2) quantum diffusion of H atoms in solid H 2 is explained in terms of repetition of tunneling reaction H 2 + H → H + H 2 . III -Reaction of H atoms: (1) reactions and trapping processes of hot H atoms have been shown in solid methane and argon by use of hot H atoms with specified initial energy; (2) when H atoms are produced by the radiolysis of solvent alkane or by the photolysis of HI in the alkane mixtures at 77 K, the H atoms react very selectively with solute alkane at low concentration. The selective reaction of the H atom has been found in eight matrices; (3) activation energy for a hydrogen-atom-abstraction reaction by thermal H atoms at low temperatures is less than than several kJ mol -1 because of quantum tunneling. The absolute rate constants for H 2 (D 2 , HD) + H(D) tunneling reactions have been determined experimentally in solid hydrogen at 4.2K; (4) theoretical studies for tunneling reactions H 2 (D 2 ,HD) + H(D) at ultralow temperatures were reviewed. The calculated rate constants were compared with the rate constants obtained experimentally. (author)

Hot-Gas Filter Ash Characterization Project

Energy Technology Data Exchange (ETDEWEB)

Swanson, M.L.; Hurley, J.P.; Dockter, B.A.; O`Keefe, C.A.

1997-07-01

Large-scale hot-gas filter testing over the past 10 years has revealed numerous cases of cake buildup on filter elements that has been difficult, if not impossible, to remove. At times, the cake can blind or bridge between candle filters, leading to filter failure. Physical factors, including particle-size distribution, particle shape, the aerodynamics of deposition, and system temperature, contribute to the difficulty in removing the cake, but chemical factors such as surface composition and gas-solid reactions also play roles in helping to bond the ash to the filters or to itself. This project is designed to perform the research necessary to determine the fuel-, sorbent-, and operations-related conditions that lead to blinding or bridging of hot-gas particle filters. The objectives of the project are threefold: (1) Determine the mechanisms by which a difficult-to-clean ash is formed and how it bridges hot-gas filters (2) Develop a method to determine the rate of bridging based on analyses of the feed coal and sorbent, filter properties, and system operating conditions and (3) Suggest and test ways to prevent filter bridging.

Calcium Atom Trap for Atom Trap Mass Spectrometer

Energy Technology Data Exchange (ETDEWEB)

Ko, Kwang Hoon; Park, Hyun Min; Han, Jae Min; Kim, Taek Soo; Cha, Yong Ho; Lim, Gwon; Jeong, Do Young [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2012-05-15

Trace isotope analysis has been an important role in science, archaeological dating, geology, biology and nuclear industry. Artificially produced fission products such as Sr-90, Cs-135 and Kr-85 can be released to the environment when nuclear accident occurs and the reprocessing factory operates. Thus, the analysis of them has been of interest in nuclear industry. But it is difficult to detect them due to low natural abundance less then 10-10. The ultra-trace radio isotopes have been analyzed by the radio-chemical method, accelerator mass spectrometer, and laser based method. The radiochemical method has been used in the nuclear industry. But this method has disadvantages of long measurement time for long lived radioisotopes and toxic chemical process for the purification. The accelerator mass spectrometer has high isotope selectivity, but the system is huge and it has the isobar effects. The laser based method, such as RIMS (Resonance Ionization Mass Spectrometry) is a basically isobar-effect free method. Recently, ATTA (Atom Trap Trace Analysis), one of the laser based method, has been successfully demonstrated sufficient isotope selectivity with small system size. It has been applied for the detection of Kr-81 and Kr-85. However, it is not suitable for real sample detection, because it requires steady atomic beam generation during detection and is not allowed simultaneous detection of other isotopes. Therefore, we proposed the coupled method of Atom Trap and Mass Spectrometer. It consists of three parts, neutral atom trap, ionization and mass spectrometer. In this paper, we present the demonstration of the magneto-optical trap of neutral calcium. We discuss the isotope selective characteristics of the MOT (Magneto Optical Trap) of calcium by the fluorescence measurement. In addition, the frequency stabilization of the trap beam will be presented

Effect of chemical composition and cooling conditions on solidification hot cracking of Ni-based alloys

International Nuclear Information System (INIS)

De Vito, Sophie

2000-01-01

Ni-based alloys 690 present solidification hot cracks during welding of vapour generators. Hot cracks are qualitatively known to be due to the formation of inter-dendritic liquid films and of secondary phases down to low temperatures. This study aims at establishing the link between thermodynamics, solidification and hot cracking. Experimental solidification paths of high purity alloys (with varying Nb and Si contents) are obtained from quenching during directional solidification and TIG-welding experiments. They are compared to Thermo-Calc computations, assuming no diffusion in the solid. From directional solidification samples, good agreement between computed and experimental solidification paths is shown in the quenched liquid. Secondary arms of dendrites are affected by solid state diffusion of Nb. Combined effect of diffusion and solute build-up in the liquid phase modifies micro-segregation in the solid region. Solidification paths from welding specimens are similar to those of the solid region of quenched samples. Nb solid state diffusion is negligible but undercooling compensates the effect of solid state diffusion in directional solidification. Evolution of liquid fraction at the end of the solidification is in accordance with the hot cracking classification of the alloys. Nb favours formation of inter-dendritic liquid films and eutectic-like phases down to low temperature. (author) [fr

Detailed SEM-EPMA investigation of high specific radioactivity particles (hot particles)

International Nuclear Information System (INIS)

Burin, K.; Tsacheva, Ts.; Mandjoukov, I.; Mandjoukova, B.

1993-01-01

Scanning electron microscope (SEM) images and electron probe microanalysis (EPMA) spectra of a group of hot particles collected in Bulgaria after the Chernobyl accident have been obtained. A technique for hot particle localization is described. The object is irradiated for two days with a β source and the resulting autoradiographs show particles location precisely. High resolution x-ray spectrum of each particle has been obtained using EPMA. The distribution of chemical elements is visualized by colour dot maps representing the regions of interest of the spectrum. It is concluded that apart from reactor fuel the investigated hot particles come from either construction materials or materials used for the covering of the damaged reactor. 7 figs., 2 ref

Dynamics and mechanisms of hot chemistry stimulated by recoil methods. Progress report, March 1, 1977--February 28, 1978

International Nuclear Information System (INIS)

Spicer, L.D.

1977-11-01

Evaluation of the nuclear recoil chemical activation process in cyclobutane-t and subsequent collisional energy transfer processes has shown: The average quanta of energy transferred from cyclobutane excited to vibrational energies near 100 kcal/mole upon collision is in the kcal/collision range, and also the hot tritium for hydrogen replacement reaction deposits about 46% of its kinetic energy into internal modes of the cyclobutane-t and the energy distribution of activated molecules is relatively independent of the composition of mixed bath systems. An evaluation of the average energy at which recoil stimulated, hot hydrogen replacement reaction in cyclohexane and n-butane occurs has been made as a function of added moderator. Calculated results indicate that the average reaction energy is relatively independent of composition over the range from 0 to 99% moderation with noble gases in well scavenged systems of moderate reactivity. Geometrical isomerization accompanying the gas phase chlorine atom replacement reaction in 2,3 dichlorohexafluoro-2-butene as a function of moderation has been investigated. Both a thermal or near thermal reaction path having a trans/cis product ratio of 1.3 and a high energy process which preferentially forms trans product from both cis and trans reactant are found

Heat transfer between adsorbate and laser-heated hot electrons

International Nuclear Information System (INIS)

Ueba, H; Persson, B N J

2008-01-01

Strong short laser pulses can give rise to a strong increase in the electronic temperature at metal surfaces. Energy transfer from the hot electrons to adsorbed molecules may result in adsorbate reactions, e.g. desorption or diffusion. We point out the limitations of an often used equation to describe the heat transfer process in terms of a friction coupling. We propose a simple theory for the energy transfer between the adsorbate and hot electrons using a newly introduced heat transfer coefficient, which depends on the adsorbate temperature. We calculate the transient adsorbate temperature and the reaction yield for a Morse potential as a function of the laser fluency. The results are compared to those obtained using a conventional heat transfer equation with temperature-independent friction. It is found that our equation of energy (heat) transfer gives a significantly lower adsorbate peak temperature, which results in a large modification of the reaction yield. We also consider the heat transfer between different vibrational modes excited by hot electrons. This mode coupling provides indirect heating of the vibrational temperature in addition to the direct heating by hot electrons. The formula of heat transfer through linear mode-mode coupling of two harmonic oscillators is applied to the recent time-resolved study of carbon monoxide and atomic oxygen hopping on an ultrafast laser-heated Pt(111) surface. It is found that the maximum temperature of the frustrated translation mode can reach high temperatures for hopping, even when direct friction coupling to the hot electrons is not strong enough

Hot Chili Peppers: Extraction, Cleanup, and Measurement of Capsaicin

Science.gov (United States)

Huang, Jiping; Mabury, Scott A.; Sagebiel, John C.

2000-12-01

Capsaicin, the pungent ingredient of the red pepper or Capsicum annuum, is widely used in food preparation. The purpose of this experiment was to acquaint students with the active ingredients of hot chili pepper (capsaicin and dihydrocapsaicin), the extraction, cleanup, and analysis of these chemicals, as a fun and informative analytical exercise. Fresh peppers were prepared and extracted with acetonitrile, removing plant co-extractives by addition to a C-18 solid-phase extraction cartridge. Elution of the capsaicinoids was accomplished with a methanol-acetic acid solution. Analysis was completed by reverse-phase HPLC with diode-array or variable wavelength detection and calibration with external standards. Levels of capsaicin and dihydrocapsaicin were typically found to correlate with literature values for a specific hot pepper variety. Students particularly enjoyed relating concentrations of capsaicinoids to their perceived valuation of "hotness".

Chemical vapour deposition of silicon under reduced pressure in a hot-wall reactor: Equilibrium and kinetics

International Nuclear Information System (INIS)

Langlais, F.; Hottier, F.; Cadoret, R.

1982-01-01

Silicon chemical vapour deposition (SiH 2 Cl 2 /H 2 system), under reduced pressure conditions, in a hot-wall reactor, is presented. The vapour phase composition is assessed by evaluating two distinct equilibria. The homogeneous equilibrium , which assumes that the vapour phase is not in equilibrium with solid silicon, is thought to give an adequate description of the vapour phase in the case of low pressure, high gas velocities, good temperature homogeneity conditions. A comparison with heterogeneous equilibrium enables us to calculate the supersaturation so evidencing a highly irreversible growth system. The experimental determination of the growth rates reveals two distinct temperature ranges: below 1000 0 C, polycrystalline films are usually obtained with a thermally activated growth rate (+40 kcal mole -1 ) and a reaction order, with respect to the predominant species SiCl 2 , close to one; above 1000 0 C, the films are always monocrystalline and their growth rate exhibits a much lower or even negative activation energy, the reaction order in SiCl 2 remaining about one. (orig.)

Neck of public acceptance of atomic energy in Japan

International Nuclear Information System (INIS)

Tawara, Soichiro.

