Enhanced energy deposition symmetry by hot electron transport

International Nuclear Information System (INIS)

Wilson, D.; Mack, J.; Stover, E.; VanHulsteyn, D.; McCall, G.; Hauer, A.

1981-01-01

High energy electrons produced by resonance absorption carry the CO 2 laser energy absorbed in a laser fusion pellet. The symmetrization that can be achieved by lateral transport of the hot electrons as they deposit their energy is discussed. A K/sub α/ experiment shows a surprising symmetrization of energy deposition achieved by adding a thin layer of plastic to a copper sphere. Efforts to numerically model this effect are described

Thermal energy storage in granular deposits

Science.gov (United States)

Ratuszny, Paweł

2017-10-01

Energy storage technology is crucial for the development of the use of renewable energy sources. This is a substantial constraint, however it can, to some extent, be solved by storing energy in its various forms: electrical, mechanical, chemical and thermal. This article presents the results of research in thermal properties of granular deposits. Correlation between temperature changes in the stores over a period of time and their physical properties has been studied. The results of the research have practical application in designing thermal stores based on bulk materials and ground deposits. Furthermore, the research results are significant for regeneration of the lower ground sources for heat pumps and provide data for designing ground heat exchangers for ventilation systems.

X-ray amplifier energy deposition scaling with channeled propagation

International Nuclear Information System (INIS)

Boyer, K.; Luk, T.S.; McPherson, A.

1991-01-01

The spatial control of the energy deposited for excitation of an x-ray amplifier plays an important role in the fundamental scaling relationship between the required energy, the gain and the wavelength. New results concerning the ability to establish confined modes of propagation of sort pulse radiation of sufficiently high intensity in plasmas lead to a sharply reduced need for the total energy deposited, since the concentration of deposited power can be very efficiently organized

Ionizing Energy Depositions After Fast Neutron Interactions in Silicon

CERN Document Server

Bergmann, Benedikt; Caicedo, Ivan; Kierstead, James; Takai, Helio; Frojdh, Erik

2016-01-01

In this study we present the ionizing energy depositions in a 300 μm thick silicon layer after fast neutron impact. With the Time-of-Flight (ToF) technique, the ionizing energy deposition spectra of recoil silicons and secondary charged particles were assigned to (quasi-)monoenergetic neutron energies in the range from 180 keV to hundreds of MeV. We show and interpret representative measured energy spectra. By separating the ionizing energy losses of the recoil silicon from energy depositions by products of nuclear reactions, the competition of ionizing (IEL) and non-ionizing energy losses (NIEL) of a recoil silicon within the silicon lattice was investigated. The data give supplementary information to the results of a previous measurement and are compared with different theoretical predictions.

Measurement of the energy flow at large pseudorapidities for {radical}(s)=0.9 TeV and {radical}(s)=7 TeV at the large hadron collider using the compact muon solenoid

Energy Technology Data Exchange (ETDEWEB)

Sen, Niladri

2011-11-15

Energy flow, dE/d{eta}, has been measured in proton-proton collisions at the lhc, for two centre-of-mass energies, {radical}(s)=0.9 TeV and 7 TeV, using an integrated luminosity of 239 {mu}b{sup -1} and 206 {mu}b{sup -1} respectively. The measurements were made in a previously unexplored phase space (3.15 < vertical stroke {eta} vertical stroke < 4.9) using the CMS detector for two separate event topologies: minimum bias events and events with a hard scale set by the transverse momentum of the jets in a di-jet system. Data from each of the measurements have been compared to leading order Monte Carlo pp-collision event generators that use k{sub T}{sup 2}-, Q{sup 2}- and angular-ordered parton showers. The forward energy ow measurements are shown to be sensitive to the models and tuning parameters in both their shape and magnitude. The necessity of underlying event models in order to describe data will be demonstrated. In addition, predictions from cosmic-ray event generators are shown to describe data consistently well for each of the measurements. (orig.)

Effect of Energy Input on the Characteristic of AISI H13 and D2 Tool Steels Deposited by a Directed Energy Deposition Process

Science.gov (United States)

Park, Jun Seok; Park, Joo Hyun; Lee, Min-Gyu; Sung, Ji Hyun; Cha, Kyoung Je; Kim, Da Hye

2016-05-01

Among the many additive manufacturing technologies, the directed energy deposition (DED) process has attracted significant attention because of the application of metal products. Metal deposited by the DED process has different properties than wrought metal because of the rapid solidification rate, the high thermal gradient between the deposited metal and substrate, etc. Additionally, many operating parameters, such as laser power, beam diameter, traverse speed, and powder mass flow rate, must be considered since the characteristics of the deposited metal are affected by the operating parameters. In the present study, the effect of energy input on the characteristics of H13 and D2 steels deposited by a direct metal tooling process based on the DED process was investigated. In particular, we report that the hardness of the deposited H13 and D2 steels decreased with increasing energy input, which we discuss by considering microstructural observations and thermodynamics.

Low temperature (< 100 °C) deposited P-type cuprous oxide thin films: Importance of controlled oxygen and deposition energy

International Nuclear Information System (INIS)

Li, Flora M.; Waddingham, Rob; Milne, William I.; Flewitt, Andrew J.; Speakman, Stuart; Dutson, James; Wakeham, Steve; Thwaites, Mike

2011-01-01

With the emergence of transparent electronics, there has been considerable advancement in n-type transparent semiconducting oxide (TSO) materials, such as ZnO, InGaZnO, and InSnO. Comparatively, the availability of p-type TSO materials is more scarce and the available materials are less mature. The development of p-type semiconductors is one of the key technologies needed to push transparent electronics and systems to the next frontier, particularly for implementing p–n junctions for solar cells and p-type transistors for complementary logic/circuits applications. Cuprous oxide (Cu 2 O) is one of the most promising candidates for p-type TSO materials. This paper reports the deposition of Cu 2 O thin films without substrate heating using a high deposition rate reactive sputtering technique, called high target utilisation sputtering (HiTUS). This technique allows independent control of the remote plasma density and the ion energy, thus providing finer control of the film properties and microstructure as well as reducing film stress. The effect of deposition parameters, including oxygen flow rate, plasma power and target power, on the properties of Cu 2 O films are reported. It is known from previously published work that the formation of pure Cu 2 O film is often difficult, due to the more ready formation or co-formation of cupric oxide (CuO). From our investigation, we established two key concurrent criteria needed for attaining Cu 2 O thin films (as opposed to CuO or mixed phase CuO/Cu 2 O films). First, the oxygen flow rate must be kept low to avoid over-oxidation of Cu 2 O to CuO and to ensure a non-oxidised/non-poisoned metallic copper target in the reactive sputtering environment. Secondly, the energy of the sputtered copper species must be kept low as higher reaction energy tends to favour the formation of CuO. The unique design of the HiTUS system enables the provision of a high density of low energy sputtered copper radicals/ions, and when combined with a

Standard Gibbs free energies of reactions of ozone with free radicals in aqueous solution: quantum-chemical calculations.

Science.gov (United States)

Naumov, Sergej; von Sonntag, Clemens

2011-11-01

Free radicals are common intermediates in the chemistry of ozone in aqueous solution. Their reactions with ozone have been probed by calculating the standard Gibbs free energies of such reactions using density functional theory (Jaguar 7.6 program). O(2) reacts fast and irreversibly only with simple carbon-centered radicals. In contrast, ozone also reacts irreversibly with conjugated carbon-centered radicals such as bisallylic (hydroxycylohexadienyl) radicals, with conjugated carbon/oxygen-centered radicals such as phenoxyl radicals, and even with nitrogen- oxygen-, sulfur-, and halogen-centered radicals. In these reactions, further ozone-reactive radicals are generated. Chain reactions may destroy ozone without giving rise to products other than O(2). This may be of importance when ozonation is used in pollution control, and reactions of free radicals with ozone have to be taken into account in modeling such processes.

Advances in energy deposition theory

International Nuclear Information System (INIS)

Paretzke, H.G.

1980-01-01

In light of the fields of radiation protection and dosimetric problems in medicine, advances in the area of microscopic target related studies are discussed. Energy deposition is discussed with emphasis upon track structures of electrons and heavy charged particles and track computer calculations

Science of mineral deposits and economics of energy

International Nuclear Information System (INIS)

Mackowsky, M.T.

1978-01-01

The availability of fossile energy carriers is investigated with regard to raw material reserves and their know deposits, by means of output and consumption. According to the author's opinion its discussion should have a priority over all discussions concerning energy crisis, energy supply and environmental protection. The author also touches the high measure of political problems beside the geoscientifical and technological problems of raw material supply. He briefly points to the general situation on the energy market with the help of data on stocks and consumption as given by the 10th International Energy Conference 1977 at Istambul and eventually deals with topics on mineral deposits science and uranium production. (HK) [de

Energy-enhanced atomic layer deposition : offering more processing freedom

NARCIS (Netherlands)

Potts, S.E.; Kessels, W.M.M.

2013-01-01

Atomic layer deposition (ALD) is a popular deposition technique comprising two or more sequential, self-limiting surface reactions, which make up an ALD cycle. Energy-enhanced ALD is an evolution of traditional thermal ALD methods, whereby energy is supplied to a gas in situ in order to convert a

Relation between track structure and LET effect on free radical formation for ion beam-irradiated alanine dosimeter

International Nuclear Information System (INIS)

Krushev, V.V.; Koizumi, Hitoshi; Ichikawa, Tsuneki; Yoshida, Hiroshi; Shibata, Hiromi; Tagawa, Seiichi; Yoshida, Yoichi

1994-01-01

The yield and local concentration of free radicals generated from alanine (α-aminopropionic acid) by irradiation with 3 MeV H + and He + ions were examined by means of electron spin resonance (ESR) and ESR power saturation methods at room temperature. The G-value of the radical formation showed a marked dependence on linear energy transfer (LET) of the ions. The G-value for the H + ion (average LET: 28 eV/nm) was almost the same as that for γ-irradiation and it was smaller by a factor of 1/4.7 for the He + ion (average LET: 225eV/nm). Combining the local concentration of the free radicals along the ion tracks with the G-values and the reported ion range, the radius of a track filled with free radicals was estimated to be 4 ∼ 5 nm by assuming a simple rod-shaped track with a constant radius and homogeneous distribution of the free radicals in it. The track radius scarcely depends on the LET within the range examined. The radiation energy deposited in the core region of the ion track was concluded to spread over the rod to generate free radicals. (author)

Energy deposition in STARFIRE reactor components

International Nuclear Information System (INIS)

Gohar, Y.; Brooks, J.N.

1985-04-01

The energy deposition in the STARFIRE commercial tokamak reactor was calculated based on detailed models for the different reactor components. The heat deposition and the 14 MeV neutron flux poloidal distributions in the first wall were obtained. The poloidal surface heat load distribution in the first wall was calculated from the plasma radiation. The Monte Carlo method was used for the calculation to allow an accurate modeling for the reactor geometry

Improving the characteristics of Sn-doped In2O2 grown at room temperature with oxygen radical-assisted electron beam deposition

Science.gov (United States)

Oh, Min-Suk; Seo, Inseok

2017-07-01

Sn-doped In2O3 (Indium tin oxide, ITO) is widely utilized in numerous industrial applications due to its high electrical conductivity and high optical transmittance in the visible region. High quality ITO thin-films have been grown at room temperature by oxygen radical assisted e-beam evaporation without any post annealing or plasma treatment. The introduction of oxygen radicals during e-beam growth greatly improved the surface morphology and structural properties of the ITO films. The obtained ITO film exhibits higher carrier mobility of 43.2 cm2/V·s and larger optical transmittance of 84.6%, resulting in a higher figure of merit of ˜ 2.8 × 10-2 Ω-1, which are quite comparable to the ITO film deposited by conventional e-beam evaporation. These results show that ITO films grown by oxygen radical assisted e-beam evaporation at room temperature with high optical transmittance and high electron conductivity have a great potential for organic optoelectronic devices.

TLD gamma-ray energy deposition measurements in the zero energy fast reactor ZEBRA

International Nuclear Information System (INIS)

Knipe, A.D.

1977-01-01

A recent study of gamma-ray energy deposition was carried out in the Zebra reactor at AEE Winfrith during a collaborative programme between the UKAEA and PNC of Japan. The programme was given the title MOZART. This paper describes the TLD experiments in the MOZART MZB assembly and discusses the technique and various corrections necessary to relate the measured quantity to the calculated energy deposition

Effects of Energy Deposition Characteristics on Localised Forced Ignition of Homogeneous Mixtures

Directory of Open Access Journals (Sweden)

Dipal Patel

2015-06-01

Full Text Available The effects of the characteristic width of the energy deposition profile and the duration of energy deposition by the ignitor on localised forced ignition of stoichiometric and fuel-lean homogeneous mixtures have been analysed using simplified chemistry three-dimensional compressible Direct Numerical Simulation (DNS for different values of root-mean-square turbulent velocity fluctuation. The localised forced ignition is modelled using a source term in the energy transport equation, which deposits energy in a Gaussian manner from the centre of the ignitor over a stipulated period of time. It has been shown that the width of ignition energy deposition and the duration over which ignition energy is deposited have significant influences on the success of ignition and subsequent flame propagation. An increase in the width of ignition energy deposition (duration of energy deposition for a given amount of ignition energy has been found to have a detrimental effect on the ignition event, which may ultimately lead to misfire. Moreover, an increase in u′ gives rise to augmented heat transfer rate from the hot gas kernel, which in turn leads to a reduction in the extent of overall burning for both stoichiometric and fuel-lean homogeneous mixtures but the detrimental effects of high values of u′ on localised ignition are particularly prevalent for fuel-lean mixtures.

Muoniated acyl and thioacyl radicals

International Nuclear Information System (INIS)

McKenzie, Iain; Brodovitch, Jean-Claude; Ghandi, Khashayar; Percival, Paul W.

2006-01-01

The product of the reaction of muonium with tert-butylisocyanate was previously assigned as the muoniated tert-butylaminyl radical (I. McKenzie, J.-C. Brodovitch, K. Ghandi, S. Kecman, P. W. Percival, Physica B 326 (2003) 76). This assignment is incorrect since the muon and 14 N hyperfine-coupling constants (hfcc) of this radical would have the opposite sign, which is in conflict with the experimental results. The radical is now reassigned as the muoniated N-tert-butylcarbamoyl radical, based on the similarities between the experimental muon and 14 N hfcc and hfcc calculated at the UB3LYP/6-311G(d,p)//UB3LYP/EPR-III level. The large zero-point energy in the N-Mu bond results in the dissociation barrier of the muoniated N-tert-butylcarbamoyl radical being above the combined energy of the reactants, in contrast to the N-tert-butylcarbamoyl radical where the dissociation barrier lies below the combined energy of the reactants. The reaction of muonium with tert-butylisothiocyanate produced both conformers of the muoniated N-tert-butylthiocarbamoyl radical and their assignment was based on the similarities between the experimental and calculated muon hfcc. These are the first acyl and thioacyl radicals to be directly detected by muon spin spectroscopy

Muoniated acyl and thioacyl radicals

Energy Technology Data Exchange (ETDEWEB)

McKenzie, Iain [TRIUMF and Department of Chemistry, 8888 University Drive, Simon Fraser University, Burnaby B.C., V5A 1S6 (Canada); Brodovitch, Jean-Claude [TRIUMF and Department of Chemistry, 8888 University Drive, Simon Fraser University, Burnaby B.C., V5A 1S6 (Canada); Ghandi, Khashayar [TRIUMF and Department of Chemistry, 8888 University Drive, Simon Fraser University, Burnaby B.C., V5A 1S6 (Canada); Percival, Paul W. [TRIUMF and Department of Chemistry, 8888 University Drive, Simon Fraser University, Burnaby B.C., V5A 1S6 (Canada)]. E-mail: percival@sfu.ca

2006-03-31

The product of the reaction of muonium with tert-butylisocyanate was previously assigned as the muoniated tert-butylaminyl radical (I. McKenzie, J.-C. Brodovitch, K. Ghandi, S. Kecman, P. W. Percival, Physica B 326 (2003) 76). This assignment is incorrect since the muon and {sup 14}N hyperfine-coupling constants (hfcc) of this radical would have the opposite sign, which is in conflict with the experimental results. The radical is now reassigned as the muoniated N-tert-butylcarbamoyl radical, based on the similarities between the experimental muon and {sup 14}N hfcc and hfcc calculated at the UB3LYP/6-311G(d,p)//UB3LYP/EPR-III level. The large zero-point energy in the N-Mu bond results in the dissociation barrier of the muoniated N-tert-butylcarbamoyl radical being above the combined energy of the reactants, in contrast to the N-tert-butylcarbamoyl radical where the dissociation barrier lies below the combined energy of the reactants. The reaction of muonium with tert-butylisothiocyanate produced both conformers of the muoniated N-tert-butylthiocarbamoyl radical and their assignment was based on the similarities between the experimental and calculated muon hfcc. These are the first acyl and thioacyl radicals to be directly detected by muon spin spectroscopy.

The games radicals play : special issue on free radicals and radical ions

OpenAIRE

Walton, J.C.; Williams, F.

2015-01-01

Chemistry and Physics have aptly been described as “most excellent children of Intellect and Art” [1]. Both these “children” engage with many playthings, and molecules rank as one of their first favorites, especially radicals, which are amongst the most lively and exciting. Checking out radicals dancing to the music of entropy round their potential energy ballrooms is surely both entertaining and enlightening. Radicals’ old favorite convolutions are noteworthy, but the new styles, modes and a...

Mechanical characteristics of a tool steel layer deposited by using direct energy deposition

Science.gov (United States)

Baek, Gyeong Yun; Shin, Gwang Yong; Lee, Eun Mi; Shim, Do Sik; Lee, Ki Yong; Yoon, Hi-Seak; Kim, Myoung Ho

2017-07-01

This study focuses on the mechanical characteristics of layered tool steel deposited using direct energy deposition (DED) technology. In the DED technique, a laser beam bonds injected metal powder and a thin layer of substrate via melting. In this study, AISI D2 substrate was hardfaced with AISI H13 and M2 metal powders for mechanical testing. The mechanical and metallurgical characteristics of each specimen were investigated via microstructure observation and hardness, wear, and impact tests. The obtained characteristics were compared with those of heat-treated tool steel. The microstructures of the H13- and M2-deposited specimens show fine cellular-dendrite solidification structures due to melting and subsequent rapid cooling. Moreover, the cellular grains of the deposited M2 layer were smaller than those of the H13 structure. The hardness and wear resistance were most improved in the M2-deposited specimen, yet the H13-deposited specimen had higher fracture toughness than the M2-deposited specimen and heat-treated D2.

Epitaxial growth of InN on c-plane sapphire by pulsed laser deposition with r.f. nitrogen radical source

International Nuclear Information System (INIS)

Ohta, J.; Fujioka, H.; Honke, T.; Oshima, M.

2004-01-01

We have grown InN films on c-plane sapphire substrates by pulsed laser deposition (PLD) with a radio frequency nitrogen radical source for the first time and investigated the effect of the substrate surface nitridation on the structural and electrical properties of InN films with reflection high energy electron diffraction (RHEED), atomic force microscope, the Hall effect measurements and high-resolution X-ray diffraction (HRXRD). RHEED and HRXRD characterizations revealed that high-quality InN grows epitaxially on sapphire by PLD and its epitaxial relationship is InN (0 0 0 1) parallel sapphire (0 0 0 1) and InN [2 -1 -1 0] parallel sapphire [1 0 -1 0]. The InN crystalline quality and the electron mobility are improved by the substrate nitridation process. The area of the pits at the InN surface is reduced by the substrate nitridation process probably due to the reduction in the interface energy between InN and the substrate. The full width at half maximum of the -1 -1 2 4 X-ray rocking curve for InN grown by the present technique without using any buffer layers was as small as 34.8 arcmin. These results indicate that the present technique is promising for the growth of the high-quality InN films

INFRARED AND ULTRAVIOLET SPECTRA OF METHANE DILUTED IN SOLID NITROGEN AND IRRADIATED WITH ELECTRONS DURING DEPOSITION AT VARIOUS TEMPERATURES

International Nuclear Information System (INIS)

Chin, Chih-Hao; Chen, Sian-Cong; Liu, Meng-Chen; Huang, Tzu-Ping; Wu, Yu-Jong

2016-01-01

We recorded the infrared and ultraviolet absorption spectra of CH 4 :N 2 matrix samples that underwent electron bombardment during deposition in the temperature range of 10–44 K. In contrast to a previous experiment on the IR spectroscopy of electron-bombarded icy samples, methyl and azide radicals became the main products upon electron bombardment during deposition; furthermore, reduced production of nitrile species was observed for deposition at 10 and 20 K. On the other hand, for deposition above 33 K, the observed bands of the radical species (such as methyl and azide) decreased, and bands of large nitriles appeared. This observation may suggest that radical species easily diffuse and recombine to form more complex molecules in solid nitrogen at higher temperatures. Further measurements of similar samples at 10–33 K in the UV region revealed the intense band of azide radicals at 272.5 nm and weak, broad, overlapping features of methyl and azide radicals in the 225–197 nm region. For deposition at 44 K, only a broad feature centered at 219.4 nm was observed, and the possible carriers of nitrile species were proposed based on the corresponding IR spectrum and theoretical predictions of excitation energy. This band is similar to the observed absorption feature of Pluto’s surface recorded by the Hubble telescope in terms of both band position and bandwidth. Our findings therefore further support the suggestion that complex nitrile species may exist on the surface of Pluto.

Kinetic study on hot-wire-assisted atomic layer deposition of nickel thin films

International Nuclear Information System (INIS)

Yuan, Guangjie; Shimizu, Hideharu; Momose, Takeshi; Shimogaki, Yukihiro

2014-01-01

High-purity Ni films were deposited using hot-wire-assisted atomic layer deposition (HW-ALD) at deposition temperatures of 175, 250, and 350 °C. Negligible amount of nitrogen or carbon contamination was detected, even though the authors used NH 2 radical as the reducing agent and nickelocene as the precursor. NH 2 radicals were generated by the thermal decomposition of NH 3 with the assist of HW and used to reduce the adsorbed metal growth precursors. To understand and improve the deposition process, the kinetics of HW-ALD were analyzed using a Langmuir-type model. Unlike remote-plasma-enhanced atomic layer deposition, HW-ALD does not lead to plasma-induced damage. This is a significant advantage, because the authors can supply sufficient NH 2 radicals to deposit high-purity metallic films by adjusting the distance between the hot wire and the substrate. NH 2 radicals have a short lifetime, and it was important to use a short distance between the radical generation site and substrate. Furthermore, the impurity content of the nickel films was independent of the deposition temperature, which is evidence of the temperature-independent nature of the NH 2 radical flux and the reactivity of the NH 2 radicals

Evaluation of effective energy deposition in test fuel during power burst experiment in NSRR

International Nuclear Information System (INIS)

Ohnishi, Nobuaki; Inabe, Teruo

1982-01-01

In an inpile experiment to study the fuel behavior under reactivity-initiated accident conditions, it is of great importance to understand the time-dependent characteristics of the energy deposited in the test fuel by burst power. The evaluation of the time-dependent energy deposition requires the knowledge of the fission rates and energy deposition per fission in the test fuel, both as a function of time. In the present work, the authors attempted to evaluate the relative fission rate change in the test fuel subjected to the power burst testing in the NSRR through the measurements and analyses of the fission power changes in the NSRR. Utilizing a micro fission chamber and a conventional larger fission chamber, they successfully measured the reactor fission power change ranging over a dozen of decades in magnitude and a thousand seconds in time. The measured power transient agreed quite well with calculated results. In addition, the time-dependent energy deposition per fission in the test fuel including the energy contribution from the driver core was analytically evaluated. The analyses indicate that the energy of about 175 MeV/fission is promptly deposited in the test fuel and that the additional energy of about 11 MeV is deposited afterwards. Finally the fractions of energy deposited in the test fuel until various times after power burst were determined by coupling the time-dependent relative fissions and energy deposition per fission in the test fuel. The prompt energy deposition ranges from about 50 to 80% of the total energy deposition for the reactivity insertion between 1.5 and 4.7 $, and the remaining is the delayed energy deposition. (author)

Fragmentation characteristics of the unstable [CH3 CO][radical sign] radicals generated by neutralization of [CH3CO]+ cations

Science.gov (United States)

Hop, C. E. C. A.; Holmes, J. L.

1991-03-01

The stability and fragmentation characteristics of [CH3 CO][radical sign] radicals, generated by vertical charge exchange between acetyl cations and permanent gases or metal vapours (He, Xe, NO, Cd, Na and K), were examined mass spectrometrically. Two dissociation reactions were observed, the losses of CH[radical sign]3 and H[radical sign]. The H[radical sign] loss reaction, the higher energy dissociation, became of greater importance as the exothermicity of the charge exchange was increased. Based on the analysis of the kinetic energy releases it was concluded that these decompositions arose from the population of two excited states of the [CH3 CO][radical sign] radical.

Modeling the energy deposition in the Aurora KrF laser amplifier chain

International Nuclear Information System (INIS)

Comly, J.C.; Czuchlewski, S.J.; Greene, D.P.; Hanson, D.E.; Krohn, B.J.; McCown, A.W.

1988-01-01

Monte Carlo calculations model the energy depositions by highly energetic electron beams into the cavities of the four KrF laser amplifiers in the Aurora chain. Deposited energy density distributions are presented and studied as functions of e-beam energy and gas pressure. Results are useful for analyzing small signal gain (SSG) measurements and optimizing deposition in future experiments. 7 refs., 7 figs., 1 tab

Simulation of the fluctuations of energy and charge deposited during e-beam exposure

International Nuclear Information System (INIS)

Borisov, S. S.; Zaitsev, S. I.; Grachev, E. A.

2007-01-01

The stochastic nature of an energy and charge deposition process is examined using a model based on discrete loss approximation (DLA). Deposited energy deviations computed using the continuous slowing down approximation (CSDA) and DLA are compared. It is shown that CSDA underestimates fluctuations in deposited energy

Glutathione--hydroxyl radical interaction: a theoretical study on radical recognition process.

Directory of Open Access Journals (Sweden)

Béla Fiser

Full Text Available Non-reactive, comparative (2 × 1.2 μs molecular dynamics simulations were carried out to characterize the interactions between glutathione (GSH, host molecule and hydroxyl radical (OH(•, guest molecule. From this analysis, two distinct steps were identified in the recognition process of hydroxyl radical by glutathione: catching and steering, based on the interactions between the host-guest molecules. Over 78% of all interactions are related to the catching mechanism via complex formation between anionic carboxyl groups and the OH radical, hence both terminal residues of GSH serve as recognition sites. The glycine residue has an additional role in the recognition of OH radical, namely the steering. The flexibility of the Gly residue enables the formation of further interactions of other parts of glutathione (e.g. thiol, α- and β-carbons with the lone electron pair of the hydroxyl radical. Moreover, quantum chemical calculations were carried out on selected GSH/OH(• complexes and on appropriate GSH conformers to describe the energy profile of the recognition process. The relative enthalpy and the free energy changes of the radical recognition of the strongest complexes varied from -42.4 to -27.8 kJ/mol and from -21.3 to 9.8 kJ/mol, respectively. These complexes, containing two or more intermolecular interactions, would be the starting configurations for the hydrogen atom migration to quench the hydroxyl radical via different reaction channels.

Investigation on the correlation between energy deposition and clustered DNA damage induced by low-energy electrons.

Science.gov (United States)

Liu, Wei; Tan, Zhenyu; Zhang, Liming; Champion, Christophe

2018-05-01

This study presents the correlation between energy deposition and clustered DNA damage, based on a Monte Carlo simulation of the spectrum of direct DNA damage induced by low-energy electrons including the dissociative electron attachment. Clustered DNA damage is classified as simple and complex in terms of the combination of single-strand breaks (SSBs) or double-strand breaks (DSBs) and adjacent base damage (BD). The results show that the energy depositions associated with about 90% of total clustered DNA damage are below 150 eV. The simple clustered DNA damage, which is constituted of the combination of SSBs and adjacent BD, is dominant, accounting for 90% of all clustered DNA damage, and the spectra of the energy depositions correlating with them are similar for different primary energies. One type of simple clustered DNA damage is the combination of a SSB and 1-5 BD, which is denoted as SSB + BD. The average contribution of SSB + BD to total simple clustered DNA damage reaches up to about 84% for the considered primary energies. In all forms of SSB + BD, the SSB + BD including only one base damage is dominant (above 80%). In addition, for the considered primary energies, there is no obvious difference between the average energy depositions for a fixed complexity of SSB + BD determined by the number of base damage, but average energy depositions increase with the complexity of SSB + BD. In the complex clustered DNA damage constituted by the combination of DSBs and BD around them, a relatively simple type is a DSB combining adjacent BD, marked as DSB + BD, and it is of substantial contribution (on average up to about 82%). The spectrum of DSB + BD is given mainly by the DSB in combination with different numbers of base damage, from 1 to 5. For the considered primary energies, the DSB combined with only one base damage contributes about 83% of total DSB + BD, and the average energy deposition is about 106 eV. However, the

Study of energy deposition in heavy-ion reactions

International Nuclear Information System (INIS)

Mota, V. De La; Abgrall, P.; Sebille, F.; Haddad, F.