1978-01-01

Discussion is lacking concerning the public acceptance of atomic energy in Japan. In case of the atomic powered ship Mutsu, an opponent says that the ship carries an atomic bomb, but a member of a support group says that the ship emits soft radiation like a hot spring. This is an example of discussion, and most of discussions are made under the political interest, instead of on the scientific base. In Japan, preparatory negotiations are required in advance to the decision making meeting in most cases. Therefore, most of substantial discussions are not public. Engineers in the nuclear industry can hardly express their opinion concerning the development of atomic energy. Most of the data for discussions are not original, but foreign data. Reasons for the development of atomic energy change case by case. It is necessary to consider that people will decide their opinion according to whether the responsible person is reliable or not. Some people oppose to atomic energy to find a new sense of value. Now, all people are requested to think and discuss the problem of atomic energy calmly. (Kato, T.)

Pulsational instabilities in hot pre-horizontal branch stars

Directory of Open Access Journals (Sweden)

Battich Tiara

2017-01-01

Full Text Available The ϵ mechanism is a self-excitation mechanism of pulsations which acts on the regions where nuclear burning takes place. It has been shown that the ϵ mechanism can excite pulsations in models of hot helium-core flash, and that the pulsations of LS IV-14· 116, a He-enriched hot subdwarf star, could be explained that way. We aim to study the ϵmechanism effects on models of hot pre-horizontal branch stars and determine, if possible, a domain of instability in the log g — log Teff plane. We compute non-adiabatic non-radial pulsations on such stellar models, adopting different values of initial chemical abundances and mass of the hydrogen envelope at the time of the main helium flash. We find an instability domain of long-period (400 s ≲ P ≲ 2500 s g-modes for models with 22000K ≲ Teff ≲ 50000K and 4.67 ≲ log g ≲ 6.15.

Modification of REE distribution of ordinary chondrites from Atacama (Chile) and Lut (Iran) hot deserts: Insights into the chemical weathering of meteorites

Science.gov (United States)

Pourkhorsandi, Hamed; D'Orazio, Massimo; Rochette, Pierre; Valenzuela, Millarca; Gattacceca, Jérôme; Mirnejad, Hassan; Sutter, Brad; Hutzler, Aurore; Aboulahris, Maria

2017-09-01

The behavior of rare earth elements (REEs) during hot desert weathering of meteorites is investigated. Ordinary chondrites (OCs) from Atacama (Chile) and Lut (Iran) deserts show different variations in REE composition during this process. Inductively coupled plasma-mass spectrometry (ICP-MS) data reveal that hot desert OCs tend to show elevated light REE concentrations, relative to OC falls. Chondrites from Atacama are by far the most enriched in REEs and this enrichment is not necessarily related to their degree of weathering. Positive Ce anomaly of fresh chondrites from Atacama and the successive formation of a negative Ce anomaly with the addition of trivalent REEs are similar to the process reported from Antarctic eucrites. In addition to REEs, Sr and Ba also show different concentrations when comparing OCs from different hot deserts. The stability of Atacama surfaces and the associated old terrestrial ages of meteorites from this region give the samples the necessary time to interact with the terrestrial environment and to be chemically modified. Higher REE contents and LREE-enriched composition are evidence of contamination by terrestrial soil. Despite their low degrees of weathering, special care must be taken into account while working on the REE composition of Atacama meteorites for cosmochemistry applications. In contrast, chondrites from the Lut desert show lower degrees of REE modification, despite significant weathering signed by Sr content. This is explained by the relatively rapid weathering rate of the meteorites occurring in the Lut desert, which hampers the penetration of terrestrial material by forming voluminous Fe oxide/oxyhydroxides shortly after the meteorite fall.

Atomic weights: no longer constants of nature

Science.gov (United States)

Coplen, Tyler B.; Holden, Norman E.

2011-01-01

Many of us were taught that the standard atomic weights we found in the back of our chemistry textbooks or on the Periodic Table of the Chemical Elements hanging on the wall of our chemistry classroom are constants of nature. This was common knowledge for more than a century and a half, but not anymore. The following text explains how advances in chemical instrumentation and isotopic analysis have changed the way we view atomic weights and why they are no longer constants of nature

Theoretical study of adsorption of lithium atom on carbon nanotube

OpenAIRE

Senami, Masato; Ikeda, Yuji; Fukushima, Akinori; Tachibana, Akitomo

2011-01-01

We investigate the adsorption of lithium atoms on the surface of the (12, 0) single wall carbon nanotube (SWCNT) by using ab initio quantum chemical calculations. The adsorption of one lithium atom on the inside of this SWCNT is favored compared to the outside. We check this feature by charge transfer and regional chemical potential density. The adsorption of multiple lithium atoms on the interior of the SWCNT is studied in terms of adsorption energy and charge transfer. We show that repulsiv...

High temperature cyclic oxidation and hot corrosion behaviours of ...

Indian Academy of Sciences (India)

Administrator

eutectic reaction below 600°C. When the temperature ... blades, consequently corrosion rate rapidly increases due ... the corrosion run. ... Figure 1. Surface macrographs of superalloys subjected to hot corrosion and oxidation .... show the oxide scales of three different chemical compo- .... Li J and Wahi R P 1995 Acta Metall.

Advances in atomic spectroscopy

CERN Document Server

Sneddon, J

1998-01-01

This volume continues the series'' cutting-edge reviews on developments in this field. Since its invention in the 1920s, electrostatic precipitation has been extensively used in industrial hygiene to remove dust and particulate matter from gases before entering the atmosphere. This combination of electrostatic precipitation is reported upon in the first chapter. Following this, chapter two reviews recent advances in the area of chemical modification in electrothermal atomization. Chapter three consists of a review which deal with advances and uses of electrothermal atomization atomic absorption spectrometry. Flow injection atomic spectroscopy has developed rapidly in recent years and after a general introduction, various aspects of this technique are looked at in chapter four. Finally, in chapter five the use of various spectrometric techniques for the determination of mercury are described.

Microbiological studies of hot springs in India: a review.

Science.gov (United States)

Poddar, Abhijit; Das, Subrata K

2018-01-01

The earliest microbiological studies on hot springs in India date from 2003, a much later date compared to global attention in this striking field of study. As of today, 28 out of 400 geothermal springs have been explored following both culturable and non-culturable approaches. The temperatures and pH of the springs are 37-99 °C and 6.8-10, respectively. Several studies have been performed on the description of novel genera and species, characterization of different bio-resources, metagenomics of hot spring microbiome and whole genome analysis of few isolates. 17 strains representing novel species and many thermostable enzymes, including lipase, protease, chitinase, amylase, etc. with potential biotechnological applications have been reported by several authors. Influence of physico-chemical conditions, especially that of temperature, on shaping the hot spring microbiome has been established by metagenomic investigations. Bacteria are the predominant life forms in all the springs with an abundance of phyla Firmicutes, Proteobacteria, Actinobacteria, Thermi, Bacteroidetes, Deinococcus-Thermus and Chloroflexi. In this review, we have discussed the findings on all microbiological studies that have been carried out to date, on the 28 hot springs. Further, the possibilities of extrapolating these studies for practical applications and environmental impact assessment towards protection of natural ecosystem of hot springs have also been discussed.

HOT AEROSOL FIRE EXTINGUISHING AGENTS AND THE ASSOCIATED TECHNOLOGIES: A REVIEW

Directory of Open Access Journals (Sweden)

Xiaotian Zhang

2015-09-01

Full Text Available AbstractSince the phase out of Halon extinguishers in the 1980s, hot aerosol fire suppression technology has gained much attention. Unlike traditional inert gas, foam, water mist and Halon fire suppression agents, hot aerosol fire extinguishing agents do not need to be driven out by pressurized gases and can extinguish class A, B, C, D and K fires at 30 to 200 g/m3. Generally, hot aerosol fire extinguishing technology has developed from a generation I oil tank suppression system to a generation III strontium salt based S-type system. S-type hot aerosol fire extinguishing technology greatly solves the corrosion problem of electrical devices and electronics compared to potassium salt based generation I & II hot aerosol fire extinguishing technology. As substitutes for Halon agents, the ODP and GWP values of hot fire extinguishing aerosols are nearly zero, but those fine aerosol particles can cause adverse health effects once inhaled by human. As for configurations of hot aerosol fire extinguishing devices, fixed or portable cylindrical canisters are the most common among generation II & III hot aerosol fire extinguishers across the world, while generation I hot aerosol fire suppression systems are integrated with the oil tank as a whole. Some countries like the U.S., Australia, Russia and China, etc. have already developed standards for manufacturing and quality control of hot aerosol fire extinguishing agents and norms for hot aerosol fire extinguishing system design under different fire protection scenarios. Coolants in hot aerosol fire suppression systems, which are responsible for reducing hot aerosol temperature to avoid secondary fire risk are reviewed for the first time. Cooling effects are generally achieved through vaporization and endothermic chemical decomposition of coolants. Finally, this review discussed areas applying generation I, II or III hot aerosol fire suppression technologies. The generation III hot aerosol fire extinguishing

Development of nanodiamond foils for H- stripping to Support the Spallation Neutron Source (SNS) using hot filament chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Vispute, R D [Blue Wave Semiconductors; Ermer, Henry K [Blue Wave Semiconductors; Sinsky, Phillip [Blue Wave Semiconductors; Seiser, Andrew [Blue Wave Semiconductors; Shaw, Robert W [ORNL; Wilson, Leslie L [ORNL

2014-01-01

Thin diamond foils are needed in many particle accelerator experiments regarding nuclear and atomic physics, as well as in some interdisciplinary research. Particularly, nanodiamond texture is attractive for this purpose as it possesses a unique combination of diamond properties such as high thermal conductivity, mechanical strength and high radiation hardness; therefore, it is a potential material for energetic ion beam stripper foils. At the ORNL Spallation Neutron Source (SNS), the installed set of foils must be able to survive a nominal five-month operation period, without the need for unscheduled costly shutdowns and repairs. Thus, a small foil about the size of a postage stamp is critical to the operation of SNS and similar sources in U.S. laboratories and around the world. We are investigating nanocrystalline, polycrystalline and their admixture films fabricated using a hot filament chemical vapor deposition (HFCVD) system for H- stripping to support the SNS at Oak Ridge National Laboratory. Here we discuss optimization of process variables such as substrate temperature, process gas ratio of H2/Ar/CH4, substrate to filament distance, filament temperature, carburization conditions, and filament geometry to achieve high purity diamond foils on patterned silicon substrates with manageable intrinsic and thermal stresses so that they can be released as free standing foils without curling. An in situ laser reflectance interferometry tool (LRI) is used for monitoring the growth characteristics of the diamond thin film materials. The optimization process has yielded free standing foils with no pinholes. The sp3/sp2 bonds are controlled to optimize electrical resistivity to reduce the possibility of surface charging of the foils. The integrated LRI and HFCVD process provides real time information on the growth of films and can quickly illustrate growth features and control film thickness. The results are discussed in the light of development of nanodiamond foils that

Atomic-level spatial distributions of dopants on silicon surfaces: toward a microscopic understanding of surface chemical reactivity

Science.gov (United States)

Hamers, Robert J.; Wang, Yajun; Shan, Jun

1996-11-01

We have investigated the interaction of phosphine (PH 3) and diborane (B 2H 6) with the Si(001) surface using scanning tunneling microscopy, infrared spectroscopy, and ab initio molecular orbital calculations. Experiment and theory show that the formation of PSi heterodimers is energetically favorable compared with formation of PP dimers. The stability of the heterodimers arises from a large strain energy associated with formation of PP dimers. At moderate P coverages, the formation of PSi heterodimers leaves the surface with few locations where there are two adjacent reactive sites. This in turn modifies the chemical reactivity toward species such as PH 3, which require only one site to adsorb but require two adjacent sites to dissociate. Boron on Si(001) strongly segregates into localized regions of high boron concentration, separated by large regions of clean Si. This leads to a spatially-modulated chemical reactivity which during subsequent growth by chemical vapor deposition (CVD) leads to formation of a rough surface. The implications of the atomic-level spatial distribution of dopants on the rates and mechanisms of CVD growth processes are discussed.