1993-01-01

An investigation of energy deposition mechanisms in heavy-ion reactions at intermediate energies is presented. Theoretical simulations are performed in the framework of the semi-classical Landau-Vlasov model. They emphasize the influence of the initial non-equilibrium conditions, and the connection with the incident energy is discussed. Characteristic times involved in the energy thermalization process and finite size effects are analyzed. (authors) 20 refs., 4 figs

PRISM -- A tool for modelling proton energy deposition in semiconductor materials

International Nuclear Information System (INIS)

Oldfield, M.K.; Underwood, C.I.

1996-01-01

This paper presents a description of, and test results from, a new PC based software simulation tool PRISM (Protons in Semiconductor Materials). The model describes proton energy deposition in complex 3D sensitive volumes of semiconductor materials. PRISM is suitable for simulating energy deposition in surface-barrier detectors and semiconductor memory devices, the latter being susceptible to Single-Event Upset (SEU) and Multiple-Bit Upset (MBU). The design methodology on which PRISM is based, together with the techniques used to simulate ion transport and energy deposition, are described. Preliminary test results used to analyze the PRISM model are presented

Deposition of SiC thin films by PECVD

CERN Document Server

Cho, N I; Kim, C K

1999-01-01

The SiC films were deposited on Si substrate by the decomposition of CH sub 3 SiCl sub 3 (methylthrichlorosilane) molecules in a high frequency discharge field. From the Raman spectra, it is conjectured that the deposited film are formed into the polycrystalline structure. The photon absorption measurement reveal that the band gap of the electron energy state are to be 2.4 eV for SiC, and 2.6 eV for Si sub 0 sub . sub 4 C sub 0 sub . sub 6 , respectively. In the high power density regime, methyl-radicals decompose easily and increases the carbon concentration in plasma and result in the growing films.

Abnormal energy deposition on the wall through plasma disruptions

International Nuclear Information System (INIS)

Yamazaki, K.; Schmidt, G.L.

1984-07-01

The dissipation of plasma kinetic and magnetic energy during sawtooth oscillstions and disruptions in tokamaks is analyzed using Kadomtsev's disruption model and the plasma-circuit equations. New simple scalings of several characteristic times are obtained for sawteeth and for thermal and magnetic energy quenches of disruptions. The abnormal energy deposition on the wall during major or minor disruptions, estimated from this analysis, is compared with bolometric measurements in the PDX tokamak. Especially, magnetic energy dissipation during current termination period is shown to be reduced by the strong coupling of the plasma current with external circuits. These analyses are found to be useful to predict the phenomenological behavior of plasma disruptions in large future tokamaks, and to estimate abnormal heat deposition on the wall during plasma disruptions. (author)

Some aspects of radiation-induced free-radical chemistry of biologically important molecules

International Nuclear Information System (INIS)

Sonntag, C. von

1992-01-01

Biologically relevant material is usually associated with considerable amounts of water. When ionizing radiation interacts with such material one must consider two modes of energy deposition: the direct effect (ionizing radiation is absorbed by the biomolecules) and the indirect effect (ionizing radiation is absorbed by the surrounding water). In the direct effect, radical cations plus electrons, and excited states of the biomolecules are formed. In the indirect effect the water is decomposed resulting in the formation of the water radicals OH,H and e aq - . These reactive intermediates then interact with the biomolecules. When such systems are irradiated oxygen is often present. As a result of this, the radicals formed in the biomolecules by the various routes are converted into the corresponding peroxyl radicals. In certain cases, e.g. with the nucleobases of DNA, radical cations can be produced in dilute aqueous solutions by radiation-generated SO 4 - radicals, and the fate of these nucleobase radical cations studied by pulse radiolysis and product analysis. Attention will be drawn to the fact that frequently some of the reaction products of the radical cations with water are identical to those formed by OH radical attack, but that there are also marked differences. Similarly, protonation of radical anions (formed by the reaction of solvated electrons with the biomolecules) and the reaction of H-atoms with these molecules can lead to radical intermediates with considerably differing characteristics. Our present knowledge of the variety of reactions of the peroxyl radicals occurring in aqueous solutions will be briefly discussed, emphasizing the large variety of HO 2 /O 2 - elimination reactions and pointing to the reversibility of the oxygen addition (RO 2 →R + O 2 ) in some systems recently studied. (author)

Radical covalent organic frameworks: a general strategy to immobilize open-accessible polyradicals for high-performance capacitive energy storage.

Science.gov (United States)

Xu, Fei; Xu, Hong; Chen, Xiong; Wu, Dingcai; Wu, Yang; Liu, Hao; Gu, Cheng; Fu, Ruowen; Jiang, Donglin

2015-06-01

Ordered π-columns and open nanochannels found in covalent organic frameworks (COFs) could render them able to store electric energy. However, the synthetic difficulty in achieving redox-active skeletons has thus far restricted their potential for energy storage. A general strategy is presented for converting a conventional COF into an outstanding platform for energy storage through post-synthetic functionalization with organic radicals. The radical frameworks with openly accessible polyradicals immobilized on the pore walls undergo rapid and reversible redox reactions, leading to capacitive energy storage with high capacitance, high-rate kinetics, and robust cycle stability. The results suggest that channel-wall functional engineering with redox-active species will be a facile and versatile strategy to explore COFs for energy storage. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optimization design of energy deposition on single expansion ramp nozzle

Science.gov (United States)

Ju, Shengjun; Yan, Chao; Wang, Xiaoyong; Qin, Yupei; Ye, Zhifei

2017-11-01

Optimization design has been widely used in the aerodynamic design process of scramjets. The single expansion ramp nozzle is an important component for scramjets to produces most of thrust force. A new concept of increasing the aerodynamics of the scramjet nozzle with energy deposition is presented. The essence of the method is to create a heated region in the inner flow field of the scramjet nozzle. In the current study, the two-dimensional coupled implicit compressible Reynolds Averaged Navier-Stokes and Menter's shear stress transport turbulence model have been applied to numerically simulate the flow fields of the single expansion ramp nozzle with and without energy deposition. The numerical results show that the proposal of energy deposition can be an effective method to increase force characteristics of the scramjet nozzle, the thrust coefficient CT increase by 6.94% and lift coefficient CN decrease by 26.89%. Further, the non-dominated sorting genetic algorithm coupled with the Radial Basis Function neural network surrogate model has been employed to determine optimum location and density of the energy deposition. The thrust coefficient CT and lift coefficient CN are selected as objective functions, and the sampling points are obtained numerically by using a Latin hypercube design method. The optimized thrust coefficient CT further increase by 1.94%, meanwhile, the optimized lift coefficient CN further decrease by 15.02% respectively. At the same time, the optimized performances are in good and reasonable agreement with the numerical predictions. The findings suggest that scramjet nozzle design and performance can benefit from the application of energy deposition.

Fossil fuel energy resources of Ethiopia: Coal deposits

Energy Technology Data Exchange (ETDEWEB)

Wolela, Ahmed [Department of Petroleum Operations, Ministry of Mines and Energy, Kotebe Branch Office, P. O. Box-486, Addis Ababa (Ethiopia)

2007-11-22

The gravity of Ethiopian energy problem has initiated studies to explore various energy resources in Ethiopia, one among this is the exploration for coal resources. Studies confirmed the presence of coal deposits in the country. The coal-bearing sediments are distributed in the Inter-Trappean and Pre-Trap volcanic geological settings, and deposited in fluvio-lacustrine and paludal environments in grabens and half-grabens formed by a NNE-SSW and NNW-SSE fault systems. Most significant coal deposits are found in the Inter-Trappean geological setting. The coal and coal-bearing sediments reach a maximum thickness of 4 m and 300 m, respectively. The best coal deposits were hosted in sandstone-coal-shale and mudstone-coal-shale facies. The coal formations of Ethiopia are quite unique in that they are neither comparable to the coal measures of the Permo-Carboniferous Karroo Formation nor to the Late Devonian-Carboniferous of North America or Northwestern Europe. Proximate analysis and calorific value data indicated that the Ethiopian coals fall under lignite to high volatile bituminous coal, and genetically are classified under humic, sapropelic and mixed coal. Vitrinite reflectance studies confirmed 0.3-0.64% Ro values for the studied coals. Palynology studies confirmed that the Ethiopian coal-bearing sediments range in age from Eocene to Miocene. A total of about 297 Mt of coal reserve registered in the country. The coal reserve of the country can be considered as an important alternative source of energy. (author)

Manipulation of radicals and ions in LFICP-aided fabrication of high efficiency solar cells

International Nuclear Information System (INIS)

Xu, S.

2013-01-01

In this talk, we report on the development and diagnostics of low frequency inductively coupled plasma (LFICP) reactor for fabrication of high efficiency silicon solar cells. Chemically active, thermally non-equilibrium plasma possess unique advantages for manipulation of plasma-generated radicals/ions and overall control of growth and self-organization processes that are crucial for fabrication of photovoltaic materials and solar cells. In low frequency inductively coupled plasmas, generation, selection and control of densities and fluxes of the radicals and ions can easily be controlled by the electron energy distributions and other plasma parameters. The electric field and thermal forces guide selective delivery of the radicals to the surface. Specific substrate activation and temperature determine the ion/heat fluxes from the gas phase to the charged surfaces. Detailed discussion includes the inter-connection between in-situ plasma diagnostics (Optical Emission Spectroscopy, Langmuir Probe diagnostics, and Quadruple Mass Spectrometry) and ex-situ material characterization (XRD, Raman, FTIR EDX, UV/Vis, SEM, Hall-effect and others). Special emphasis is paid to the identification and control strategies of the plasma-generated radicals/ions existed in both the ionized gas phase and on the deposition surfaces. We will show how radicals and ions can be manipulated to meet the structural, optical and electronic requirements for high efficiency photovoltaic cells. Solar cell fabricated by the LFICP plasma exhibits an extraordinarily photovoltaic performance with energy conversion efficiency exceeding 18%. (author)

Linear free energy relationships between aqueous phase hydroxyl radical reaction rate constants and free energy of activation.

Science.gov (United States)

Minakata, Daisuke; Crittenden, John

2011-04-15

The hydroxyl radical (HO(•)) is a strong oxidant that reacts with electron-rich sites on organic compounds and initiates complex radical chain reactions in aqueous phase advanced oxidation processes (AOPs). Computer based kinetic modeling requires a reaction pathway generator and predictions of associated reaction rate constants. Previously, we reported a reaction pathway generator that can enumerate the most important elementary reactions for aliphatic compounds. For the reaction rate constant predictor, we develop linear free energy relationships (LFERs) between aqueous phase literature-reported HO(•) reaction rate constants and theoretically calculated free energies of activation for H-atom abstraction from a C-H bond and HO(•) addition to alkenes. The theoretical method uses ab initio quantum mechanical calculations, Gaussian 1-3, for gas phase reactions and a solvation method, COSMO-RS theory, to estimate the impact of water. Theoretically calculated free energies of activation are found to be within approximately ±3 kcal/mol of experimental values. Considering errors that arise from quantum mechanical calculations and experiments, this should be within the acceptable errors. The established LFERs are used to predict the HO(•) reaction rate constants within a factor of 5 from the experimental values. This approach may be applied to other reaction mechanisms to establish a library of rate constant predictions for kinetic modeling of AOPs.

The energy deposition of slowing down particles in heterogeneous media

International Nuclear Information System (INIS)

Prinja, A.K.; Williams, M.M.R.

1980-01-01

Energy deposition by atomic particles in adjacent semi-infinite, amorphous media is described using the forward form of the Boltzmann transport equation. A transport approximation to the scattering kernel, developed elsewhere, incorporating realistic energy transfer is employed to assess the validity of the commonly used isotropic-scattering and straight-ahead approximations. Results are presented for integral energy deposition rates due to a plane, isotropic and monoenergetic source in one half-space for a range of mass ratios between 0.1 and 5.0. Integral profiles for infinite and semi-infinite media are considered and the influence of reflection for different mass ratios is evaluated. The dissimilar scattering properties of the two media induce a discontinuity at the interface in the energy deposition rate the magnitude of which is sensitive to the source position relative to the interface. A comprehensive evaluation of the total energy deposited in the source free medium is presented for a range of mass ratios and source positions. An interesting minimum occurs for off-interface source locations as a function of the source-medium mass ratio, the position of which varies with the source position but is insensitive to the other mass ratio. As a special case, energy reflection and escape coefficients for semi-infinite media are obtained which demonstrates that the effect of a vacuum interface is insignificant for deep source locations except for large mass ratios when reflection becomes dominant. (author)

Abnormal energy deposition on the wall through plasma disruptions

International Nuclear Information System (INIS)

Yamazaki, K.; Schmidt, G.L.

1984-01-01

The dissipation of plasma kinetic and magnetic energy during sawtooth oscillations and disruptions in tokamak is analyzed using Kadomtsev's disruption model and the plasma-circuit equations. New simple scalings of several characteristic times are obtained for sawteeth and for thermal and magnetic energy quenches of disruptions. The abnormal energy deposition on the wall during major or minor disruptions, estimated from this analysis, is compared with bolometric measurements in the PDX tokamak. Especially, magnetic energy dissipation during the current termination period is shown to be reduced by the strong coupling of the plasma current with external circuits. These analyses are found to be useful to predict the phenomenological behavior of plasma disruptions in large future tokamaks, and to estimate abnormal heat deposition on the wall during plasma disruptions. (orig.)

Formation and reactions of free radicals in the radiolysis of organic materials by ion beams

International Nuclear Information System (INIS)

Koizumi, H.

2000-01-01

High-energy heavy ions deposit energy along ion tracks with high density. Chemical effects of the heavy ions may hence differ from that of γ-rays and fast electrons. We can utilize these effects for material modification and fabrication of microstructure. It is necessary to know the dependence of the effects on ion beams and the variation of the effects on materials for developing new application of ion beams. We then studied radical formation in organic solids of alanine and of adipic acid by ion beams irradiation. (author)

Predicting tropospheric ozone and hydroxyl radical in a global, three-dimensional, chemistry, transport, and deposition model

Energy Technology Data Exchange (ETDEWEB)

Atherton, C.S.

1995-01-05

Two of the most important chemically reactive tropospheric gases are ozone (O{sub 3}) and the hydroxyl radical (OH). Although ozone in the stratosphere is a necessary protector against the sun`s radiation, tropospheric ozone is actually a pollutant which damages materials and vegetation, acts as a respiratory irritant, and is a greenhouse gas. One of the two main sources of ozone in the troposphere is photochemical production. The photochemistry is initiated when hydrocarbons and carbon monoxide (CO) react with nitrogen oxides (NO{sub x} = NO + NO{sub 2}) in the presence of sunlight. Reaction with the hydroxyl radical, OH, is the main sink for many tropospheric gases. The hydroxyl radical is highly reactive and has a lifetime on the order of seconds. Its formation is initiated by the photolysis of tropospheric ozone. Tropospheric chemistry involves a complex, non-linear set of chemical reactions between atmospheric species that vary substantially in time and space. To model these and other species on a global scale requires the use of a global, three-dimensional chemistry, transport, and deposition (CTD) model. In this work, I developed two such three dimensional CTD models. The first model incorporated the chemistry necessary to model tropospheric ozone production from the reactions of nitrogen oxides with carbon monoxide (CO) and methane (CH{sub 4}). The second also included longer-lived alkane species and the biogenic hydrocarbon isoprene, which is emitted by growing plants and trees. The models` ability to predict a number of key variables (including the concentration of O{sub 3}, OH, and other species) were evaluated. Then, several scenarios were simulated to understand the change in the chemistry of the troposphere since preindustrial times and the role of anthropogenic NO{sub x} on present day conditions.

Measurement of energy deposition near high energy, heavy ion tracks. Progress report, December 1982-April 1985

Energy Technology Data Exchange (ETDEWEB)

Metting, N.F.; Braby, L.A.; Rossi, H.H.; Kliauga, P.J.; Howard, J.; Schimmerling, W.; Wong, M.; Rapkin, M.

1986-08-01

The microscopic spatial distribution of energy deposition in irradiated tissue plays a significant role in the final biological effect produced. Therefore, it is important to have accurate microdosimetric spectra of radiation fields used for radiobiology and radiotherapy. The experiments desribed here were designed to measure the distributions of energy deposition around high energy heavy ion tracks generated at Lawrence Berkeley Laboratory's Bevalac Biomedical Facility. A small proportional counter mounted in a large (0.6 by 2.5 m) vacuum chamber was used to measure energy deposition distributions as a function of the distance between detector and primary ion track. The microdosimetric distributions for a homogeneous radiation field were then calculated by integrating over radial distance. This thesis discusses the rationale of the experimental design and the analysis of measurements on 600 MeV/amu iron tracks. 53 refs., 19 figs.

Measurement of energy deposition near high energy, heavy ion tracks. Progress report, December 1982-April 1985

International Nuclear Information System (INIS)

Metting, N.F.; Braby, L.A.; Rossi, H.H.; Kliauga, P.J.; Howard, J.; Schimmerling, W.; Wong, M.; Rapkin, M.

1986-08-01

The microscopic spatial distribution of energy deposition in irradiated tissue plays a significant role in the final biological effect produced. Therefore, it is important to have accurate microdosimetric spectra of radiation fields used for radiobiology and radiotherapy. The experiments desribed here were designed to measure the distributions of energy deposition around high energy heavy ion tracks generated at Lawrence Berkeley Laboratory's Bevalac Biomedical Facility. A small proportional counter mounted in a large (0.6 by 2.5 m) vacuum chamber was used to measure energy deposition distributions as a function of the distance between detector and primary ion track. The microdosimetric distributions for a homogeneous radiation field were then calculated by integrating over radial distance. This thesis discusses the rationale of the experimental design and the analysis of measurements on 600 MeV/amu iron tracks. 53 refs., 19 figs

Non-local energy deposition: A problem in regional RF hyperthermia

International Nuclear Information System (INIS)

Hagmann, M.J.; Levin, R.L.

1984-01-01

As the frequency is decreased below 1 GHz, RF applicators can cause deep heating of tissues. However, there is a concomitant problem in that significant energy deposition may occur well beyond the dimensions of the applicator. The BSD Medical Corporation has described to the authors tests with a phantom manequin in which SAR in the neck was significantly greater than that in the abdomen when an Annular Phased Array System (APAS) was positioned for abdominal heating. The authors have obtained numerical solutions for the SAR distribution in a 180-cell inhomogeneous block model of man subjected to r-f irradiation approximating that emanating from various applicators. The solutions agree with the reports of BSD that significant heating in the neck, inner thighs, and back will occur with an abdominally-placed APAS. They suggest that a similar problem will occur with a helical-coil or other applicator for which the electric field is predominantly parallel to the axis of the body. Typically, 70% or more of the total energy will be deposited outside the bounds of an axial applicator when it is placed around the chest or abdomen. The problem is most severe at frequencies for which body parts such as the arm or head may resonate. In such cases, over 90% of the energy may be deposited outside the bounds of applicator. The problem of non-local energy deposition appears to be substantially reduced for non-axial applicators. If the arm extends outward from the side of the body, an axial applicator around it will cause negligible energy deposition in the rest of the body

Improving the Characteristics of Sn-doped In{sub 2}O{sub 2} Grown at Room Temperature with Oxygen Radical-Assisted Electron Beam Deposition

Energy Technology Data Exchange (ETDEWEB)

Oh, Min-Suk [Korea Institute of Industrial Technology, Gwangju (Korea, Republic of); Seo, Inseok [Chonbuk National University, Jeonju (Korea, Republic of)

2017-07-15

Sn-doped In{sub 2}O{sub 3} (Indium tin oxide, ITO) is widely utilized in numerous industrial applications due to its high electrical conductivity and high optical transmittance in the visible region. High quality ITO thin-films have been grown at room temperature by oxygen radical assisted e-beam evaporation without any post annealing or plasma treatment. The introduction of oxygen radicals during e-beam growth greatly improved the surface morphology and structural properties of the ITO films. The obtained ITO film exhibits higher carrier mobility of 43.2 cm{sup 2}/V·s and larger optical transmittance of 84.6%, resulting in a higher figure of merit of ∼ 2.8 × 10{sup −2} Ω{sup −1}, which are quite comparable to the ITO film deposited by conventional e-beam evaporation. These results show that ITO films grown by oxygen radical assisted e-beam evaporation at room temperature with high optical transmittance and high electron conductivity have a great potential for organic optoelectronic devices.

Modelling of the energy density deposition profiles of ultrashort laser pulses focused in optical media

International Nuclear Information System (INIS)

Vidal, F; Lavertu, P-L; Bigaouette, N; Moore, F; Brunette, I; Giguere, D; Kieffer, J-C; Olivie, G; Ozaki, T

2007-01-01

The propagation of ultrashort laser pulses in dense optical media is investigated theoretically by solving numerically the nonlinear Schroedinger equation. It is shown that the maximum energy density deposition as a function of the pulse energy presents a well-defined threshold that increases with the pulse duration. As a consequence of plasma defocusing, the maximum energy density deposition is generally smaller and the size of the energy deposition zone is generally larger for shorter pulses. Nevertheless, significant values of the energy density deposition can be obtained near threshold, i.e., at lower energy than for longer pulses

Innovative techniques for the production of energetic radicals for lunar materials processing including photogeneration via concentrated solar energy

Science.gov (United States)

Osborn, D. E.; Lynch, D. C.; Fozzolari, R.

1991-01-01

A technique for photo generation of radicals is discussed that can be used in the recovery of oxygen and metals from extraterrestrial resources. The concept behind this work was to examine methods whereby radicals can be generated and used in the processing of refractory materials. In that regard, the focus is on the use of sunlight. Sunlight provides useful energy for processing in the forms of both thermal and quantum energy. A number of experiments were conducted in the chlorination of metals with and without the aid of UV and near UV light. The results of some of those experiments are discussed.

Energy deposition, heat flow, and rapid solidification during laser and electron beam irradiation of materials

Energy Technology Data Exchange (ETDEWEB)

White, C.W.; Aziz, M.J.

1985-10-01

The fundamentals of energy deposition, heat flow, and rapid solidification during energy deposition from lasers and electron beams is reviewed. Emphasis is placed on the deposition of energy from pulsed sources (10 to 100 ns pulse duration time) in order to achieve high heating and cooling rates (10/sup 8/ to 10/sup 10/ /sup 0/C/s) in the near surface region. The response of both metals and semiconductors to pulsed energy deposition is considered. Guidelines are presented for the choice of energy source, wavelength, and pulse duration time.

Energy storage and deposition in a solar flare

Science.gov (United States)

Vorpahl, J. A.

1976-01-01

X-ray pictures of a solar flare taken with the S-056 X-ray telescope aboard Skylab are interpreted in terms of flare energy deposition and storage. The close similarity between calculated magnetic-field lines and the overall structure of the X-ray core is shown to suggest that the flare occurred in an entire arcade of loops. It is found that different X-ray features brightened sequentially as the flare evolved, indicating that some triggering disturbance moved from one side to the other in the flare core. A propagation velocity of 180 to 280 km/s is computed, and it is proposed that the geometry of the loop arcade strongly influenced the propagation of the triggering disturbance as well as the storage and site of the subsequent energy deposition. Some possible physical causes for the sequential X-ray brightening are examined, and a magnetosonic wave is suggested as the triggering disturbance. 'Correct' conditions for energy release are considered

Summary and presentation of the international workshop on beam induced energy deposition (issues, concerns, solutions)

International Nuclear Information System (INIS)

Soundranayagam, R.

1991-11-01

This report discusses: energy deposition and radiation shielding in antriproton source at FNAL; radiation issues/problems at RHIC; radiation damage to polymers; radiation effects on optical fibre in the SSC tunnel; capabilities of the Brookhaven Radiation Effects Facility; the SSC interaction region; the FLUKA code system, modifications, recent extension and experimental verification; energy particle transport calculations and comparisons with experimental data; Los Alamos High Energy Transport code system; MCNP features and applications; intercomparison of Monte Carlo codes designed for simulation of high energy hadronic cascades; event generator, DTUJET-90 and DTUNUC; Preliminary hydrodynamic calculations of beam energy deposition; MESA code calculations of material response to explosive energy deposition; Smooth particle hydrodynamic; hydrodynamic effects and mass depletion phenomena in targets; beam dump: Beam sweeping and spoilers; Design considerations to mitigate effects of accidental beam dump; SSC beam abort and absorbed; beam abort system of SSC options; unconventional scheme for beam spoilers; low β quadrupoles: Energy deposition and radioactivation; beam induces energy deposition in the SSC components; extension of SSC-SR-1033 approach to radioactivation in LHC and SSC detectors; energy deposition in the SSC low-β IR-quads; beam losses and collimation in the LHC; and radiation shielding around scrapers

Energy deposition profile on ISOLDE Beam Dumps by FLUKA simulations

CERN Document Server

Vlachoudis, V

2014-01-01

In this report an estimation of the energy deposited on the current ISOLDE beam dumps obtained by means of FLUKA simulation code is presented. This is done for both ones GPS and HRS. Some estimations of temperature raise are given based on the assumption of adiabatic increase from energy deposited by the impinging protons. However, the results obtained here in relation to temperature are only a rough estimate. They are meant to be further studied through thermomechanical simulations using the energyprofiles hereby obtained.

Energy deposition model for I-125 photon radiation in water

International Nuclear Information System (INIS)

Fuss, M.C.; Garcia, G.; Munoz, A.; Oller, J.C.; Blanco, F.; Limao-Vieira, P.; Williart, A.; Garcia, G.; Huerga, C.; Tellez, M.

2010-01-01

In this study, an electron-tracking Monte Carlo algorithm developed by us is combined with established photon transport models in order to simulate all primary and secondary particle interactions in water for incident photon radiation. As input parameters for secondary electron interactions, electron scattering cross sections by water molecules and experimental energy loss spectra are used. With this simulation, the resulting energy deposition can be modelled at the molecular level, yielding detailed information about localization and type of single collision events. The experimental emission spectrum of I-125 seeds, as used for radiotherapy of different tumours, was used for studying the energy deposition in water when irradiating with this radionuclide. (authors)

Energy deposition model for I-125 photon radiation in water

Energy Technology Data Exchange (ETDEWEB)

Fuss, M.C.; Garcia, G. [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas (CSIC), Madrid (Spain); Munoz, A.; Oller, J.C. [Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas (CIEMAT), Madrid (Spain); Blanco, F. [Departamento de Fisica Atomica, Molecular y Nuclear, Universidad Complutense de Madrid (Spain); Limao-Vieira, P. [Laboratorio de Colisoes Atomicas e Moleculares, Departamento de Fisica, CEFITEC, FCT-Universidade Nova de Lisboa, Caparica (Portugal); Williart, A.; Garcia, G. [Departamento de Fisica de los Materiales, Universidad Nacional de Educacion a Distancia, Madrid (Spain); Huerga, C.; Tellez, M. [Hospital Universitario La Paz, Madrid (Spain)

2010-10-15

In this study, an electron-tracking Monte Carlo algorithm developed by us is combined with established photon transport models in order to simulate all primary and secondary particle interactions in water for incident photon radiation. As input parameters for secondary electron interactions, electron scattering cross sections by water molecules and experimental energy loss spectra are used. With this simulation, the resulting energy deposition can be modelled at the molecular level, yielding detailed information about localization and type of single collision events. The experimental emission spectrum of I-125 seeds, as used for radiotherapy of different tumours, was used for studying the energy deposition in water when irradiating with this radionuclide. (authors)

The energy-deposition model. Electron loss of heavy ions in collisions with neutral atoms at low and intermediate energies

International Nuclear Information System (INIS)

Shevelko, V.P.; Litsarev, M.S.; Kato, D.; Tawara, H.