Hot-electron-based solar energy conversion with metal-semiconductor nanodiodes

Science.gov (United States)

Lee, Young Keun; Lee, Hyosun; Lee, Changhwan; Hwang, Euyheon; Park, Jeong Young

2016-06-01

Energy dissipation at metal surfaces or interfaces between a metal and a dielectric generally results from elementary excitations, including phonons and electronic excitation, once external energy is deposited to the surface/interface during exothermic chemical processes or an electromagnetic wave incident. In this paper, we outline recent research activities to develop energy conversion devices based on hot electrons. We found that photon energy can be directly converted to hot electrons and that hot electrons flow through the interface of metal-semiconductor nanodiodes where a Schottky barrier is formed and the energy barrier is much lower than the work function of the metal. The detection of hot electron flow can be successfully measured using the photocurrent; we measured the photoyield of photoemission with incident photons-to-current conversion efficiency (IPCE). We also show that surface plasmons (i.e. the collective oscillation of conduction band electrons induced by interaction with an electromagnetic field) are excited on a rough metal surface and subsequently decay into secondary electrons, which gives rise to enhancement of the IPCE. Furthermore, the unique optical behavior of surface plasmons can be coupled with dye molecules, suggesting the possibility for producing additional channels for hot electron generation.

Prediction of protein interaction hot spots using rough set-based multiple criteria linear programming.

Science.gov (United States)

Chen, Ruoying; Zhang, Zhiwang; Wu, Di; Zhang, Peng; Zhang, Xinyang; Wang, Yong; Shi, Yong

2011-01-21

Protein-protein interactions are fundamentally important in many biological processes and it is in pressing need to understand the principles of protein-protein interactions. Mutagenesis studies have found that only a small fraction of surface residues, known as hot spots, are responsible for the physical binding in protein complexes. However, revealing hot spots by mutagenesis experiments are usually time consuming and expensive. In order to complement the experimental efforts, we propose a new computational approach in this paper to predict hot spots. Our method, Rough Set-based Multiple Criteria Linear Programming (RS-MCLP), integrates rough sets theory and multiple criteria linear programming to choose dominant features and computationally predict hot spots. Our approach is benchmarked by a dataset of 904 alanine-mutated residues and the results show that our RS-MCLP method performs better than other methods, e.g., MCLP, Decision Tree, Bayes Net, and the existing HotSprint database. In addition, we reveal several biological insights based on our analysis. We find that four features (the change of accessible surface area, percentage of the change of accessible surface area, size of a residue, and atomic contacts) are critical in predicting hot spots. Furthermore, we find that three residues (Tyr, Trp, and Phe) are abundant in hot spots through analyzing the distribution of amino acids. Copyright © 2010 Elsevier Ltd. All rights reserved.

Hot Flashes

Science.gov (United States)

Hot flashes Overview Hot flashes are sudden feelings of warmth, which are usually most intense over the face, neck and chest. Your skin might redden, as if you're blushing. Hot flashes can also cause sweating, and if you ...

The Mystery of Matter, World of the Atom Series.

Science.gov (United States)

Pollard, William G.

This booklet is one in the "World of the Atome Series" for junior high school students and their teachers. It describes the fascinating story of the search for the key to the structure of matter. These topics are reviewed: the chemical atom of the 19th century, the planetary atom, the wave atom, inside the elementary particles, and the mystery of…

Wet-chemical etching of atom probe tips for artefact free analyses of nanoscaled semiconductor structures.

Science.gov (United States)

Melkonyan, D; Fleischmann, C; Veloso, A; Franquet, A; Bogdanowicz, J; Morris, R J H; Vandervorst, W

2018-03-01

We introduce an innovative specimen preparation method employing the selectivity of a wet-chemical etching step to improve data quality and success rates in the atom probe analysis of contemporary semiconductor devices. Firstly, on the example of an SiGe fin embedded in SiO 2 we demonstrate how the selective removal of SiO 2 from the final APT specimen significantly improves accuracy and reliability of the reconstructed data. With the oxide removal, we eliminate the origin of shape artefacts, i.e. the formation of a non-hemispherical tip shape, that are typically observed in the reconstructed volume of complex systems. Secondly, using the same approach, we increase success rates to ∼90% for the damage-free, 3D site-specific localization of short (250 nm), vertical Si nanowires at the specimen apex. The impact of the abrupt emitter radius change that is introduced by this specimen preparation method is evaluated as being minor using field evaporation simulation and comparison of different reconstruction schemes. The Ge content within the SiGe fin as well as the 3D boron distribution in the Si NW as resolved by atom probe analysis are in good agreement with TEM/EDS and ToF-SIMS analysis, respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

Modeling the effects of cohesive energy for single particle on the material removal in chemical mechanical polishing at atomic scale

International Nuclear Information System (INIS)

Wang Yongguang; Zhao Yongwu; An Wei; Wang Jun

2007-01-01

This paper proposes a novel mathematical model for chemical mechanical polishing (CMP) based on interface solid physical and chemical theory in addition to energy equilibrium knowledge. And the effects of oxidation concentration and particle size on the material removal in CMP are investigated. It is shown that the mechanical energy and removal cohesive energy couple with the particle size, and being a cause of the non-linear size-removal rate relation. Furthermore, it also shows a nonlinear dependence of removal rate on removal cohesive energy. The model predictions are in good qualitative agreement with the published experimental data. The current study provides an important starting point for delineating the micro-removal mechanism in the CMP process at atomic scale

The effect of the partial pressure of H2 gas and atomic hydrogen on diamond films deposited using CH3OH/H2O gas

International Nuclear Information System (INIS)

Lee, Kwon-Jai; Koh, Jae-Gui; Shin, Jae-Soo; Kwon, Ki-Hong; Lee, Chang-Hee

2006-01-01

Diamond films were deposited on Si(100) substrates by hot filament chemical vapor deposition (HFCVD) with a CH 3 OH/H 2 O gas mixture while changing the gas ratio. The films were analyzed with scanning electron microscopy (SEM), Raman spectroscopy, and optical emission spectroscopy (OES). The diamond films were grown with CH 3 OH being 52 % by volume of the gas mixture. The effect of atomic hydrogen on the film was different from that of the CH 4 /H 2 gas mixture. Analysis with OES during film growth indicated that among the thermally dissociated hydrogen radicals, only H α contributed to the etching of graphite.

Infrared Absorption Spectroscopy and Chemical Kinetics of Free Radicals, Final Technical Report

Science.gov (United States)

Curl, Robert F.; Glass, Graham P.

2004-11-01

This research was directed at the detection, monitoring, and study of the chemical kinetic behavior by infrared absorption spectroscopy of small free radical species thought to be important intermediates in combustion. Work on the reaction of OH with acetaldehyde has been completed and published and work on the reaction of O({sup 1}D) with CH{sub 4} has been completed and submitted for publication. In the course of our investigation of branching ratios of the reactions of O({sup 1}D) with acetaldehyde and methane, we discovered that hot atom chemistry effects are not negligible at the gas pressures (13 Torr) initially used. Branching ratios of the reaction of O({sup 1}D) with CH{sub 4} have been measured at a tenfold higher He flow and fivefold higher pressure.

Characterization of Sludge from the Process of Steel Tubes Chemical Treatment for Hot Galvanizing

Directory of Open Access Journals (Sweden)

Sofilić, U.

2009-10-01

Full Text Available Inadequate industrial waste management in Croatia is reflected in the non-sanitary waste disposal, low recycling levels, negligible share of waste processing technologies, insufficient control of its flows, etc.Generated industrial wastes are most frequently disposed of at producers’ own, mostly illegal landfills. There are many such landfills on the Croatian territory, and the disposed types of waste often include those that can be hazardous and represent a considerable source of environmental pollution.Past waste management in all industrial branches can be characterized in this way, which at the same time may result in the harmful impact on human health and the environment. It also represents economic loss due to low utilisation of material and energy potential of some industrial wastes. The metallurgical industry collects its production waste separately. Only a part of the generated waste is returned to the production process and some waste is occasionally used by other industries as secondary raw materials, but the largest part of it ends at producers' own landfills on site. Hazardous wastes (dust containing heavy metals, waste oils etc. are mostly disposed of in a controlled and lawful manner. Past handling of metallurgical waste was unacceptable both from the environmental and economic point of view. Therefore a systematic resolving of this important issue was initiated at the beginning of this decade. Sisak Steelworks galvanized steel pipes in the hot-dip galvanizing procedure by immersing in molten zinc. Between 1970 and 2000 Sisak Steelworks produced approximately 900 000 tonnes of galvanized pipes this way and generated around 70 000 m3 of neutralisation sludge, which was subsequently disposed of in the landfill on site. The paper presents the results of examination of physical-chemical properties of neutralisation sludge generated as waste material in the process of neutralisation of waste sulphate acid bath used in Sisak

Cobalt as chemical modifier to improve chromium sensitivity and minimize matrix effects in tungsten coil atomic emission spectrometry

Energy Technology Data Exchange (ETDEWEB)

Silva, Sidnei G. [Group of Applied Instrumental Analysis, Department of Chemistry, Federal University of São Carlos, P.O. Box 676, São Carlos, SP 13560-970 (Brazil); Donati, George L., E-mail: georgedonati@yahoo.com.br [Department of Chemistry, Wake Forest University, Winston-Salem, NC 27109 (United States); Santos, Luana N. [Group of Applied Instrumental Analysis, Department of Chemistry, Federal University of São Carlos, P.O. Box 676, São Carlos, SP 13560-970 (Brazil); Jones, Bradley T. [Department of Chemistry, Wake Forest University, Winston-Salem, NC 27109 (United States); Nóbrega, Joaquim A. [Group of Applied Instrumental Analysis, Department of Chemistry, Federal University of São Carlos, P.O. Box 676, São Carlos, SP 13560-970 (Brazil)

2013-05-30

Graphical abstract: -- Highlights: •Charge transfer reactions increase the population of Cr{sup +}. •Chromium ions and electrons recombine to form excited-state Cr atoms. •A 10-fold improvement in LOD is observed for Cr emission measurements. •The two-step ionization/excitation mechanism improves sensitivity and accuracy. •High concentrations of Co also minimize matrix effects. -- Abstract: Cobalt is used as chemical modifier to improve sensitivity and minimize matrix effects in Cr determinations by tungsten coil atomic emission spectrometry (WCAES). The atomizer is a tungsten filament extracted from microscope light bulbs. A solid-state power supply and a handheld CCD-based spectrometer are also used in the instrumental setup. In the presence of 1000 mg L{sup −1} Co, WCAES limit of detection for Cr (λ = 425.4 nm) is calculated as 0.070 mg L{sup −1}; a 10-fold improvement compared to determinations without Co modifier. The mechanism involved in such signal enhancement is similar to the one observed in ICP OES and ICP-MS determinations of As and Se in the presence of C. Cobalt increases the population of Cr{sup +} by charge transfer reactions. In a second step, Cr{sup +}/e{sup −} recombination takes place, which results in a larger population of excited-state Cr atoms. This alternative excitation route is energetically more efficient than heat transfer from atomizer and gas phase to analyte atoms. A linear dynamic range of 0.25–10 mg L{sup −1} and repeatability of 3.8% (RSD, n = 10) for a 2.0 mg L{sup −1} Cr solution are obtained with this strategy. The modifier high concentration also contributes to improving accuracy due to a matrix-matching effect. The method was applied to a certified reference material of Dogfish Muscle (DORM-2) and no statistically significant difference was observed between determined and certified Cr values at a 95% confidence level. Spike experiments with bottled water samples resulted in recoveries between 93% and

A method for the determination of low nitrogen concentrations in niobium by vacuum hot extraction

International Nuclear Information System (INIS)

Gruenwald, W.; Haessner, F.; Schulze, K.

1976-01-01

A method for the vacuum hot extraction of gases without the use of crucibles and fluxes is described and applied to the determination of gas contents of high-melting-point metals at low atomic ppm. The Nb-N system is quoted as an example. The reaction vessel (after baking at 150 0 C) was evacuated by means of a turbomolecular pump at an effective rate of 240 l s -1 . Degassing was carried out in ultra-high vacuum employing a residual nitrogen partial pressure of 2 X 10 -10 Torr and liquid and/or solid samples were melted by the levitation method in a radiofrequency field. The evolved gases were detected using a quadrupole mass filter and the quantity of nitrogen evolved calculated by integrating the partial pressure over the time period at a given pumping rate independent of pressure. In addition to giving a chemical analysis of the gas-metal system at low atomic ppm, this method also enables the thermodynamic and kinetic parameters to be determined. The minimum detectable concentration of nitrogen dissolved in niobium was ca. 0.5 at. ppm, the distribution coefficient between solid and liquid niobium 0.76 with the solubility of nitrogen being unaffected by additions of carbon up to 4.5 at.%. The contamination of high purity niobium during sample preparation has also been investigated. (Auth.)

The method of intersecting spheres for determination of coordination numbers of atoms in crystal structures

International Nuclear Information System (INIS)

Serezhkin, V.N.; Buslaev, Yu.A.; Mikhajlov, Yu.N.

1997-01-01

New method for determination of coordination numbers (CN) of atoms in crystal structures, based on the model of interatomic interaction, within the frames whereof each atom is approximated by two spheres with the common center in the atom nuclei, is proposed. One of the spheres specifies conditionally isolated (chemically unbound) atom and its radius is a constant, which for atoms of the given chemical sort in the structure of any compound is equal to quasi-orbital Sleiter radius. The sphere of the other radius specifies chemically bound atom and coincides with the sphere, the volume whereof is equal to the volume of the Voronoj-Dirichlet polyhedron of the corresponding atom in the structure of the concrete crystal. Using a series of examples, workability of the given method for CN determination of atoms in structures of both simple substances and chemical compounds (alkali, transition metals, U, Th). Good agreement of the obtained results with the generally accepted CN s of atoms for the considered crystals is noted and a number of principal advantages of the new method, as compared to classical one of the CNs evaluation, is demonstrated

HOT 2011

DEFF Research Database (Denmark)

Lund, Henriette Romme

En undersøgelse af, hvad der er hot - og burde være hot på læseområdet. I undersøgelsen deltager 21 læsekyndige fra praksisfeltet, professionshøjskolerne og forskningsområdet.......En undersøgelse af, hvad der er hot - og burde være hot på læseområdet. I undersøgelsen deltager 21 læsekyndige fra praksisfeltet, professionshøjskolerne og forskningsområdet....

Multipolar electrostatics for proteins: atom-atom electrostatic energies in crambin.

Science.gov (United States)

Yuan, Yongna; Mills, Matthew J L; Popelier, Paul L A

2014-02-15

Accurate electrostatics necessitates the use of multipole moments centered on nuclei or extra point charges centered away from the nuclei. Here, we follow the former alternative and investigate the convergence behavior of atom-atom electrostatic interactions in the pilot protein crambin. Amino acids are cut out from a Protein Data Bank structure of crambin, as single amino acids, di, or tripeptides, and are then capped with a peptide bond at each side. The atoms in the amino acids are defined through Quantum Chemical Topology (QCT) as finite volume electron density fragments. Atom-atom electrostatic energies are computed by means of a multipole expansion with regular spherical harmonics, up to a total interaction rank of L = ℓA+ ℓB + 1 = 10. The minimum internuclear distance in the convergent region of all the 15 possible types of atom-atom interactions in crambin that were calculated based on single amino acids are close to the values calculated from di and tripeptides. Values obtained at B3LYP/aug-cc-pVTZ and MP2/aug-cc-pVTZ levels are only slightly larger than those calculated at HF/6-31G(d,p) level. This convergence behavior is transferable to the well-known amyloid beta polypeptide Aβ1-42. Moreover, for a selected central atom, the influence of its neighbors on its multipole moments is investigated, and how far away this influence can be ignored is also determined. Finally, the convergence behavior of AMBER becomes closer to that of QCT with increasing internuclear distance. Copyright © 2013 Wiley Periodicals, Inc.

Effect of carbon content on microstructure and mechanical properties of hot-rolled low carbon 12Cr-Ni stainless steel

International Nuclear Information System (INIS)

Zheng, H.; Ye, X.N.; Li, J.D.; Jiang, L.Z.; Liu, Z.Y.; Wang, G.D.; Wang, B.S.

2010-01-01

Research highlights: → Hot-rolled ultra low carbon martensite is characterized by dislocation cells substructure. → The formation of dislocation cells is attributed to high Ms and low interstitial atoms content. → Hot-rolled ultra low carbon 12Cr-Ni stainless steel has excellent impact toughness. → Delta ferrite deteriorates the impact toughness of hot-rolled 12Cr-Ni stainless steel. - Abstract: 12Cr-Ni stainless steels containing different carbon contents from 0.004 wt.% to 0.034 wt.% were hot-rolled and air-cooled. Their corresponding microstructures were observed with optical microscope and transmission electron microscope, and the Vickers hardness, tensile and impact tests were also carried out. It was found that the martensitic morphology was significantly influenced by carbon content. The as-received ultra low carbon martensite in the steel containing 0.004 wt.% C is characterized by dislocation cells substructure. The formation of dislocation cells is attributed to high martensite finishing point (above 400 deg. C) and low interstitial atoms content. On the other hand, the martensite in the steel containing 0.034 wt.% C consists mainly of typical martensite laths because of low martensite finishing point and high interstitial atoms content which hinder dislocation motion. Furthermore, carbon content has an evident effect on the mechanical properties of 12Cr-Ni steels. The hardness and strength of the as-received steels increase with an increase in carbon content, but their elongation and impact toughness decrease with the carbon content. The steel containing 0.004 wt.% C has excellent impact toughness due to the ultra low carbon content in the martensite composed of dislocation cells.

Evaluation of treatments with hot water, chemicals and ventilated containers to reduce microbial spoilage in irradiated potatoes

International Nuclear Information System (INIS)

Shirsat, S.G.; Thomas, P.; Nair, P.M.

1991-01-01

Potatoes irradiated to control sprouting were dipped in: hot water (56°C, 5 min; 52°C, 10, 15 and 20 min); cold (25°C, 5 min) or hot (56°C, 5 min) salicylic acid (1000 and 2000 ppm); or sodium hypochlorite (0.1 and 0.2%, 5 min); or dusted with salicylic acid (1 and 2%), to try to reduce the incidence of bacterial soft rot (Erwinia sp.) during controlled temperature (10°C, 15°C) and ambient temperature (20–34°C) storage. All treatments, particularly hot water and hot salicylic acid dip, increased microbial spoilage, possibly as a result of handling damage during the treatments combined with the inhibition of wound periderm formation as a result of irradiation. Storing irradiated tubers in well ventilated containers reduced soft rot compared to storing them in sacks and after 6 months storage at 10, 15 and 20–34°C, 95, 90 and 77% respectively were healthy and marketable. (author)

Two-pulse atomic coherent control spectroscopy of Eley-Rideal reactions: An application of an atom laser

International Nuclear Information System (INIS)

Joergensen, Solvejg; Kosloff, Ronnie

2003-01-01

A spectroscopic application of the atom laser is suggested. The spectroscopy termed 2PACC (two-pulse atomic coherent control) employs the coherent properties of matter waves from a two-pulse atom laser. These waves are employed to control a gas-surface chemical recombination reaction. The method is demonstrated for an Eley-Rideal reaction of a hydrogen or alkali atom-laser pulse where the surface target is an adsorbed hydrogen atom. The reaction yields either a hydrogen or alkali hydride molecule. The desorbed gas-phase molecular yield and its internal state is shown to be controlled by the time and phase delay between two atom-laser pulses. The calculation is based on solving the time-dependent Schroedinger equation in a diabatic framework. The probability of desorption which is the predicted 2PACC signal has been calculated as a function of the pulse parameters

Chemical reactions induced and probed by positive muons

International Nuclear Information System (INIS)

Ito, Yasuo

1990-01-01

The application of μ + science, collectively called μSR, but encompassing a variety of methods including muon spin rotation, muon spin relaxation, muon spin repolarization, muon spin resonance and level-crossing resonance, to chemistry is introduced emphasizing the special aspects of processes which are 'induced and probed' by the μ + itself. After giving a general introduction to the nature and methods of muon science and a short history of muon chemistry, selected topics are given. One concerns the usefulness of muonium as hydrogen-like probes of chemical reactions taking polymerization of vinyl monomers and reaction with thiosulphate as examples. Probing solitons in polyacetylene induced and probed by μ + is also an important example which shows the unique nature of muonium. Another important topic is 'lost polarization'. Although this term is particular to muonium. Another important topic is 'lost polarization'. Although this term is particular to muon chemistry, the chemistry underlining the phenomenon of lost polarization has an importance to both radiation and hot atom chemistries. (orig.)

Counteraction of urea-induced protein denaturation by trimethylamine N-oxide: a chemical chaperone at atomic resolution.

Science.gov (United States)

Bennion, Brian J; Daggett, Valerie

2004-04-27

Proteins are very sensitive to their solvent environments. Urea is a common chemical denaturant of proteins, yet some animals contain high concentrations of urea. These animals have evolved an interesting mechanism to counteract the effects of urea by using trimethylamine N-oxide (TMAO). The molecular basis for the ability of TMAO to act as a chemical chaperone remains unknown. Here, we describe molecular dynamics simulations of a small globular protein, chymotrypsin inhibitor 2, in 8 M urea and 4 M TMAO/8 M urea solutions, in addition to other control simulations, to investigate this effect at the atomic level. In 8 M urea, the protein unfolds, and urea acts in both a direct and indirect manner to achieve this effect. In contrast, introduction of 4 M TMAO counteracts the effect of urea and the protein remains well structured. TMAO makes few direct interactions with the protein. Instead, it prevents unfolding of the protein by structuring the solvent. In particular, TMAO orders the solvent and discourages it from competing with intraprotein H bonds and breaking up the hydrophobic core of the protein.