2010-09-01

Single- and multiple-electron loss processes in collisions of heavy many-electron ions (positive and negative) in collisions with neutral atoms at low and intermediate energies are considered using the energy-deposition model. The DEPOSIT computer code, created earlier to calculate electron-loss cross sections at high projectile energies, is extended for low and intermediate energies. A description of a new version of DEPOSIT code is given, and the limits of validity for collision velocity in the model are discussed. Calculated electron-loss cross sections for heavy ions and atoms (N + , Ar + , Xe + , U + , U 28+ , W, W + , Ge - , Au - ), colliding with neutral atoms (He, Ne, Ar, W) are compared with available experimental and theoretical data at energies E > 10 keV/u. It is found that in most cases the agreement between experimental data and the present model is within a factor of 2. Combining results obtained by the DEPOSIT code at low and intermediate energies with those by the LOSS-R code at high energies (relativistic Born approximation), recommended electron-loss cross sections in a wide range of collision energy are presented. (author)

Experiment study on the thick GEM-like multiplier for X-ray photoelectrons energy deposition gaining

International Nuclear Information System (INIS)

Zhu Pengfei; Ye Yan; Long Yan; Cao Ningxiang; Jia Xing; Li Jianfeng

2009-01-01

The GEM is a novel detector with high gain,high time and location resolution. Imitating the structure of the GEM, a thick GEM-like multiplier which has the similar function with that of the GEM is designed and manufactured. The characteristics of the thick GEM-like multiplier increasing electron energy deposition in absorbing medium has been experimentally studied. The results indicate that the energy deposition gain of x-ray photoelectron in medium is apparent, and the maximum energy deposition can increase by more than 40%. Some suggestions of further increasing the energy deposition are given, and the future application of the way of increasing the x-ray photoelectron energy deposition by the thick GEM-like multiplier in hard x-ray imaging is prospected. (authors)

Computational study of the rate constants and free energies of intramolecular radical addition to substituted anilines

Directory of Open Access Journals (Sweden)

Andreas Gansäuer

2013-08-01

Full Text Available The intramolecular radical addition to aniline derivatives was investigated by DFT calculations. The computational methods were benchmarked by comparing the calculated values of the rate constant for the 5-exo cyclization of the hexenyl radical with the experimental values. The dispersion-corrected PW6B95-D3 functional provided very good results with deviations for the free activation barrier compared to the experimental values of only about 0.5 kcal mol−1 and was therefore employed in further calculations. Corrections for intramolecular London dispersion and solvation effects in the quantum chemical treatment are essential to obtain consistent and accurate theoretical data. For the investigated radical addition reaction it turned out that the polarity of the molecules is important and that a combination of electrophilic radicals with preferably nucleophilic arenes results in the highest rate constants. This is opposite to the Minisci reaction where the radical acts as nucleophile and the arene as electrophile. The substitution at the N-atom of the aniline is crucial. Methyl substitution leads to slower addition than phenyl substitution. Carbamates as substituents are suitable only when the radical center is not too electrophilic. No correlations between free reaction barriers and energies (ΔG‡ and ΔGR are found. Addition reactions leading to indanes or dihydrobenzofurans are too slow to be useful synthetically.

Geopressured aquifers - utilization of the energy potential of the Endorf thermal water deposit

Energy Technology Data Exchange (ETDEWEB)

Mueller, S; Hantelmann, G v

1984-01-01

The Endorf thermal water deposit (Rupel, 4229 to 4264 m) belongs to the type of ''geopressured aquifers''. The overall aim of the project is to exploit the energy stored in the deposit in the form of thermal brine (temperature: 115/sup 0/C) and natural gas (96% methane). In this first report on the project state, an overview on prehistory is followed by a description of the currently implemented test programme and its subsequent evaluation which aim at obtaining more exact knowledge concerning the present deposit conditions and, while doing so, indications of the energy content of the deposit in order to determine the energy potential theoretically exploitable at the well head.

Calorimetric sensors for energy deposition measurements

International Nuclear Information System (INIS)

Langenbrunner, J.; Cooper, R.; Morgan, G.

1998-01-01

A calorimetric sensor with several novel design features has been developed. These sensors will provide an accurate sampling of thermal power density and energy deposition from proton beams incident on target components of accelerator-based systems, such as the Accelerator Production of Tritium Project (APT) and the Spallation Neutron Source (SNS). A small, solid slug (volume = 0.347 cc) of target material is suspended by kevlar fibers and surrounded by an adiabatic enclosure in an insulating vacuum canister of stainless steel construction. The slug is in thermal contact with a low-mass, calibrated, 100-kΩ thermistor. Power deposition caused by the passage of radiation through the slug is calculated from the rate of temperature rise of the slug. The authors have chosen slugs composed of Pb, Al, and LiAl

Hypersonic wave drag reduction performance of cylinders with repetitive laser energy depositions

International Nuclear Information System (INIS)

Fang, J; Hong, Y J; Li, Q; Huang, H

2011-01-01

It has been widely research that wave drag reduction on hypersonic vehicle by laser energy depositions. Using laser energy to reduce wave drag can improve vehicle performance. A second order accurate scheme based on finite-difference method and domain decomposition of structural grid is used to compute the drag performance of cylinders in a hypersonic flow of Mach number 2 at altitude of 15km with repetitive energy depositions. The effects of frequency on drag reduction are studied. The calculated results show: the recirculation zone is generated due to the interaction between bow shock over the cylinder and blast wave produced by energy deposition, and a virtual spike which is supported by an axis-symmetric recirculation, is formed in front of the cylinder. By increasing the repetitive frequency, the drag is reduced and the oscillation of the drag is decreased; however, the energy efficiency decreases by increasing the frequency.

Energy deposition in a thin copper target downstream and off-axis of a proton-radiography target

International Nuclear Information System (INIS)

Greene, G.A.; Finfrock, C.C.; Snead, C.L.; Hanson, A.L.; Murray, M.M.

2002-01-01

A series of proton energy-deposition experiments was conducted to measure the energy deposited in a copper target located downstream and off-axis of a high-energy proton-radiography target. The proton/target interactions involved low-intensity bunches of protons at 24 GeV/c onto a spherical target consisting of concentric shells of tungsten and copper. The energy-deposition target was placed at five locations downstream of the proton-radiography target, off-axis of the primary beam transport, and was either unshielded or shielded by 5 or 10 cm of lead. Maximum temperature rises measured in the energy-deposition target due to single bunches of 5x10 10 protons on the proton-radiography target were approximately 20 mK per bunch. The data indicated that the scattered radiation was concentrated close to the primary transport axis of the beam line. The energy deposited in the energy-deposition target was reduced by moving the target radially away from the primary transport axis. Placing lead shielding in front of the target further reduced the energy deposition. The measured temperature rises of the energy-deposition target were empirically correlated with the distance from the source, the number of protons incident on the proton-radiography target, the thickness of the lead shielding, and the angle of the energy-deposition target off-axis of the beam line from the proton-radiography target. The correlation of the experimental data that was developed provides a starting point for the evaluation of the shielding requirements for devices downstream of proton-radiography targets such as superconducting magnets

Plasmonic resonance-enhanced local photothermal energy deposition by aluminum nanoparticles

International Nuclear Information System (INIS)

Chong Xinyuan; Jiang Naibo; Zhang Zhili; Roy, Sukesh; Gord, James R.

2013-01-01

Local energy deposition of aluminum nanoparticles (Al NPs) by localized surface plasmon resonance-enhanced photothermal effects is demonstrated. Low-power light stimuli are efficiently and locally concentrated to trigger the oxidation reactions of Al NPs because of the large ohmic absorption and high reactivity of the Al. Numerical simulations show that both ultraviolet and visible light are more efficient than infrared light for photothermal energy coupling. The natural oxidation layer of alumina is found to have minimum impact on the energy deposition because of its negligible dielectric losses. The near-field distributions of the electric field indicate that slight aggregation induces much higher local enhancement, especially at the interface region of multiple contacting nanoparticles.

Internal energy deposition with silicon nanoparticle-assisted laser desorption/ionization (SPALDI) mass spectrometry

Science.gov (United States)

Dagan, Shai; Hua, Yimin; Boday, Dylan J.; Somogyi, Arpad; Wysocki, Ronald J.; Wysocki, Vicki H.

2009-06-01

The use of silicon nanoparticles for laser desorption/ionization (LDI) is a new appealing matrix-less approach for the selective and sensitive mass spectrometry of small molecules in MALDI instruments. Chemically modified silicon nanoparticles (30 nm) were previously found to require very low laser fluence in order to induce efficient LDI, which raised the question of internal energy deposition processes in that system. Here we report a comparative study of internal energy deposition from silicon nanoparticles to previously explored benzylpyridinium (BP) model compounds during LDI experiments. The internal energy deposition in silicon nanoparticle-assisted laser desorption/ionization (SPALDI) with different fluorinated linear chain modifiers (decyl, hexyl and propyl) was compared to LDI from untreated silicon nanoparticles and from the organic matrix, [alpha]-cyano-4-hydroxycinnamic acid (CHCA). The energy deposition to internal vibrational modes was evaluated by molecular ion survival curves and indicated that the ions produced by SPALDI have an internal energy threshold of 2.8-3.7 eV. This is slightly lower than the internal energy induced using the organic CHCA matrix, with similar molecular survival curves as previously reported for LDI off silicon nanowires. However, the internal energy associated with desorption/ionization from the silicon nanoparticles is significantly lower than that reported for desorption/ionization on silicon (DIOS). The measured survival yields in SPALDI gradually decrease with increasing laser fluence, contrary to reported results for silicon nanowires. The effect of modification of the silicon particle surface with semifluorinated linear chain silanes, including fluorinated decyl (C10), fluorinated hexyl (C6) and fluorinated propyl (C3) was explored too. The internal energy deposited increased with a decrease in the length of the modifier alkyl chain. Unmodified silicon particles exhibited the highest analyte internal energy

On the role of energy deposition in triggering SEGR in power MOSFETs

International Nuclear Information System (INIS)

Selva, L.E.; Swift, G.M.; Taylor, W.A.; Edmonds, L.D.

1999-01-01

Single event gate rupture (SEGR) was studied using three types of power MOSFET devices with ions having incident linear energy transfers (LETs) in silicon from 26 to 82 MeV·cm 2 /mg. Results are: (1) consistent with Wrobel's oxide breakdown for V DS = 0 volts (for both normal incidence and angle); and (2) when V GS = 0 volts, energy deposited near the Si/SiO 2 interface is more important than the energy deposited deeper in the epi

Effect of electron degeneracy on fast-particles energy deposition in dense plasma systems

International Nuclear Information System (INIS)

Johzaki, T.; Nakao, Y.; Nakashima, H.; Kudo, K.

1997-01-01

The effects of electron degeneracy on fast-particles energy deposition in dense plasmas are investigated by making transport calculations for the fast particles. It is found that the degeneracy substantially affects the profiles of energy deposition of 3.52-MeV α-particles. On the other hand, the effect on the energy deposition of 14.1-MeV neutrons is negligibly small because the recoil ions, which transfer the neutron energy to the plasma constituents, are produced in a whole plasma volume due to the long mean-free-path of neutrons. The coupled transport-hydrodynamic calculations show that these effects of degeneracy are negligible in the ignition and burn characteristics of central ignition D-T targets. (author)

Numerical study on increasing mass flow ratio by energy deposition of high frequency pulsed laser

International Nuclear Information System (INIS)

Wang Diankai; Hong Yanji; Li Qian

2013-01-01

The mass flow ratio (MFR) of air breathing ramjet inlet would be decreased, when the Mach number is lower than the designed value. High frequency pulsed laser energy was deposited upstream of the cowl lip to reflect the stream so as to increase the MFR. When the Mach number of the flow was 5.0, and the static pressure and temperature of the flow were 2 551.6 Pa and 116.7 K, respectively, two-dimensional non-stationary compressible RANS equations were solved with upwind format to study the mechanisms of increasing MFR by high frequency pulsed laser energy deposition. The laser deposition frequency was 100 kHz and the average power was 500 W. The crossing point of the first forebody oblique shock and extension line of cowl lip was selected as the expected point. Then the deposition position was optimized by searching near the expected point. The results indicate that with the optimization of laser energy deposition position, the MFR would be increased from 63% to 97%. The potential value of increasing MFR by high frequency pulsed laser energy deposition was proved. The method for selection of the energy deposition position was also presented. (authors)

Magnetic field effects on runaway electron energy deposition in plasma facing materials and components

International Nuclear Information System (INIS)

Niemer, K.A.; Gilligan, J.G.

1992-01-01

This paper reports magnetic field effects on runaway electron energy deposition in plasma facing materials and components is investigated using the Integrated TIGER Series. The Integrated TIGER Series is a set of time-independent coupled electron/photon Monte Carlo transport codes which perform photon and electron transport, with or without macroscopic electric and magnetic fields. A three-dimensional computational model of 100 MeV electrons incident on a graphite block was used to simulate runawayelectrons striking a plasma facing component at the edge of a tokamak. Results show that more energy from runaway electrons will be deposited in a material that is in the presence of a magnetic field than in a material that is in the presence of no field. For low angle incident runaway electrons in a strong magnetic field, the majority of the increased energy deposition is near the material surface with a higher energy density. Electrons which would have been reflected with no field, orbit the magnetic field lines and are redeposited in the material surface, resulting in a substantial increase in surface energy deposition. Based on previous studies, the higher energy deposition and energy density will result in higher temperatures which are expected to cause more damage to a plasma facing component

Halite depositional facies in a solar salt pond: A key to interpreting physical energy and water depth in ancient deposits?

Science.gov (United States)

Robertson Handford, C.

1990-08-01

Subaqueous deposits of aragonite, gypsum, and halite are accumulating in shallow solar salt ponds constructed in the Pekelmeer, a sea-level sauna on Bonaire, Netherlands Antilles. Several halite facies are deposited in the crystallizer ponds in response to differences in water depth and wave energy. Cumulate halite, which originates as floating rafts, is present only along the protected, upwind margins of ponds where low-energy conditions foster their formation and preservation. Cornet crystals with peculiar mushroom- and mortarboard-shaped caps precipitate in centimetre-deep brine sheets within a couple of metres of the upwind or low-energy margins. Downwind from these margins, cornet and chevron halite precipitate on the pond floors in water depths ranging from a few centimetres to ˜60 cm. Halite pisoids with radial-concentric structure are precipitated in the swash zone along downwind high-energy shorelines where they form pebbly beaches. This study suggests that primary halite facies are energy and/or depth dependent and that some primary features, if preserved in ancient halite deposits, can be used to infer physical energy conditions, subenvironments such as low- to high-energy shorelines, and extremely shallow water depths in ancient evaporite basins.

Monte Carlo calculation of the energy deposited in the KASCADE GRANDE detectors

International Nuclear Information System (INIS)

Mihai, Constantin

2004-01-01

The energy deposited by protons, electrons and positrons in the KASCADE GRANDE detectors is calculated with a simple and fast Monte Carlo method. The KASCADE GRANDE experiment (Forschungszentrum Karlsruhe, Germany), based on an array of plastic scintillation detectors, has the aim to study the energy spectrum of the primary cosmic rays around and above the 'knee' region of the spectrum. The reconstruction of the primary spectrum is achieved by comparing the data collected by the detectors with simulations of the development of the extensive air shower initiated by the primary particle combined with detailed simulations of the detector response. The simulation of the air shower development is carried out with the CORSIKA Monte Carlo code. The output file produced by CORSIKA is further processed with a program that estimates the energy deposited in the detectors by the particles of the shower. The standard method to calculate the energy deposit in the detectors is based on the Geant package from the CERN library. A new method that calculates the energy deposit by fitting the Geant based distributions with simpler functions is proposed in this work. In comparison with the method based on the Geant package this method is substantially faster. The time saving is important because the number of particles involved is large. (author)

Low-energy ion-beam deposition apparatus equipped with surface analysis system

International Nuclear Information System (INIS)

Ohno, Hideki; Aoki, Yasushi; Nagai, Siro.