Laser-induced fluorescence of metal-atom impurities in a neutral beam

International Nuclear Information System (INIS)

Burrell, C.F.; Pyle, R.V.; Sabetimani, Z.; Schlachter, A.S.

1984-10-01

The need to limit impurities in fusion devices to low levels is well known. We have investigated, by the technique of laser-induced fluorescence, the concentration of heavy-metal atoms in a neutral beam caused by their evaporation from the hot filaments in a conventional high-current multifilament hydrogen-ion source

One-atom detection and statistical studies with resonance ionization spectroscopy

International Nuclear Information System (INIS)

Payne, M.G.; Hurst, G.S.

1982-01-01

To learn how to take matter apart atom-by-atom and to count each atom according to its type, regardless of its initial chemical or physical state, is presumably a worthy goal in scientific research. The advent of the laser created real hope that these aspirations will be realized. The counting of atoms is not merely an intellectual exercise set apart from real-world applications. On the contrary, even though the capability is scarcely more than five years old, practical applications have been made in many fields of chemistry, physics, the environment, and industry. In this lecture we wish to review how the laser made possible the counting of atoms and how this capability has been put to use in situations where atoms are free to react chemically as they diffuse through a medium. Fluctuation phenomena and statistical mechanics can also be examined in these situations

Interactions of C+(2PJ) with rare gas atoms: incipient chemical interactions, potentials and transport coefficients

Science.gov (United States)

Tuttle, William D.; Thorington, Rebecca L.; Viehland, Larry A.; Breckenridge, W. H.; Wright, Timothy G.

2018-03-01

Accurate interatomic potentials were calculated for the interaction of a singly charged carbon cation, C+, with a single rare gas atom, RG (RG = Ne-Xe). The RCCSD(T) method and basis sets of quadruple-ζ and quintuple-ζ quality were employed; each interaction energy was counterpoise corrected and extrapolated to the basis set limit. The lowest C+(2P) electronic term of the carbon cation was considered, and the interatomic potentials calculated for the diatomic terms that arise from these: 2Π and 2Σ+. Additionally, the interatomic potentials for the respective spin-orbit levels were calculated, and the effect on the spectroscopic parameters was examined. In doing this, anomalously large spin-orbit splittings for RG = Ar-Xe were found, and this was investigated using multi-reference configuration interaction calculations. The latter indicated a small amount of RG → C+ electron transfer and this was used to rationalize the observations. This is taken as evidence of an incipient chemical interaction, which was also examined via contour plots, Birge-Sponer plots and various population analyses across the C+-RG series (RG = He-Xe), with the latter showing unexpected results. Trends in several spectroscopic parameters were examined as a function of the increasing atomic number of the RG atom. Finally, each set of RCCSD(T) potentials was employed, including spin-orbit coupling to calculate the transport coefficients for C+ in RG, and the results were compared with the limited available data. This article is part of the theme issue `Modern theoretical chemistry'.

Atomic and molecular data for optical stellar spectroscopy

International Nuclear Information System (INIS)

Heiter, U; Lind, K; Barklem, P S; Asplund, M; Bergemann, M; Magrini, L; Masseron, T; Mikolaitis, Š; Pickering, J C; Ruffoni, M P

2015-01-01

High-precision spectroscopy of large stellar samples plays a crucial role for several topical issues in astrophysics. Examples include studying the chemical structure and evolution of the Milky Way Galaxy, tracing the origin of chemical elements, and characterizing planetary host stars. Data are accumulating from instruments that obtain high-quality spectra of stars in the ultraviolet, optical and infrared wavelength regions on a routine basis. These instruments are located at ground-based 2–10 m class telescopes around the world, in addition to the spectrographs with unique capabilities available at the Hubble Space Telescope. The interpretation of these spectra requires high-quality transition data for numerous species, in particular neutral and singly ionized atoms, and di- or triatomic molecules. We rely heavily on the continuous efforts of laboratory astrophysics groups that produce and improve the relevant experimental and theoretical atomic and molecular data. The compilation of the best available data is facilitated by databases and electronic infrastructures such as the NIST Atomic Spectra Database, the VALD database, or the Virtual Atomic and Molecular Data Centre. We illustrate the current status of atomic data for optical stellar spectra with the example of the Gaia-ESO Public Spectroscopic Survey. Data sources for 35 chemical elements were reviewed in an effort to construct a line list for a homogeneous abundance analysis of up to 10 5 stars. (paper)

Atomic and molecular data for optical stellar spectroscopy

Science.gov (United States)

Heiter, U.; Lind, K.; Asplund, M.; Barklem, P. S.; Bergemann, M.; Magrini, L.; Masseron, T.; Mikolaitis, Š.; Pickering, J. C.; Ruffoni, M. P.

2015-05-01

High-precision spectroscopy of large stellar samples plays a crucial role for several topical issues in astrophysics. Examples include studying the chemical structure and evolution of the Milky Way Galaxy, tracing the origin of chemical elements, and characterizing planetary host stars. Data are accumulating from instruments that obtain high-quality spectra of stars in the ultraviolet, optical and infrared wavelength regions on a routine basis. These instruments are located at ground-based 2-10 m class telescopes around the world, in addition to the spectrographs with unique capabilities available at the Hubble Space Telescope. The interpretation of these spectra requires high-quality transition data for numerous species, in particular neutral and singly ionized atoms, and di- or triatomic molecules. We rely heavily on the continuous efforts of laboratory astrophysics groups that produce and improve the relevant experimental and theoretical atomic and molecular data. The compilation of the best available data is facilitated by databases and electronic infrastructures such as the NIST Atomic Spectra Database, the VALD database, or the Virtual Atomic and Molecular Data Centre. We illustrate the current status of atomic data for optical stellar spectra with the example of the Gaia-ESO Public Spectroscopic Survey. Data sources for 35 chemical elements were reviewed in an effort to construct a line list for a homogeneous abundance analysis of up to 105 stars.

Theoretical Calculation of Absolute Radii of Atoms and Ions. Part 1. The Atomic Radii

Directory of Open Access Journals (Sweden)

Raka Biswas

2002-02-01

Full Text Available Abstract. A set of theoretical atomic radii corresponding to the principal maximum in the radial distribution function, 4πr2R2 for the outermost orbital has been calculated for the ground state of 103 elements of the periodic table using Slater orbitals. The set of theoretical radii are found to reproduce the periodic law and the Lother Meyer’s atomic volume curve and reproduce the expected vertical and horizontal trend of variation in atomic size in the periodic table. The d-block and f-block contractions are distinct in the calculated sizes. The computed sizes qualitatively correlate with the absolute size dependent properties like ionization potentials and electronegativity of elements. The radii are used to calculate a number of size dependent periodic physical properties of isolated atoms viz., the diamagnetic part of the atomic susceptibility, atomic polarizability and the chemical hardness. The calculated global hardness and atomic polarizability of a number of atoms are found to be close to the available experimental values and the profiles of the physical properties computed in terms of the theoretical atomic radii exhibit their inherent periodicity. A simple method of computing the absolute size of atoms has been explored and a large body of known material has been brought together to reveal how many different properties correlate with atomic size.

Model non-equilibrium molecular dynamics simulations of heat transfer from a hot gold surface to an alkylthiolate self-assembled monolayer.

Science.gov (United States)

Zhang, Yue; Barnes, George L; Yan, Tianying; Hase, William L

2010-05-07

Model non-equilibrium molecular dynamics (MD) simulations are presented of heat transfer from a hot Au {111} substrate to an alkylthiolate self-assembled monolayer (H-SAM) to assist in obtaining an atomic-level understanding of experiments by Wang et al. (Z. Wang, J. A. Carter, A. Lagutchev, Y. K. Koh, N.-H. Seong, D. G. Cahill, and D. D. Dlott, Science, 2007, 317, 787). Different models are considered to determine how they affect the heat transfer dynamics. They include temperature equilibrated (TE) and temperature gradient (TG) thermostat models for the Au(s) surface, and soft and stiff S/Au(s) models for bonding of the S-atoms to the Au(s) surface. A detailed analysis of the non-equilibrium heat transfer at the heterogeneous interface is presented. There is a short time temperature gradient within the top layers of the Au(s) surface. The S-atoms heat rapidly, much faster than do the C-atoms in the alkylthiolate chains. A high thermal conductivity in the H-SAM, perpendicular to the interface, results in nearly identical temperatures for the CH(2) and CH(3) groups versus time. Thermal-induced disorder is analyzed for the Au(s) substrate, the S/Au(s) interface and the H-SAM. Before heat transfer occurs from the hot Au(s) substrate to the H-SAM, there is disorder at the S/Au(s) interface and within the alkylthiolate chains arising from heat-induced disorder near the surface of hot Au(s). The short-time rapid heating of the S-atoms enhances this disorder. The increasing disorder of H-SAM chains with time results from both disorder at the Au/S interface and heat transfer to the H-SAM chains.

Hot wire chemical vapor deposition: limits and opportunities of protecting the tungsten catalyzer from silicide with a cavity

International Nuclear Information System (INIS)

Frigeri, P.A.; Nos, O.; Bengoechea, S.; Frevert, C.; Asensi, J.M.; Bertomeu, J.

2009-01-01

Hot Wire Chemical Vapor Deposition (HW-CVD) is one of the most promising techniques for depositing the intrinsic microcrystalline silicon layer for the production of micro-morph solar cells. However, the silicide formation at the colder ends of the tungsten wire drastically reduces the lifetime of the catalyzer, thus limiting its industrial exploitation. A simple but interesting strategy to decrease the silicide formation is to hide the electrical contacts of the catalyzer in a long narrow cavity which reduces the probability of the silane molecules to reach the colder ends of the wire. In this paper, the working mechanism of the cavity is elucidated. Measurements of the thickness profile of the silicon deposited in the internal walls of the cavity have been compared with those predicted using a simple diffusion model based on the assumption of Knudsen flow. A lifetime study of the protected and unprotected wires has been carried out. The different mechanisms which determine the deterioration of the catalyzer have been identified and discussed.

Nuclear activated cw chemical laser

International Nuclear Information System (INIS)

Roberts, T.G.

1982-01-01

A cw chemical laser which uses processed radioactive waste to produce active atoms from a chemically inactive gas before being mixed with another molecule such as hydrogen or deuterium is disclosed. This laser uses no toxic or corrosive fuels and does not require any electrical or other type of auxiliary power supply. The energy released by the radioactive material is used to produce the active atoms such as fluorine. This is accomplished by using the radiation products from processed radioactive waste to dissociate the inert gas in the plenum of the laser. The radioactive material is held in the passageway walls of a device similar to a heat exchanger. The exchanger device may be located in the gas generator section of a chemical laser. The inactive gas is passed through the exchanger device and while passing through it the radiation from the radioactive material dissociates the gas, producing a concentration of free active atoms. This active atom generator then feeds the nozzle bank or mixing section of a laser to produce a lasing action

Effect of chemical modification on behavior of various organic vanadium forms during analysis by electrothermal atomic absorption spectrometry

International Nuclear Information System (INIS)

Kowalewska, Zofia

2007-01-01

The behavior of various organic V forms dissolved in xylene during analysis by electrothermal atomic absorption spectrometry (ETAAS) was compared. The investigated analyte forms included compounds with vanadium at the oxidation state III, IV or V, as well as N, O or S atoms in molecules. Another group consisted of petroleum products containing naturally-occurring V species. Although the characteristic mass determined under different analytical conditions was in the very wide range from 11 up to 55 pg, some rules of V behavior were found. In the case of porphyrins and petroleum products, the application of Pd as a chemical modifier (xylene solution of Pd(II) acetylacetonate) seemed to be crucial. It was shown that Pd must be introduced to a furnace together with a sample. Pd injected and thermally pretreated before the sample injection was less effective for porphyrins and the petroleum products, but it increased signals of V compounds containing O as donor atom. The iodine pretreatment followed by the methyltrioctylammonium chloride (MTOACl) pretreatment was advantageous for these V forms. The air ashing in a graphite tube appeared to be important to improve decomposition of the petroleum products. No significant influence of the V oxidation state on the analytical signal was observed. The behavior of V contained in two Conostan oil standards, the single-element and the S21 multielement standard, was different in many situations. Probably, the joint action of other elements is responsible for this effect. In general, chemical modification was applied in the work for two reasons: to reduce the V volatility (in some cases losses at about 300 deg. C were observed) and to enhance the atomization efficiency. For routine analysis air ashing, modification by Pd introduced into the furnace together with the sample solution and petroleum products with known V content as standard is recommended. Using this procedure the characteristic mass varied from 16 to 19 pg for

Smart SERS Hot Spots: Single Molecules Can Be Positioned in a Plasmonic Nanojunction Using Host-Guest Chemistry.

Science.gov (United States)

Kim, Nam Hoon; Hwang, Wooseup; Baek, Kangkyun; Rohman, Md Rumum; Kim, Jeehong; Kim, Hyun Woo; Mun, Jungho; Lee, So Young; Yun, Gyeongwon; Murray, James; Ha, Ji Won; Rho, Junsuk; Moskovits, Martin; Kim, Kimoon

2018-04-04

Single-molecule surface-enhanced Raman spectroscopy (SERS) offers new opportunities for exploring the complex chemical and biological processes that cannot be easily probed using ensemble techniques. However, the ability to place the single molecule of interest reliably within a hot spot, to enable its analysis at the single-molecule level, remains challenging. Here we describe a novel strategy for locating and securing a single target analyte in a SERS hot spot at a plasmonic nanojunction. The "smart" hot spot was generated by employing a thiol-functionalized cucurbit[6]uril (CB[6]) as a molecular spacer linking a silver nanoparticle to a metal substrate. This approach also permits one to study molecules chemically reluctant to enter the hot spot, by conjugating them to a moiety, such as spermine, that has a high affinity for CB[6]. The hot spot can accommodate at most a few, and often only a single, analyte molecule. Bianalyte experiments revealed that one can reproducibly treat the SERS substrate such that 96% of the hot spots contain a single analyte molecule. Furthermore, by utilizing a series of molecules each consisting of spermine bound to perylene bisimide, a bright SERS molecule, with polymethylene linkers of varying lengths, the SERS intensity as a function of distance from the center of the hot spot could be measured. The SERS enhancement was found to decrease as 1 over the square of the distance from the center of the hot spot, and the single-molecule SERS cross sections were found to increase with AgNP diameter.

AtomDB: Expanding an Accessible and Accurate Atomic Database for X-ray Astronomy

Science.gov (United States)

Smith, Randall

Since its inception in 2001, the AtomDB has become the standard repository of accurate and accessible atomic data for the X-ray astrophysics community, including laboratory astrophysicists, observers, and modelers. Modern calculations of collisional excitation rates now exist - and are in AtomDB - for all abundant ions in a hot plasma. AtomDB has expanded beyond providing just a collisional model, and now also contains photoionization data from XSTAR as well as a charge exchange model, amongst others. However, building and maintaining an accurate and complete database that can fully exploit the diagnostic potential of high-resolution X-ray spectra requires further work. The Hitomi results, sadly limited as they were, demonstrated the urgent need for the best possible wavelength and rate data, not merely for the strongest lines but for the diagnostic features that may have 1% or less of the flux of the strong lines. In particular, incorporation of weak but powerfully diagnostic satellite lines will be crucial to understanding the spectra expected from upcoming deep observations with Chandra and XMM-Newton, as well as the XARM and Athena satellites. Beyond incorporating this new data, a number of groups, both experimental and theoretical, have begun to produce data with errors and/or sensitivity estimates. We plan to use this to create statistically meaningful spectral errors on collisional plasmas, providing practical uncertainties together with model spectra. We propose to continue to (1) engage the X-ray astrophysics community regarding their issues and needs, notably by a critical comparison with other related databases and tools, (2) enhance AtomDB to incorporate a large number of satellite lines as well as updated wavelengths with error estimates, (3) continue to update the AtomDB with the latest calculations and laboratory measurements, in particular velocity-dependent charge exchange rates, and (4) enhance existing tools, and create new ones as needed to

Variations of geothermometry and chemical-isotopic compositions of hot spring fluids in the Rehai geothermal field, southwestern China

Science.gov (United States)

Du, Jianguo; Liu, Congqiang; Fu, Bihong; Ninomiya, Yoshiki; Zhang, Youlian; Wang, Chuanyuan; Wang, Hualiu; Sun, Zigang

2005-04-01

Geothermal variations, origins of carbon-bearing components and reservoir temperatures in the Rehai geothermal field (RGF) of Tengchong volcanic area, Yunnan Province, southwestern China, are discussed on the basis of carbon isotope compositions, combined with helium isotope ratios and geothermal data from 1973 to 2000. δ 13C values of CO 2, CH 4, HCO 3-, CO 3= and travertine in the hot springs range from -7.6‰ to -1.18‰, -56.9‰ to -19.48‰, -6.7‰ to -4.2‰, -6.4‰ to -4.2‰ and -27.1‰ to +0.6‰, respectively. The carbon dioxide probably has a mantle/magma origin, but CH 4 and He have multiple origins. HCO 3- and CO 3= in RGF thermal fluids are predominantly derived from igneous carbon dioxide, but other ions originate from rocks through which the fluids circulate. The 13C values of CO 2, HCO 3- (aq) and CO 3= (aq) illustrate that isotopic equilibriums between CO 2 and HCO 3- (aq), and CO 3= (aq) and between DIC and travertine were not achieved, and no carbon isotope fractionation between HCO 3- (aq) and CO 3= (aq) of the hot springs in RGF was found. Using various geothermometers, temperatures of the geothermal reservoirs are estimated in a wide range from 69 °C to 450 °C that fluctuated from time to time. The best estimate of subsurface reservoir temperature may be 250-300 °C. Contributions of mantle fluids and shallow crust fluids in Rehai geothermal field varied with time, which resulted in variations of chemical and isotopic compositions and reservoir temperatures.

Development of a method for determination of metallic iron content within hot briquette iron (HBI for steelmaking

Directory of Open Access Journals (Sweden)

Morcali M.H.

2016-01-01

Full Text Available The growing use of metallic iron in metallurgy and industrial chemical applications requires a fast, easy and cheap method for the determination of metallic iron, not merely in recyclable materials, such as iron pellets, reduced iron mill scale dust, electric arc furnace dust and pig iron, but from hot briquette iron (HBI as well. This study investigates a new method for determination of metallic iron within HBI used for steel-making materials. The effects of reaction time, temperature, and stirring rate were studied. The concentration of iron was determined via Atomic Absorption Spectroscopy (AAS. After the optimization study, high-purity metallic iron powder (Sigma-Aldrich, PubChem Substance ID 24855469 was used to compare efficiencies and identify the optimum conditions; The present study was matched with international standard methods (BS ISO 5416:2006, IS 15774:2007. Results were consistent with certified values and metallic iron content could be determined within the 95% confidence level. The purposed method is easy, straightforward, and cheap.

Enhanced Electromagnetic and Chemical/Biological Sensing. Properties of Atomic Cluster-Derived Materials

National Research Council Canada - National Science Library

Schatz, George

2003-01-01

The Center for Atomic Clusters-derived Materials performed a broad range of research concerned with synthesizing, characterizing and utilizing atomic and molecular clusters, nanoparticles and nanomaterial...

Properties of hot luminous stars; Proceedings of the First Boulder-Munich Workshop, Boulder, CO, Aug. 6-11, 1988

International Nuclear Information System (INIS)

Garmany, C.D.

1990-01-01

Various papers on the properties of hot luminous stars are presented. Individual topics addressed include: problems in photometry of early-type stars; digital optical morphology of OB spectra; massive-star content of the Magellanic Clouds; observations of massive OB stars; LSS 3074, a new double-lined early O-type binary; non-LTE line blanketing with elements 1-28; non-LTE analysis of four PG1159 stars; rescaling method for model atmospheres of hot stars; stellar wind albedo effects on hot photospheres; atomic data and models for hot star abundance determinations; ring nebulae analysis as a probe for WR atmospheres; coordinated observations of P Cygni; radiation-driven winds of hot luminous stars; winds of O stars: velocities and ionization; methods of radiative transfer in expanding atmospheres; mass loss from extragalactic O stars; H-alpha observations of O- and B-type stars; applicability of steady models for hot-star winds; mass of the O6Iaf star HD 153919; stellar winds in Beta Lyrae; models of WR stars; observational abundances of WR stars, the all-variable WC7 binary HD193793

Chemical Sciences Division: Annual report 1992

International Nuclear Information System (INIS)

1993-10-01

The Chemical Sciences Division (CSD) is one of twelve research Divisions of the Lawrence Berkeley Laboratory, a Department of Energy National Laboratory. The CSD is composed of individual groups and research programs that are organized into five scientific areas: Chemical Physics, Inorganic/Organometallic Chemistry, Actinide Chemistry, Atomic Physics, and Physical Chemistry. This report describes progress by the CSD for 1992. Also included are remarks by the Division Director, a description of work for others (United States Office of Naval Research), and appendices of the Division personnel and an index of investigators. Research reports are grouped as Fundamental Interactions (Photochemical and Radiation Sciences, Chemical Physics, Atomic Physics) or Processes and Techniques (Chemical Energy, Heavy-Element Chemistry, and Chemical Engineering Sciences)

Hot helium flow test facility summary report

International Nuclear Information System (INIS)

1980-06-01

This report summarizes the results of a study conducted to assess the feasibility and cost of modifying an existing circulator test facility (CTF) at General Atomic Company (GA). The CTF originally was built to test the Delmarva Power and Light Co. steam-driven circulator. This circulator, as modified, could provide a source of hot, pressurized helium for high-temperature gas-cooled reactor (HTGR) and gas-cooled fast breeder reactor (GCFR) component testing. To achieve this purpose, a high-temperature impeller would be installed on the existing machine. The projected range of tests which could be conducted for the project is also presented, along with corresponding cost considerations

HOT 2014

DEFF Research Database (Denmark)

Lund, Henriette

Undersøgelse af, hvad der er hot - og hvad der burde være hot på læseområdet med 21 læsekyndige. Undersøgelsen er gennemført siden 2010. HOT-undersøgelsen er foretaget af Nationalt Videncenter for Læsning - Professionshøjskolerne i samarb. med Dansklærerforeningen...