1994-10-01

A sophisticated apparatus for low energy ion beam deposition (IBD) was installed at Takasaki Radiation Chemistry Research Establishment of JAERI in March 1991. The apparatus is composed of an IBD system and a real time/in-situ surface analysis system for diagnosing deposited thin films. The IBD system provides various kinds of low energy ion down to 10 eV with current density of 10 μA/cm 2 and irradiation area of 15x15 mm 2 . The surface analysis system consists of RHEED, AES, ISS and SIMS. This report describes the characteristics and the operation procedure of the apparatus together with some experimental results on depositing thin carbon films. (author)

Effect of heat treatment on the characteristics of tool steel deposited by the directed energy deposition process

Science.gov (United States)

Park, Jun Seok; Lee, Min-Gyu; Cho, Yong-Jae; Sung, Ji Hyun; Jeong, Myeong-Sik; Lee, Sang-Kon; Choi, Yong-Jin; Kim, Da Hye

2016-01-01

The directed energy deposition process has been mainly applied to re-work and the restoration of damaged steel. Differences in material properties between the base and the newly deposited materials are unavoidable, which may affect the mechanical properties and durability of the part. We investigated the effect of heat treatment on the characteristics of tool steel deposited by the DED process. We prepared general tool steel materials of H13 and D2 that were deposited onto heat-treated substrates of H13 and D2, respectively, using a direct metal tooling process. The hardness and microstructure of the deposited steel before and after heat treatment were investigated. The hardness of the deposited H13 steel was higher than that of wrought H13 steel substrate, while that of the deposited D2 was lower than that of wrought D2. The evolution of the microstructures by deposition and heat treatment varied depending on the materials. In particular, the microstructure of the deposited D2 steel after heat treatment consisted of fine carbides in tempered martensite and it is expected that the deposited D2 steel will have isotropic properties and high hardness after heat treatment.

UV laser deposition of metal films by photogenerated free radicals

Science.gov (United States)

Montgomery, R. K.; Mantei, T. D.

1986-01-01

A novel photochemical method for liquid-phase deposition of metal films is described. In the liquid phase deposition scheme, a metal containing compound and a metal-metal bonded carbonyl complex are dissolved together in a polar solvent and the mixture is irradiated using a UV laser. The optical arrangement consists of a HeCd laser which provides 7 mW of power at a wavelength of 325 nm in the TEM(OO) mode. The beam is attenuated and may be expanded to a diameter of 5-20 mm. Experiments with photochemical deposition of silver films onto glass and quartz substrates are described in detail. Mass spectrometric analysis of deposited silver films indicated a deposition rate of about 1 A/s at incident power levels of 0.01 W/sq cm. UV laser-induced copper and palladium films have also been obtained. A black and white photograph showing the silver Van Der Pauw pattern of a solution-deposited film is provided.

Photoisomerization and photodissociation dynamics of reactive free radicals

Energy Technology Data Exchange (ETDEWEB)

Bise, Ryan T. [Univ. of California, Berkeley, CA (United States)

2000-08-01

The photofragmentation pathways of chemically reactive free radicals have been examined using the technique of fast beam photofragment translational spectroscopy. Measurements of the photodissociation cross-sections, product branching ratios, product state energy distributions, and angular distributions provide insight into the excited state potential energy surfaces and nonadiabatic processes involved in the dissociation mechanisms. Photodissociation spectroscopy and dynamics of the predissociative $\\tilde{A}$²A₁ and $\\tilde{B}$²A₂ states of CH₃S have been investigated. At all photon energies, CH₃ + S(³P_j), was the main reaction channel. The translational energy distributions reveal resolved structure corresponding to vibrational excitation of the CH₃ umbrella mode and the S(³P_j) fine-structure distribution from which the nature of the coupled repulsive surfaces is inferred. Dissociation rates are deduced from the photofragment angular distributions, which depend intimately on the degree of vibrational excitation in the C-S stretch. Nitrogen combustion radicals, NCN, CNN and HNCN have also been studied. For all three radicals, the elimination of molecular nitrogen is the primary reaction channel. Excitation to linear excited triplet and singlet electronic states of the NCN radical generates resolved vibrational structure of the N₂ photofragment. The relatively low fragment rotational excitation suggests dissociation via a symmetric C_2V transition state. Resolved vibrational structure of the N₂ photofragment is also observed in the photodissociation of the HNCN radical. The fragment vibrational and rotational distributions broaden with increased excitation energy. Simple dissociation models suggest that the HNCN radical isomerizes to a cyclic intermediate (c-HCNN) which then dissociates via a tight cyclic

Thermochemical properties for isooctane and carbon radicals: computational study.

Science.gov (United States)

Snitsiriwat, Suarwee; Bozzelli, Joseph W

2013-01-17

Thermochemical properties for isooctane, its internal rotation conformers, and radicals with corresponding bond energies are determined by use of computational chemistry. Enthalpies of formation are determined using isodesmic reactions with B3LYP density function theory and composite CBS-QB3 methods. Application of group additivity with comparison to calculated values is illustrated. Entropy and heat capacities are determined using geometric parameters, internal rotor potentials, and frequencies from B3LYP/6-31G(d,p) calculations for the lowest energy conformer. Internal rotor potentials are determined for the isooctane parent and for the primary, secondary, and tertiary radicals in order to identify isomer energies. Intramolecular interactions are shown to have a significant effect on the enthalpy of formation of the isooctane parent and its radicals. The computed standard enthalpy of formation for the lowest energy conformers of isooctane from this study is -54.40 ± 1.60 kcal mol(-1), which is 0.8 kcal mol(-1) lower than the evaluated experimental value -53.54 ± 0.36 kcal mol(-1). The standard enthalpy of formation for the primary radical for a methyl on the quaternary carbon is -5.00 ± 1.69 kcal mol(-1), for the primary radical on the tertiary carbon is -5.18 ± 1.69 kcal mol(-1), for the secondary isooctane radical is -9.03 ± 1.84 kcal mol(-1), and for the tertiary isooctane radical is -12.30 ± 2.02 kcal mol(-1). Bond energy values for the isooctane radicals are 100.64 ± 1.73, 100.46 ± 1.73, 96.41 ± 1.88 and 93.14 ± 2.05 kcal mol(-1) for C3•CCCC2, C3CCCC2•, C3CC•CC2, and C3CCC•C2, respectively. Entropy and heat capacity values are reported for the lowest energy homologues.

Discharge cleaning of carbon deposits

International Nuclear Information System (INIS)

Mozetic, M.; Vesel, A.; Drenik, A.

2006-01-01

Experimental results of discharge cleaning of carbon deposits are presented. Deposits were prepared by creating plasma in pure methane. The methane was cracked in RF discharge at the output power of 250 W. The resultant radicals were bonded to the wall of discharge vessel forming a thin film of hydrogenated black carbon with the thickness of about 200nm. The film was then cleaned in situ by oxygen plasma with the density of about 1x10 16 m -3 , electron temperature of 5 eV, neutral gas kinetic temperature of about 100 0 C and neutral atom density of 6x10 21 m -3 . The treatment time was 30 minutes. The efficiency of plasma cleaning was monitored by optical emission spectroscopy. As long as the wall was contaminated with carbon deposit, substantial emission of the CO molecules was detected. As the cleaning was in progress, the CO emission was decreasing and vanished after 30 minutes when the discharge vessel became free of any carbon. The results are explained by interaction of plasma radicals with carbon deposits. (author)

Plasma deposited fluorinated films on porous membranes

Energy Technology Data Exchange (ETDEWEB)

Gancarz, Irena [Department of Polymer and Carbon Materials, Wrocław University of Technology, 50-370 Wrocław (Poland); Bryjak, Marek, E-mail: marek.bryjak@pwr.edu.pl [Department of Polymer and Carbon Materials, Wrocław University of Technology, 50-370 Wrocław (Poland); Kujawski, Jan; Wolska, Joanna [Department of Polymer and Carbon Materials, Wrocław University of Technology, 50-370 Wrocław (Poland); Kujawa, Joanna; Kujawski, Wojciech [Nicolaus Copernicus University, Faculty of Chemistry, 7 Gagarina St., 87-100 Torun (Poland)

2015-02-01

75 KHz plasma was used to modify track etched poly(ethylene terephthalate) membranes and deposit on them flouropolymers. Two fluorine bearing monomers were used: perflourohexane and hexafluorobenzene. The modified surfaces were analyzed by means of attenuated total reflection infra-red spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy, atomic force microscopy and wettability. It was detected that hexaflourobenxene deposited to the larger extent than perflourohaxane did. The roughness of surfaces decreased when more fluoropolymer was deposited. The hydrophobic character of surface slightly disappeared during 20-days storage of hexaflourobenzene modified membrane. Perfluorohexane modified membrane did not change its character within 120 days after modification. It was expected that this phenomenon resulted from post-reactions of oxygen with radicals in polymer deposits. The obtained membranes could be used for membrane distillation of juices. - Highlights: • Plasma deposited hydrophobic layer of flouropolymers. • Deposition degree affects the surface properties. • Hydrohilization of surface due to reaction of oxygen with entrapped radicals. • Possibility to use modified porous membrane for water distillation and apple juice concentration.

Energy deposition patterns within limb models heated with a mini annular phased array (MAPA) applicator

International Nuclear Information System (INIS)

Guerquin-Kern, J.L.; Hagmann, M.J.; Charny, C.K.; Levin, R.L.

1986-01-01

A series of experiments has been carried out in order to characterize a MAPA applicator prior to possible clinical implementation. The energy deposition patterns were determined in several human limb models of different complexities. The maximum energy deposition observed in a homogeneous cylindrical phantom was found to be at the middle of the applicator. For more realistically shaped, homogeneous limb models, the point of maximum energy deposition was shifted towards a smaller cross-sectional region; this was also the case for isolated human legs. Furthermore, significant heating was observed in the bone of the isolated legs. Such phenomena illustrate the limitation of using classical 2-D numerical models for predicting the energy deposition patterns in heterogeneous bodies

Investigating energy deposition within cell populations using Monte Carlo simulations.

Science.gov (United States)

Oliver, Patricia A K; Thomson, Rowan M

2018-06-27

In this work, we develop multicellular models of healthy and cancerous human soft tissues, which are used to investigate energy deposition in subcellular targets, quantify the microdosimetric spread in a population of cells, and determine how these results depend on model details. Monte Carlo (MC) tissue models combining varying levels of detail on different length scales are developed: microscopically-detailed regions of interest (>1500 explicitly-modelled cells) are embedded in bulk tissue phantoms irradiated by photons (20 keV to 1.25 MeV). Specific energy (z; energy imparted per unit mass) is scored in nuclei and cytoplasm compartments using the EGSnrc user-code egs_chamber; specific energy mean, <z>, standard deviation, σ_z, and distribution, f(z,D), are calculated for a variety of macroscopic doses, D. MC-calculated f(z,D) are compared with normal distributions having the same mean and standard deviation. For mGy doses, there is considerable variation in energy deposition (microdosimetric spread) throughout a cell population: e.g., for 30 keV photons irradiating melanoma with 7.5 μm cell radius and 3 μm nuclear radius, σ_z/<z> for nuclear targets is 170%, and the fraction of nuclei receiving no energy deposition, f_z=0, is 0.31 for a dose of 10 mGy. If cobalt-60 photons are considered instead, then σ_z/<z> decreases to 84%, and f_z=0 decreases to 0.036. These results correspond to randomly arranged cells with cell/nucleus sizes randomly sampled from a normal distribution with a standard deviation of 1 μm. If cells are arranged in a hexagonal lattice and cell/nucleus sizes are uniform throughout the population, then σ_z/<z> decreases to 106% and 68% for 30 keV and cobalt-60,respectively; f_z=0

Time resolved resonance Raman spectra of anilino radical and aniline radical cation

International Nuclear Information System (INIS)

Tripathi, G.N.R.; Schuler, R.H.

1987-01-01

We report, in this paper, submicrosecond time resolved resonance Raman spectra of anilino radical and its radical cation as observed in pulse radiolytic studies of the oxidation of aniline in aqueous solution. By excitation in resonance with the broad and weak electronic transition of anilino radical at 400 nm (ε--1250 M -1 cm -1 ) we have observed, for the first time, the vibrational features of this radical. The Wilson ν 8 /sub a/ ring stretching mode at 1560 cm -1 is most strongly resonance enhanced. The ν 7 /sub a/ CN stretching band at 1505 cm -1 , which is shifted to higher frequency by 231 cm -1 with respect to aniline, is also prominent. The frequency of this latter mode indicates that the CN bond in the radical has considerable double bond character. The Raman spectrum of aniline radical cation, excited in resonance with the --425 nm electronic absorption (ε--4000 M -1 cm -1 ), shows features which are similar to phenoxyl radical. Most of the observed frequencies of this radical in solution are in good agreement with vibrational energies determined by recent laser photoelectron spectroscopic studies in the vapor phase. The bands most strongly enhanced in the resonance Raman spectrum are, however, weak in the photoelectron spectrum. While the vibrational frequencies observed for anilino radical and its isoelectronic cation are quite similar, the resonance enhancement patterns are very different. In particular the ν 14 b 2 mode of anilino radical observed at 1324 cm -1 is highly resonance enhanced because of strong vibronic coupling between the 400 nm 2 A 2 -- 2 B 1 and the higher 2 B 1 -- 2 B 1 electronic transitions

Hydrogen abstraction from n-butanol by the methyl radical: high level ab initio study of abstraction pathways and the importance of low energy rotational conformers.

Science.gov (United States)

Katsikadakos, D; Hardalupas, Y; Taylor, A M K P; Hunt, P A

2012-07-21

Hydrogen abstraction reactions by the methyl radical from n-butanol have been investigated at the ROCBS-QB3 level of theory. Reaction energies and product geometries for the most stable conformer of n-butanol (ROH) have been computed, the reaction energies order α channel more stable than the β-channel? Why do the two C(γ)-H H-abstraction TS differ in energy? The method and basis set dependence of the TS barriers is investigated. The Boltzmann probability distribution for the n-butanol conformers suggests that low energy conformers are present in approximately equal proportions to the most stable conformer at combustion temperatures where ĊH(3) radicals are present. Thus, the relative significance of the various H-abstraction channels has been assessed for a selection of higher energy conformers (ROH'). Key results include finding that higher energy n-butanol conformers (E(ROH') > E(ROH)) can generate lower energy product radicals, E(ROH') < E(ROH). Moreover, higher energy conformers can also have a globally competitive TS energy for H-abstraction.