Preliminary viability studies of fibroblastic cells cultured on microcrystalline and nanocrystalline diamonds produced by chemical vapour deposition method

Directory of Open Access Journals (Sweden)

Ana Amélia Rodrigues

2013-02-01

Full Text Available Implant materials used in orthopedics surgery have demonstrated some disadvantages, such as metallic corrosion processes, generation of wear particles, inflammation reactions and bone reabsorption in the implant region. The diamond produced through hot-filament chemical vapour deposition method is a new potential biomedical material due to its chemical inertness, extreme hardness and low coefficient of friction. In the present study we analysis two samples: the microcrystalline diamond and the nanocrystalline diamond. The aim of this study was to evaluate the surface properties of the diamond samples by scanning electron microscopy, Raman spectroscopy and atomic force microscopy. Cell viability and morphology were assessed using thiazolyl blue tetrazolium bromide, cytochemical assay and scanning electron microscopy, respectively. The results revealed that the two samples did not interfere in the cell viability, however the proliferation of fibroblasts cells observed was comparatively higher with the nanocrystalline diamond.

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

Anion Exchange in II-VI Semiconducting Nanostructures via Atomic Templating.

Science.gov (United States)

Agarwal, Rahul; Krook, Nadia M; Ren, Ming-Liang; Tan, Liang Z; Liu, Wenjing; Rappe, Andrew M; Agarwal, Ritesh

2018-03-14

Controlled chemical transformation of nanostructures is a promising technique to obtain precisely designed novel materials, which are difficult to synthesize otherwise. We report high-temperature vapor-phase anion-exchange reactions to chemically transform II-VI semiconductor nanostructures (100-300 nm length scale) while retaining the single crystallinity, crystal structure, morphology, and even defect distribution of the parent material via atomic templating. The concept of atomic templating is employed to obtain kinetically controlled, thermodynamically metastable structural phases such as zincblende CdSe and CdS from zincblende CdTe upon complete chemical replacement of Te with Se or S. The underlying transformation mechanisms are explained through first-principles density functional theory calculations. Atomic templating is a unique path to independently tune materials' phase and composition at the nanoscale, allowing the synthesis of novel materials.

Effects of Misasa hot spring water on the growth of vegetables (Joint research)

International Nuclear Information System (INIS)

Yamada, Satoshi; Kita, Makoto; Goto, Yukari; Ishimori, Yuu

2011-11-01

Tottori University and Japan Atomic Energy Agency started a joint study to investigate the effect of hot spring water on the growth of vegetable plants in 2009. The aim of the study is to examine a feasibility of producing a regionally special vegetable with considering the characteristics of the Misasa district, where radon hot springs are historically famous. This report illustrates the intermediate results obtained from the study carried out from 2009 to 2010. (1) Screening test: Eighteen plants were examined for screening. As the results, Misasa hot spring water used in the water culture enlarged the growths of 14 plants. Lastly, 9 plants were selected as candidate plants for further examinations. (2) Sample preparation: Plants sampled in the water culture were lyophilized and stored in a freezer for nutrio-physiological analyses to select the suitable plant from the 9 plants. (3) Examination in labor-saving cultivation: Preliminary examinations were performed with a large-scale system to establish a practical labor-saving water culture system. (author)

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.

Bremsstrahlung spectra for Al, Cs, and Au atoms in high-temperature, high-density plasmas

International Nuclear Information System (INIS)

Kim, L.; Pratt, R.H.; Tseng, H.K.

1985-01-01

Results are presented from a numerical calculation for the bremsstrahlung spectrum and Gaunt factors of Al, Cs, and Au atoms in high-temperature (-T), high-density (-rho) plasmas. Plasma temperatures kT = 0.1 and 1.0 keV and plasma densities rho = rho 0 (the normal solid density) and rho = 100rho 0 are considered. This allows us to determine the generality and identify the origins of features which we had previously identified in calculations for Cs. We also now present results for the total energy loss of an electron in such a plasma. We use a relativistic multipole code which treats the bremsstrahlung process as a single-electron transition in a static screened central potential. We take for the static potential corresponding to an atom in a hot dense plasma the finite-temperature, finite-density Thomas-Fermi model. This approach corresponds to an average atom in local thermodynamic equilibrium. In comparison to isolated-neutral-atom results we observe general suppression of cross sections and a particular suppression in the tip region of the spectrum. Within this model, both superscreening and shape resonances are found in the circumstances of extreme density. At more normal densities and except for the soft-photon end, the spectrum at these energies for an atom in a hot plasma (characterized by an average degree of ionization) can be well represented by the spectrum of the corresponding isolated ion, which has a similar potential shape at the distances which characterize the process

Microstructural characterization of Zr1Nb alloy after hot rolling

Energy Technology Data Exchange (ETDEWEB)

Souza, A.C. [Universidade Estadual do Mato Grosso do Sul (UEMS), MS (Brazil); Rossi, J.L.; Martinez, L.G.; Mucsi, C.S. [Instituto de Pesquisas Energéticas e Nucleares (IPEN/CNEN-SP), São Paulo, SP (Brazil); Tsakiropoulos, P. [University of Sheffield (United Kingdom); Ceoni, F.C.; Grandini, C.R. [Universidade Estadual Paulista Julio de Mesquita Filho (UNESP), SP (Brazil)

2016-07-01

Full text: The different research lines within the scope in engineering and materials science have developed new materials that can be used in different industrial sectors, such as, energy, health and transportation. For the nuclear industry, for example, the Zr alloys, are of great interest due to its good mechanical properties, excellent corrosion resistance and above all, the high permeability to thermal neutrons. In the health sector, the zirconium poses one of the lowest Young's modulus when compared to other metallic biomaterials, e.g., pure Zr is 68 GPa, bone mineral hydroxyapatite is 80 GPa, for Ti alloys is 90 GPa and above, for Nb is 105 GPa and stainless steels above 189 GPa. This is particularly important for implants in bones, whose elasticity modulus can reach 30 GPa and it is desirable an as close match as possible. However, the zirconium alloys, have great chemical affinity with oxygen and nitrogen. Moreover, oxides and nitrides may form during the melting process, heat treatment and hot rolling, changing the physic-chemical properties of the alloy. This experimental work shows the results of the evolution of the microstructure after hot rolling of the Zr1Nb alloy. It was possible to confirm the absence of formation of oxides and nitrides, thus confirming the of the experimental method of melting and hot rolling of the Zr1Nb alloy. (author)

Influence of average ion energy and atomic oxygen flux per Si atom on the formation of silicon oxide permeation barrier coatings on PET

Science.gov (United States)

Mitschker, F.; Wißing, J.; Hoppe, Ch; de los Arcos, T.; Grundmeier, G.; Awakowicz, P.

2018-04-01

The respective effect of average incorporated ion energy and impinging atomic oxygen flux on the deposition of silicon oxide (SiO x ) barrier coatings for polymers is studied in a microwave driven low pressure discharge with additional variable RF bias. Under consideration of plasma parameters, bias voltage, film density, chemical composition and particle fluxes, both are determined relative to the effective flux of Si atoms contributing to film growth. Subsequently, a correlation with barrier performance and chemical structure is achieved by measuring the oxygen transmission rate (OTR) and by performing x-ray photoelectron spectroscopy. It is observed that an increase in incorporated energy to 160 eV per deposited Si atom result in an enhanced cross-linking of the SiO x network and, therefore, an improved barrier performance by almost two orders of magnitude. Furthermore, independently increasing the number of oxygen atoms to 10 500 per deposited Si atom also lead to a comparable barrier improvement by an enhanced cross-linking.

Chromium 51 em K2CrO4: reactions of dopant atoms in solid state

International Nuclear Information System (INIS)

Valim, J.B.; Nascimento, R.L.G. do; Collins, C.H.; Collins, K.E.

1986-01-01

The study of the chemistry of 'dopant' 51 Cr(III) atoms in crystalline Cr(VI) compounds began as a sub-field of Hot Atom Chemistry. We shall review the attempts to use 'dopant' chromium-51 atoms as surrogate chromium recoil atoms with the special property of having a low-energy, recoil-dam-age-free history. These dopant atoms have shown behaviors very similar to those of high energy recoil 51 Gr atoms, thus offering little hope of learning about special damage site structures and reactions by behavioral differences. Recent work has shown that at least some of the 'dopant' 51 Cr(III) is present as a second, non-chromate solid phase in 'doped crystal' experiments. Monodisperse 51 Cr(OH) 3 particles mixed with pure K 2 CrO 4 are very reactive. (Author) [pt

For seeing atoms: tunnel effect microscopy

International Nuclear Information System (INIS)

Stoll, E.; Humbert, A.

1985-01-01

A new technique, Scanning Tunneling Microscopy (STM) is described, which allows surface detail to be resolved at atomic level. The principles are described, together with an account of a recent experiment; various theoretical considerations are examined. Samples of recorded topographies are depicted and analysed. It is concluded that the technique is of value for chemical studies of surfaces on an atomic scale. (D.A.J.)

Atomic Covalent Functionalization of Graphene

Science.gov (United States)

Johns, James E.; Hersam, Mark C.

2012-01-01

Conspectus Although graphene’s physical structure is a single atom thick, two-dimensional, hexagonal crystal of sp2 bonded carbon, this simple description belies the myriad interesting and complex physical properties attributed to this fascinating material. Because of its unusual electronic structure and superlative properties, graphene serves as a leading candidate for many next generation technologies including high frequency electronics, broadband photodetectors, biological and gas sensors, and transparent conductive coatings. Despite this promise, researchers could apply graphene more routinely in real-world technologies if they could chemically adjust graphene’s electronic properties. For example, the covalent modification of graphene to create a band gap comparable to silicon (~1 eV) would enable its use in digital electronics, and larger band gaps would provide new opportunities for graphene-based photonics. Towards this end, researchers have focused considerable effort on the chemical functionalization of graphene. Due to its high thermodynamic stability and chemical inertness, new methods and techniques are required to create covalent bonds without promoting undesirable side reactions or irreversible damage to the underlying carbon lattice. In this Account, we review and discuss recent theoretical and experimental work studying covalent modifications to graphene using gas phase atomic radicals. Atomic radicals have sufficient energy to overcome the kinetic and thermodynamic barriers associated with covalent reactions on the basal plane of graphene but lack the energy required to break the C-C sigma bonds that would destroy the carbon lattice. Furthermore, because they are atomic species, radicals substantially reduce the likelihood of unwanted side reactions that confound other covalent chemistries. Overall, these methods based on atomic radicals show promise for the homogeneous functionalization of graphene and the production of new classes of two

Ultra-dense hot low Z line transition opacity simulations

International Nuclear Information System (INIS)

Sauvan, P.; Minguez, E.; Gil, J.M.; Rodriguez, R.; Rubiano, J.G.; Martel, P.; Angelo, P.; Schott, R.; Philippe, F.; Leboucher-Dalimier, E.; Mancini, R.; Calisti, A.