Physiology of free radicals

Directory of Open Access Journals (Sweden)

Stevanović Jelka

2011-01-01

Full Text Available Free radicals imply that every atom, molecule, ion, group of atoms, or molecules with one or several non-paired electrons in outer orbital. Among these are: nitrogenoxide (NO•, superoxide-anion-radical (O2•-, hydroxyl radical (OH•, peroxyl radical (ROO•, alcoxyl radical (RO• and hydroperoxyl radical (HO2•. However, reactive oxygen species also include components without non-paired electrons in outer orbital (so-called reactive non-radical agents, such as: singlet oxygen (1O2, peroxynitrite (ONOO-, hydrogen-peroxide (H2O2, hypochloric acid (eg. HOCl and ozone (O3. High concentrations of free radicals lead to the development of oxidative stress which is a precondition for numerous pathological effects. However, low and moderate concentrations of these matter, which occur quite normally during cell metabolic activity, play multiple significant roles in many reactions. Some of these are: regulation of signal pathways within the cell and between cells, the role of chemoattractors and leukocyte activators, the role in phagocytosis, participation in maintaining, changes in the position and shape of the cell, assisting the cell during adaption and recovery from damage (e.g.caused by physical effort, the role in normal cell growth, programmed cell death (apoptosis and cell ageing, in the synthesis of essential biological compounds and energy production, as well as the contribution to the regulation of the vascular tone, actually, tissue vascularization.

Relationship between energy deposition and shock wave phenomenon in an underwater electrical wire explosion

Science.gov (United States)

Han, Ruoyu; Zhou, Haibin; Wu, Jiawei; Qiu, Aici; Ding, Weidong; Zhang, Yongmin

2017-09-01

An experimental study of pressure waves generated by an exploding copper wire in a water medium is performed. We examined the effects of energy deposited at different stages on the characteristics of the resulting shock waves. In the experiments, a microsecond time-scale pulsed current source was used to explode a 300-μm-diameter, 4-cm-long copper wire with initial stored energies ranging from 500 to 2700 J. Our experimental results indicated that the peak pressure (4.5-8.1 MPa) and energy (49-287 J) of the shock waves did not follow a simple relationship with any electrical parameters, such as peak voltage or deposited energy. Conversely, the impulse had a quasi-linear relationship with the parameter Π. We also found that the peak pressure was mainly influenced by the energy deposited before separation of the shock wave front and the discharge plasma channel (DPC). The decay time constant of the pressure waveform was affected by the energy injection after the separation. These phenomena clearly demonstrated that the deposited energy influenced the expansion of the DPC and affected the shock wave characteristics.

Studies on the high electronic energy deposition in polyaniline thin films

International Nuclear Information System (INIS)

Deshpande, N.G.; Gudage, Y.G.; Vyas, J.C.; Singh, F.; Sharma, Ramphal

2008-01-01

We report here the physico-chemical changes brought about by high electronic energy deposition of gold ions in HCl doped polyaniline (PANI) thin films. PANI thin films were synthesized by in situ polymerization technique. The as-synthesized PANI thin films of thickness 160 nm were irradiated using Au 7+ ion of 100 MeV energy at different fluences, namely, 5 x 10 11 ions/cm 2 and 5 x 10 12 ions/cm 2 , respectively. A significant change was seen after irradiation in electrical and photo conductivity, which may be related to increased carrier concentration, and structural modifications in the polymer film. In addition, the high electronic energy deposition showed other effects like cross-linking of polymer chains, bond breaking and creation of defect sites. AFM observations revealed mountainous type features in all (before and after irradiation) PANI samples. The average size (diameter) and density of such mountainous clusters were found to be related with the ion fluence. The AFM profiles also showed change in the surface roughness of the films with respect to irradiation, which is one of the peculiarity of the high electronic energy deposition technique

Evaluation of energy deposition by 153Sm in small samples

International Nuclear Information System (INIS)

Cury, M.I.C.; Siqueira, P.T.D.; Yoriyaz, H.; Coelho, P.R.P.; Da Silva, M.A.; Okazaki, K.

2002-01-01

Aim: This work presents evaluations of the absorbed dose by 'in vitro' blood cultures when mixed with 153 Sm solutions of different concentrations. Although 153 Sm is used as radiopharmaceutical mainly due to its beta emission, which is short-range radiation, it also emits gamma radiation which has a longer-range penetration. Therefore it turns to be a difficult task to determine the absorbed dose by small samples where the infinite approximation is no longer valid. Materials and Methods: MCNP-4C (Monte Carlo N - Particle transport code) has been used to perform the evaluations. It is not a deterministic code that calculates the value of a specific quantity solving the physical equations involved in the problem, but a virtual experiment where the events related to the problems are simulated and the concerned quantities are tallied. MCNP also stands out by its possibilities to specify geometrically any problem. However, these features, among others, turns MCNP in a time consuming code. The simulated problem consists of a cylindrical plastic tube with 1.5 cm internal diameter and 0.1cm thickness. It also has 2.0 cm height conic bottom end, so that the represented sample has 4.0 ml ( consisted by 1 ml of blood and 3 ml culture medium). To evaluate the energy deposition in the blood culture in each 153 Sm decay, the problem has been divided in 3 steps to account to the β- emissions (which has a continuum spectrum), gammas and conversion and Auger electrons emissions. Afterwards each emission contribution was weighted and summed to present the final value. Besides this radiation 'fragmentation', simulations were performed for many different amounts of 153 Sm solution added to the sample. These amounts cover a range from 1μl to 0.5 ml. Results: The average energy per disintegration of 153 Sm is 331 keV [1]. Gammas account for 63 keV and β-, conversion and Auger electrons account for 268 keV. The simulations performed showed an average energy deposition of 260 ke

Influence of krypton atoms on the structure of hydrogenated amorphous carbon deposited by plasma enhanced chemical vapor deposition

Science.gov (United States)

Oliveira, M. H.; Viana, G. A.; de Lima, M. M.; Cros, A.; Cantarero, A.; Marques, F. C.

2010-12-01

Hydrogenated amorphous carbon (a-C:H) films were prepared by plasma enhanced chemical vapor deposition using methane (CH4) plus krypton (Kr) mixed atmosphere. The depositions were performed as function of the bias voltage and krypton partial pressure. The goal of this work was to study the influence of krypton gas on the physical properties of a-C:H films deposited on the cathode electrode. Krypton concentration up to 1.6 at. %, determined by Rutherford Back-Scattering, was obtained at high Kr partial pressure and bias of -120 V. The structure of the films was analyzed by means of optical transmission spectroscopy, multi-wavelength Raman scattering and Fourier Transform Infrared spectroscopy. It was verified that the structure of the films remains unchanged up to a concentration of Kr of about 1.0 at. %. A slight graphitization of the films occurs for higher concentration. The observed variation in the film structure, optical band gap, stress, and hydrogen concentration were associated mainly with the subplantation process of hydrocarbons radicals, rather than the krypton ion energy.

Influence of krypton atoms on the structure of hydrogenated amorphous carbon deposited by plasma enhanced chemical vapor deposition

International Nuclear Information System (INIS)

Oliveira, M. H. Jr.; Viana, G. A.; Marques, F. C.; Lima, M. M. Jr. de; Cros, A.; Cantarero, A.

2010-01-01

Hydrogenated amorphous carbon (a-C:H) films were prepared by plasma enhanced chemical vapor deposition using methane (CH 4 ) plus krypton (Kr) mixed atmosphere. The depositions were performed as function of the bias voltage and krypton partial pressure. The goal of this work was to study the influence of krypton gas on the physical properties of a-C:H films deposited on the cathode electrode. Krypton concentration up to 1.6 at. %, determined by Rutherford Back-Scattering, was obtained at high Kr partial pressure and bias of -120 V. The structure of the films was analyzed by means of optical transmission spectroscopy, multi-wavelength Raman scattering and Fourier Transform Infrared spectroscopy. It was verified that the structure of the films remains unchanged up to a concentration of Kr of about 1.0 at. %. A slight graphitization of the films occurs for higher concentration. The observed variation in the film structure, optical band gap, stress, and hydrogen concentration were associated mainly with the subplantation process of hydrocarbons radicals, rather than the krypton ion energy.

Adenine radicals generated in alternating AT duplexes by direct absorption of low-energy UV radiation.

Science.gov (United States)

Banyasz, Akos; Ketola, Tiia; Martínez-Fernández, Lara; Improta, Roberto; Markovitsi, Dimitra

2018-04-17

There is increasing evidence that the direct absorption of photons with energies that are lower than the ionization potential of nucleobases may result in oxidative damage to DNA. The present work, which combines nanosecond transient absorption spectroscopy and quantum mechanical calculations, studies this process in alternating adenine-thymine duplexes (AT)n. We show that the one-photon ionization quantum yield of (AT)10 at 266 nm (4.66 eV) is (1.5 ± 0.3) × 10-3. According to our PCM/TD-DFT calculations carried out on model duplexes composed of two base pairs, (AT)1 and (TA)1, simultaneous base pairing and stacking does not induce important changes in the absorption spectra of the adenine radical cation and deprotonated radical. The adenine radicals, thus identified in the time-resolved spectra, disappear with a lifetime of 2.5 ms, giving rise to a reaction product that absorbs at 350 nm. In parallel, the fingerprint of reaction intermediates other than radicals, formed directly from singlet excited states and assigned to AT/TA dimers, is detected at shorter wavelengths. PCM/TD-DFT calculations are carried out to map the pathways leading to such species and to characterize their absorption spectra; we find that, in addition to the path leading to the well-known TA* photoproduct, an AT photo-dimerization path may be operative in duplexes.

Energy deposition and thermal effects of runaway electrons in ITER-FEAT plasma facing components

International Nuclear Information System (INIS)

Maddaluno, G.; Maruccia, G.; Merola, M.; Rollet, S.

2003-01-01

The profile of energy deposited by runaway electrons (RAEs) of 10 or 50 MeV in International Thermonuclear Experimental Reactor-Fusion Energy Advanced Tokamak (ITER-FEAT) plasma facing components (PFCs) and the subsequent temperature pattern have been calculated by using the Monte Carlo code FLUKA and the finite element heat conduction code ANSYS. The RAE energy deposition density was assumed to be 50 MJ/m 2 and both 10 and 100 ms deposition times were considered. Five different configurations of PFCs were investigated: primary first wall armoured with Be, with and without protecting CFC poloidal limiters, both port limiter first wall options (Be flat tile and CFC monoblock), divertor baffle first wall, armoured with W. The analysis has outlined that for all the configurations but one (port limiter with Be flat tile) the heat sink and the cooling tube beneath the armour are well protected for both RAE energies and for both energy deposition times. On the other hand large melting (W, Be) or sublimation (C) of the surface layer occurs, eventually affecting the PFCs lifetime

Energy deposition and thermal effects of runaway electrons in ITER-FEAT plasma facing components

Science.gov (United States)

Maddaluno, G.; Maruccia, G.; Merola, M.; Rollet, S.

2003-03-01

The profile of energy deposited by runaway electrons (RAEs) of 10 or 50 MeV in International Thermonuclear Experimental Reactor-Fusion Energy Advanced Tokamak (ITER-FEAT) plasma facing components (PFCs) and the subsequent temperature pattern have been calculated by using the Monte Carlo code FLUKA and the finite element heat conduction code ANSYS. The RAE energy deposition density was assumed to be 50 MJ/m 2 and both 10 and 100 ms deposition times were considered. Five different configurations of PFCs were investigated: primary first wall armoured with Be, with and without protecting CFC poloidal limiters, both port limiter first wall options (Be flat tile and CFC monoblock), divertor baffle first wall, armoured with W. The analysis has outlined that for all the configurations but one (port limiter with Be flat tile) the heat sink and the cooling tube beneath the armour are well protected for both RAE energies and for both energy deposition times. On the other hand large melting (W, Be) or sublimation (C) of the surface layer occurs, eventually affecting the PFCs lifetime.

Photons, missing energy and the quest for supersymmetry at the LHC

Energy Technology Data Exchange (ETDEWEB)

Gebbert, Ulla

2012-03-15

In this thesis a search for supersymmetry in events with at least one photon, jets and missing transverse energy (E{sub T}) in an integrated luminosity of 4.32 fb{sup -1} of pp collisions at {radical}(s)=7 TeV is presented. The data is recorded by the CMS detector in 2011. Final states with photons are expected in models with gauge mediated supersymmetry breaking, where the lightest supersymmetric particle is the gravitino. The gravitino leaves the detector without energy deposition and thus leads to missing transverse momentum in the event. E{sub T} is crucial to distinguish the signal from the Standard Model events and is reconstructed from all energy deposits in the detector. Due to the non-linearity of the response in the calorimeter, additional corrections are required. In this thesis, a data driven technique to determine the correction for unclustered energy deposits, using the transverse momentum balance between a Z boson and the hadronic recoil, is presented. For the search for supersymmetry the E{sub T} distribution measured in data is compared to the expected Standard Model distribution. For this purpose the main Standard Model background processes from QCD multi- and photon-jet or electro-weak processes are modelled using data events. No excess over the Standard Model expectation is observed. Exclusion limits at the 95% CL are set and interpreted in the GMSB parameter space.

Cumulative percent energy deposition of photon beam incident on different targets, simulated by Monte Carlo

International Nuclear Information System (INIS)

Kandic, A.; Jevremovic, T.; Boreli, F.

1989-01-01

Monte Carlo simulation (without secondary radiation) of the standard photon interactions (Compton scattering, photoelectric absorption and pair protection) for the complex slab's geometry is used in numerical code ACCA. A typical ACCA run will yield: (a) transmission of primary photon radiation differential in energy, (b) the spectrum of energy deposited in the target as a function of position and (c) the cumulative percent energy deposition as a function of position. A cumulative percent energy deposition of photon monoenergetic beam incident on simplest and complexity tissue slab and Fe slab are presented in this paper. (author). 5 refs.; 2 figs

Low energy Cu clusters slow deposition on a Fe (001) surface investigated by molecular dynamics simulation

Energy Technology Data Exchange (ETDEWEB)

Zhang, Shixu [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Laboratory of Advanced Nuclear Materials, Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Gong, Hengfeng [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Division of Nuclear Materials Science and Engineering, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Chen, Xuanzhi [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Li, Gongping, E-mail: ligp@lzu.edu.cn [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Wang, Zhiguang, E-mail: zhgwang@impcas.ac.cn [Laboratory of Advanced Nuclear Materials, Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

2014-09-30

Highlights: • We study the deposition of low energy Cu clusters on Fe (001) surface by molecular dynamics. • The interaction between low energy cluster and substrate can be divided to the landing and the thermal diffusion phases. • The phenomenon of contact epitaxy of cluster occurred. • The thermal diffusion of cluster atoms was analyzed. - Abstract: The slow deposition of low energy Cu clusters on a Fe (001) surface was investigated by molecular dynamics simulation. A many-body potential based on Finnis–Sinclair model was used to describe the interactions among atoms. Three clusters comprising of 13, 55 and 147 atoms, respectively, were deposited with incident energies ranging from 0.0 to 1.0 eV/atom at various substrate temperatures (0, 300 and 800 K). The rearrangement and the diffusion of cluster can occur, only when the cluster atoms are activated and obtained enough migration energy. The interaction between low energy cluster and substrate can be divided to the landing and the thermal diffusion phases. In the former, the migration energy originates from the latent heat of binding energy for the soft deposition regime and primarily comes from the incident energy of cluster for the energetic cluster deposition regime. In the latter, the thermal vibration would result in some cluster atoms activated again at medium and high substrate temperatures. Also, the effects of incident energy, cluster size and substrate temperature on the interaction potential energy between cluster and substrate, the final deposition morphology of cluster, the spreading index and the structure parameter of cluster are analyzed.