2002-01-01

In this work two atomic physics models (the IDEFIX code using the dicenter model and the code based on parametric potentials ANALOP) have been used to calculate the opacities for bound-bound transitions in hot ultra-dense, low Z plasmas. These simulations are in connection with experiments carried out at LULI during the last two years, focused on bound-bound radiation. In this paper H-like opacities for aluminum and fluorine plasmas have been simulated, using both theoretical models, in a wide range of densities and temperatures higher than 200 eV

Polymerization of a divalent/tetravalent metal-storing atom-mimicking dendrimer

OpenAIRE

Albrecht, Ken; Hirabayashi, Yuki; Otake, Masaya; Mendori, Shin; Tobari, Yuta; Azuma, Yasuo; Majima, Yutaka; Yamamoto, Kimihisa

2016-01-01

The phenylazomethine dendrimer (DPA) has a layer-by-layer electron density gradient that is an analog of the Bohr atom (atom mimicry). In combination with electron pair mimicry, the polymerization of this atom-mimicking dendrimer was achieved. The valency of the mimicked atom was controlled by changing the chemical structure of the dendrimer. By mimicking a divalent atom, a one-dimensional (1D) polymer was obtained, and by using a planar tetravalent atom mimic, a 2D polymer was obtained. Thes...

Interaction between diffusion and chemical stresses

International Nuclear Information System (INIS)

Yang Fuqian

2005-01-01

The present work studies the interaction between chemical stresses and diffusion. A new relation between hydrostatic stress and concentration of solute atoms is established. For a solid free of action of body force, the Laplacian of the hydrostatic stress is proportional to the Laplacian of the concentration of solute atoms, that is, deviation of the hydrostatic stress from its local average is proportional to deviation of the local concentration of solute atoms. A general relationship among surface concentration of solute atoms, normal stress and surface deformation of a solid is then derived, in which the normal stress is dependent on the mean curvature of the undeformed surface and tangential components of the surface displacement. A closed-form solution of the steady state concentration of solute atoms in a thin plate is obtained. It turns out that linear distribution of solute atoms in the plate is non-existent due to the interaction between chemical stresses and diffusion

Study by electronic microscopy of corrosion features of graphite after hot oxidation (air, 620 C)

International Nuclear Information System (INIS)

Jodon de Villeroche, Suzanne

1968-01-01

The author reports the study of corrosion features of graphite after hot oxidation in the air at 620 C. It is based on observations made by electronic microscopy. This study comes after another one dedicated to oxidation features obtained by hot corrosion of natural graphite, and aims at comparing pyrolytic graphite before and after irradiation in an atomic pile, and at performing tests on a graphite processed with ozone. After a recall of generalities about natural graphite and of some issues related to hot corrosion of natural graphite, the author presents some characteristics and features of irradiated and non-irradiated pyrolytic graphite. He reports the study of the oxidation of samples of pyrolytic graphite: production of thin lamellae, production of glaze-carbon replicates, oxidation of irradiated and of non-irradiated graphite, healing of irradiation defects, and oxidation of ozone-processed natural graphite [fr

The relative reactivities of ethane, ethane-d6, n-butane and neopentane towards 'hot' tritium atoms

International Nuclear Information System (INIS)

Urch, D.S.; Welch, M.J.

1974-01-01

The reactions of recoil tritium with ethane-butane, and ethane-neopentane mixtures have been studied in the presence and absence of helium moderator. It is shown that the larger molecules are labelled by recoil atoms of a higher mean energy than those which label ethane. It is also shown that hydrogen atoms at CH 2 sites are replaced by higher energy tritium atoms than those at CH 3 sites. An analogy is drawn with the abstraction reaction and a simple unified model for high-energy recoil tritium reactions at a C-H site is proposed. The more complex the other groups attached to the carbon the greater the mean energy of the recoil atoms reacting with the C-H bond. Experiments with ethane-d 6 established that the primary isotope effect for abstraction is comparable to that for displacement with a value of 1.25 approximately 1.30. (orig.) [de

The Gas-Phase Formation of Methyl Formate in Hot Molecular Cores

Science.gov (United States)

Horn, Anne; Møllendal, Harald; Sekiguchi, Osamu; Uggerud, Einar; Roberts, Helen; Herbst, Eric; Viggiano, A. A.; Fridgen, Travis D.

2004-08-01

Methyl formate, HCOOCH3, is a well-known interstellar molecule prominent in the spectra of hot molecular cores. The current view of its formation is that it occurs in the gas phase from precursor methanol, which is synthesized on the surfaces of grain mantles during a previous colder era and evaporates while temperatures increase during the process of high-mass star formation. The specific reaction sequence thought to form methyl formate, the ion-molecule reaction between protonated methanol and formaldehyde followed by dissociative recombination of the protonated ion [HCO(H)OCH3]+, has not been studied in detail in the laboratory. We present here the results of both a quantum chemical study of the ion-molecule reaction between [CH3OH2]+ and H2CO as well as new experimental work on the system. In addition, we report theoretical and experimental studies for a variety of other possible gas-phase reactions leading to ion precursors of methyl formate. The studied chemical processes leading to methyl formate are included in a chemical model of hot cores. Our results show that none of these gas-phase processes produces enough methyl formate to explain its observed abundance.

HOT 2010

DEFF Research Database (Denmark)

Lund, Henriette Romme

En undersøgelse af, hvad der er hot - og burde være hot på læseområdet. I undersøgelsen deltager en række læsekyndige fra praksisfeltet, professionshøjskolerne og forskningsområdet. Undersøgelsen er gentaget hvert år siden 2010.......En undersøgelse af, hvad der er hot - og burde være hot på læseområdet. I undersøgelsen deltager en række læsekyndige fra praksisfeltet, professionshøjskolerne og forskningsområdet. Undersøgelsen er gentaget hvert år siden 2010....

HOT 2013

DEFF Research Database (Denmark)

Lund, Henriette Romme

En undersøgelse af, hvad der er hot - og burde være hot på læseområdet. I undersøgelsen deltager en række læsekyndige fra praksisfeltet, professionshøjskolerne og forskningsområdet. Undersøgelsen er gentaget hvert år siden 2010.......En undersøgelse af, hvad der er hot - og burde være hot på læseområdet. I undersøgelsen deltager en række læsekyndige fra praksisfeltet, professionshøjskolerne og forskningsområdet. Undersøgelsen er gentaget hvert år siden 2010....

Fe3−δO4/MgO/Co magnetic tunnel junctions synthesized by full in situ atomic layer and chemical vapour deposition

International Nuclear Information System (INIS)

Mantovan, R; Vangelista, S; Kutrzeba-Kotowska, B; Lamperti, A; Fanciulli, M; Manca, N; Pellegrino, L

2014-01-01

Fe 3−δ O 4 /MgO/Co magnetic tunnel junctions (MTJs) are synthesized on top of ∼1 inch Si/SiO 2 substrates by conducting a full in situ chemical vapour and atomic layer deposition process with no vacuum break. Tunnel magnetoresistance up to 6% is measured at room temperature, increasing to 12.5% at 120 K. Our results demonstrate the possibility of using full-chemical processes to synthesize functional MTJs, and this could provide a path towards the use of cost-effective methods to produce magnetic devices on a large scale. (fast track communication)

Suppression of sawtooth oscillations due to hot electrons and hot ions

International Nuclear Information System (INIS)

Zhang, Y.Z.; Berk, H.L.

1989-01-01

The theory of m = 1 kink mode stabilization is discussed in the presence of either magnetically trapped hot electrons or hot ions. For instability hot ion requires particles peaked inside the q = 1 surface, while hot electrons require that its pressure profile be increasing at the q = 1 surface. Experimentally observed sawtooth stabilization usually occurs with off-axis heating with ECRH and near axis heating with ICRH. Such heating may produce the magnetically trapped hot particle pressure profiles that are consistent with theory. 17 refs., 2 figs

Near-room temperature deposition of W and WO3 thin films by hydrogen atom assisted chemical vapor deposition

International Nuclear Information System (INIS)

Lee, W.W.; Reeves, R.R.

1992-01-01

A novel near-room temperatures CVD process has been developed using H-atoms reaction with WF 6 to produced tungsten and tungsten oxide films. The chemical, physical and electrical properties of these films were studied. Good adhesion and low resistivity of W films were measured. Conformal WO 3 films were obtained on columnar tungsten using a small amount of molecular oxygen in the gas stream. A reaction mechanism was evaluated on the basis of experimental results. The advantages of the method include deposition of adherent films in a plasma-free environment, near-room temperature, with a low level of impurity

Atom-scale depth localization of biologically important chemical elements in molecular layers.

Science.gov (United States)

Schneck, Emanuel; Scoppola, Ernesto; Drnec, Jakub; Mocuta, Cristian; Felici, Roberto; Novikov, Dmitri; Fragneto, Giovanna; Daillant, Jean

2016-08-23

In nature, biomolecules are often organized as functional thin layers in interfacial architectures, the most prominent examples being biological membranes. Biomolecular layers play also important roles in context with biotechnological surfaces, for instance, when they are the result of adsorption processes. For the understanding of many biological or biotechnologically relevant phenomena, detailed structural insight into the involved biomolecular layers is required. Here, we use standing-wave X-ray fluorescence (SWXF) to localize chemical elements in solid-supported lipid and protein layers with near-Ångstrom precision. The technique complements traditional specular reflectometry experiments that merely yield the layers' global density profiles. While earlier work mostly focused on relatively heavy elements, typically metal ions, we show that it is also possible to determine the position of the comparatively light elements S and P, which are found in the most abundant classes of biomolecules and are therefore particularly important. With that, we overcome the need of artificial heavy atom labels, the main obstacle to a broader application of high-resolution SWXF in the fields of biology and soft matter. This work may thus constitute the basis for the label-free, element-specific structural investigation of complex biomolecular layers and biological surfaces.

Chemistry of the organic-rich hot core G327.3-0.6

Science.gov (United States)

Gibb, E.; Nummelin, A.; Irvine, W. M.; Whittet, D. C.; Bergman, P.; Ferris, J. P. (Principal Investigator)

2000-01-01

We present gas-phase abundances of species found in the organic-rich hot core G327.3-0.6. The data were taken with the Swedish-ESO Submillimetre Telescope (SEST). The 1-3 mm spectrum of this source is dominated by emission features of nitrile species and saturated organics, with abundances greater than those found in many other hot cores, including Sgr B2 and OMC-1. Population diagram analysis indicates that many species (CH3CN, C2H3CN, C2H5CN, CH3OH, etc.) have hot components that originate in a compact (2") region. Gas-phase chemical models cannot reproduce the high abundances of these molecules found in hot cores, and we suggest that they originate from processing and evaporation of icy grain mantle material. In addition, we report the first detection of vibrationally excited ethyl cyanide and the first detection of methyl mercaptan (CH3SH) outside the Galactic center.

Thermal chemical-mechanical reactive flow model of shock initiation in solid explosives

International Nuclear Information System (INIS)

Nicholls, A.L. III; Tarver, C.M.

1998-01-01

The three dimensional Arbitrary Lagrange Eulerian hydrodynamic computer code ALE3D with fully coupled thermal-chemical-mechanical material models provides the framework for the development of a physically realistic model of shock initiation and detonation of solid explosives. The processes of hot spot formation during shock compression, subsequent ignition of reaction or failure to react, growth of reaction in individual hot spots, and coalescence of reacting hot spots during the transition to detonation can now be modeled using Arrhenius chemical kinetic rate laws and heat transfer to propagate the reactive flow. This paper discusses the growth rates of reacting hot spots in HMX and TATB and their coalescence during shock to detonation transition. Hot spot deflagration rates are found to be fast enough to consume explosive particles less than 10 mm in diameter during typical shock duration times, but larger particles must fragment and create more reactive surface area in order to be rapidly consumed