Neutrons and gamma transport in atmosphere by Tripoli-2 code. Energy deposit and electron current time function

International Nuclear Information System (INIS)

Vergnaud, T.; Nimal, J.C.; Ulpat, J.P.; Faucheux, G.

1988-01-01

The Tripoli-2 computer code has been adapted to calculate, in addition to energy deposit in matter by neutrons (Kerma) the energy deposit by gamma produced in neutronic impacts and the induced recoil electron current. The energy deposit conduces at air ionization, consequently at a conductibility. This knowledge added at that of electron current permit to resolve the Maxwell equations of electromagnetic field. The study is realized for an atmospheric explosion 100 meters high. The calculations of energy deposit and electron current have been conducted as far as 2.5km [fr

Energy deposition model for low-energy electrons (10-10 000 eV) in air

International Nuclear Information System (INIS)

Roldan, A.; Perez, J.M.; Williart, A.; Blanco, F.; Garcia, G.

2004-01-01

An energy deposition model for electrons in air that can be useful in microdosimetric applications is presented in this study. The model is based on a Monte Carlo simulation of the single electron scattering processes that can take place with the molecular constituents of the air in the energy range 10-10 000 eV. The input parameters for this procedure have been the electron scattering cross sections, both differential and integral. These parameters were calculated using a model potential method which describes the electron scattering with the molecular constituent of air. The reliability of the calculated integral cross section values has been evaluated by comparison with direct total electron scattering cross-section measurements performed by us in a transmission beam experiment. Experimental energy loss spectra for electrons in air have been used as probability distribution functions to define the electron energy loss in single collision events. The resulting model has been applied to simulate the electron transport through a gas cell containing air at different pressures and the results have been compared with those observed in the experiments. Finally, as an example of its applicability to dosimetric issues, the energy deposition of 10 000 eV by means of successive collisions in a free air chamber has been simulated

Mechanisms of ignition by transient energy deposition: Regimes of combustion wave propagation

OpenAIRE

Kiverin, A. D.; Kassoy, D. R.; Ivanov, M. F.; Liberman, M. A.

2013-01-01

Regimes of chemical reaction wave propagating in reactive gaseous mixtures, whose chemistry is governed by chain-branching kinetics, are studied depending on the characteristics of a transient thermal energy deposition localized in a finite volume of reactive gas. Different regimes of the reaction wave propagation are initiated depending on the amount of deposited thermal energy, power of the source, and the size of the hot spot. The main parameters which define regimes of the combustion wave...

Modeling high-density-plasma deposition of SiO{sub 2} in SiH{sub 4}/O{sub 2}/Ar

Energy Technology Data Exchange (ETDEWEB)

Meeks, E.; Larson, R.S. [Sandia National Labs., Livermore, CA (United States); Ho, P.; Apblett, C. [Sandia National Labs., Albuquerque, NM (United States); Han, S.M.; Edelberg, E.; Aydil, E. [Univ. of California, Santa Barbara, CA (United States)

1997-03-01

The authors have compiled sets of gas-phase and surface reactions for use in modeling plasma-enhanced chemical vapor deposition of silicon dioxide from silane, oxygen and argon gas mixtures in high-density-plasma reactors. They have applied the reaction mechanisms to modeling three different kinds of high-density plasma deposition chambers, and tested them by comparing model predictions to a variety of experimental measurements. The model simulates a well mixed reactor by solving global conservation equations averaged across the reactor volume. The gas-phase reaction mechanism builds from fundamental electron-impact cross section data available in the literature, and also includes neutral-molecule, ion-ion, and ion-molecule reaction paths. The surface reaction mechanism is based on insight from attenuated total-reflection Fourier-transform infrared spectroscopy experiments. This mechanism describes the adsorption of radical species on an oxide surface, ion-enhanced reactions leading to species desorption from the surface layer, radical abstractions competing for surface sites, and direct energy-dependent ion sputtering of the oxide material. Experimental measurements of total ion densities, relative radical densities as functions of plasma operating conditions, and net deposition-rate have been compared to model predictions to test and modify the chemical kinetics mechanisms. Results show good quantitative agreement between model predictions and experimental measurements.

Some reactions of oxidizing radicals with enzymes in aqueous solution

International Nuclear Information System (INIS)

Cundall, R.B.; Bisby, R.H.; Hoe, S.T.; Sims, H.E.; Anderson, R.F.

1979-01-01

A range of oxidizing radicals including some inorganic radical anions and the superoxide radical, can be generated by radiolysis of aqueous solutions. These radicals are more selective in their reactions with amino acids than the hydroxyl radical. Factors controlling the apparent reactivity of radical anions with proteins, such as free radical equilibria and ion-binding, are described. The superoxide radical inactivates papain by reaction with the cysteine residue. This reaction has been studied in solutions subjected to radiations of varying linear energy transfer. (Auth.)

Cation radicals of xanthophylls.

Science.gov (United States)

Galinato, Mary Grace I; Niedzwiedzki, Dariusz; Deal, Cailin; Birge, Robert R; Frank, Harry A

2007-10-01

Carotenes and xanthophylls are well known to act as electron donors in redox processes. This ability is thought to be associated with the inhibition of oxidative reactions in reaction centers and light-harvesting pigment-protein complexes of photosystem II (PSII). In this work, cation radicals of neoxanthin, violaxanthin, lutein, zeaxanthin, beta-cryptoxanthin, beta-carotene, and lycopene were generated in solution using ferric chloride as an oxidant and then studied by absorption spectroscopy. The investigation provides a view toward understanding the molecular features that determine the spectral properties of cation radicals of carotenoids. The absorption spectral data reveal a shift to longer wavelength with increasing pi-chain length. However, zeaxanthin and beta-cryptoxanthin exhibit cation radical spectra blue-shifted compared to that of beta-carotene, despite all of these molecules having 11 conjugated carbon-carbon double bonds. CIS molecular orbital theory quantum computations interpret this effect as due to the hydroxyl groups in the terminal rings selectively stabilizing the highest occupied molecular orbitals of preferentially populated s-trans-isomers. The data are expected to be useful in the analysis of spectral results from PSII pigment-protein complexes seeking to understand the role of carotene and xanthophyll cation radicals in regulating excited state energy flow, in protecting PSII reaction centers against photoinhibition, and in dissipating excess light energy absorbed by photosynthetic organisms but not used for photosynthesis.

Energy deposition measurements in fast reactor safety experiments with fission thermocouple detectors

International Nuclear Information System (INIS)

Wright, S.A.; Scott, H.L.

1979-01-01

The investigation of phenomena occurring in in-pile fast reactor safety experiments requires an accurate measurement of the time dependent energy depositions within the fissile material. At Sandia Laboratories thin-film fission thermocouples are being developed for this purpose. These detectors have high temperature capabilities (400 to 500 0 C), are sodium compatible, and have milli-second time response. A significant advantage of these detectors for use as energy deposition monitors is that they produce an output voltage which is directly dependent on the temperature of a small chip of fissile material within the detectors. However, heat losses within the detector make it necessary to correct the response of the detector to determine the energy deposition. A method of correcting the detector response which uses an inverse convolution procedure has been developed and successfully tested with experimental data obtained in the Sandia Pulse Reactor (SPR-II) and in the Annular Core Research Reactor

Kinetic-energy induced smoothening and delay of epitaxial breakdown in pulsed-laser deposition

International Nuclear Information System (INIS)

Shin, Byungha; Aziz, Michael J.

2007-01-01

We have isolated the effect of kinetic energy of depositing species from the effect of flux pulsing during pulsed-laser deposition (PLD) on surface morphology evolution of Ge(001) homoepitaxy at low temperature (100 deg. C). Using a dual molecular beam epitaxy (MBE) PLD chamber, we compare morphology evolution from three different growth methods under identical experimental conditions except for the differing nature of the depositing flux: (a) PLD with average kinetic energy 300 eV (PLD-KE); (b) PLD with suppressed kinetic energy comparable to thermal evaporation energy (PLD-TH); and (c) MBE. The thicknesses at which epitaxial breakdown occurs are ranked in the order PLD-KE>MBE>PLD-TH; additionally, the surface is smoother in PLD-KE than in MBE. The surface roughness of the films grown by PLD-TH cannot be compared due to the early epitaxial breakdown. These results demonstrate convincingly that kinetic energy is more important than flux pulsing in the enhancement of epitaxial growth, i.e., the reduction in roughness and the delay of epitaxial breakdown

Dissociation of metastable CH3CO radicals studied by time-resolved photofragment imaging

Science.gov (United States)

Suzuki, Toshinori; Shibata, Takeshi; Li, Haiyang

1998-05-01

A novel experimental technique to measure the energy- dependent unimolecular dissociation rate k(E) of radical species is presented. Internally excited CH3CO radicals were formed by ultraviolet photodissociation of CH3COCl, and the subsequent decay of these radicals was detected by subpicosecond time-clocked photofragment imaging. The CH3CO radicals with different internal energies were dispersed in space by their recoil velocities, and their decay rates were measured for each internal energy.

Nanostructured Electrodes Via Electrostatic Spray Deposition for Energy Storage System

KAUST Repository

Chen, C.

2014-10-02

Energy storage systems such as Li-ion batteries and supercapacitors are extremely important in today’s society, and have been widely used as the energy and power sources for portable electronics, electrical vehicles and hybrid electrical vehicles. A lot of research has focused on improving their performance; however, many crucial challenges need to be addressed to obtain high performance electrode materials for further applications. Recently, the electrostatic spray deposition (ESD) technique has attracted great interest to satisfy the goals. Due to its many advantages, the ESD technique shows promising prospects compared to other conventional deposition techniques. In this paper, our recent research outcomes related to the ESD derived anodes for Li-ion batteries and other applications is summarized and discussed.

Recent Development of Advanced Electrode Materials by Atomic Layer Deposition for Electrochemical Energy Storage.

Science.gov (United States)

Guan, Cao; Wang, John

2016-10-01

Electrode materials play a decisive role in almost all electrochemical energy storage devices, determining their overall performance. Proper selection, design and fabrication of electrode materials have thus been regarded as one of the most critical steps in achieving high electrochemical energy storage performance. As an advanced nanotechnology for thin films and surfaces with conformal interfacial features and well controllable deposition thickness, atomic layer deposition (ALD) has been successfully developed for deposition and surface modification of electrode materials, where there are considerable issues of interfacial and surface chemistry at atomic and nanometer scale. In addition, ALD has shown great potential in construction of novel nanostructured active materials that otherwise can be hardly obtained by other processing techniques, such as those solution-based processing and chemical vapor deposition (CVD) techniques. This review focuses on the recent development of ALD for the design and delivery of advanced electrode materials in electrochemical energy storage devices, where typical examples will be highlighted and analyzed, and the merits and challenges of ALD for applications in energy storage will also be discussed.

Energy deposition by heavy ions: additivity of kinetic and potential energy contributions in hillock formation on CaF2.

Science.gov (United States)

Wang, Y Y; Grygiel, C; Dufour, C; Sun, J R; Wang, Z G; Zhao, Y T; Xiao, G Q; Cheng, R; Zhou, X M; Ren, J R; Liu, S D; Lei, Y; Sun, Y B; Ritter, R; Gruber, E; Cassimi, A; Monnet, I; Bouffard, S; Aumayr, F; Toulemonde, M

2014-07-18

Modification of surface and bulk properties of solids by irradiation with ion beams is a widely used technique with many applications in material science. In this study, we show that nano-hillocks on CaF2 crystal surfaces can be formed by individual impact of medium energy (3 and 5 MeV) highly charged ions (Xe(22+) to Xe(30+)) as well as swift (kinetic energies between 12 and 58 MeV) heavy xenon ions. For very slow highly charged ions the appearance of hillocks is known to be linked to a threshold in potential energy (Ep) while for swift heavy ions a minimum electronic energy loss per unit length (Se) is necessary. With our results we bridge the gap between these two extreme cases and demonstrate, that with increasing energy deposition via Se the Ep-threshold for hillock production can be lowered substantially. Surprisingly, both mechanisms of energy deposition in the target surface seem to contribute in an additive way, which can be visualized in a phase diagram. We show that the inelastic thermal spike model, originally developed to describe such material modifications for swift heavy ions, can be extended to the case where both kinetic and potential energies are deposited into the surface.

Interaction region design driven by energy deposition

Science.gov (United States)

Martin, Roman; Besana, Maria Ilaria; Cerutti, Francesco; Langner, Andy; Tomás, Rogelio; Cruz-Alaniz, Emilia; Dalena, Barbara

2017-08-01

The European Strategy Group for High Energy Physics recommends to study collider designs for the post-LHC era. Among the suggested projects there is the circular 100 TeV proton-proton collider FCC-hh. Starting from LHC and its proposed upgrade HL-LHC, this paper outlines the development of the interaction region design for FCC-hh. We identify energy deposition from debris of the collision events as a driving factor for the layout and draft the guiding principles to unify protection of the superconducting final focus magnets from radiation with a high luminosity performance. Furthermore, we offer a novel strategy to mitigate the lifetime limitation of the first final focus magnet due to radiation load, the Q1 split.

Bleaching threshold of cationic radicals of alkanes and capture energy of the positive hole of these ions in irradiated solid matrix

International Nuclear Information System (INIS)

Van den Bosch, A.; Strobbe, M.; Ceulemans, J.

1984-01-01

Gamma irradiated Cl 3 CCF 3 shows an absorption band at about 360 nm, and another band, at 600 nm. The band at 600 nm disappears completely by irradiation with light of lambda>610 nm. Cl 3 CCF 3 containing 1% of decane irradiated at 77 K presents the some phenomena. Selective bleaching by photons of increasing energy allows the determination of the threshold for bleaching of cationic radicals of decane trapped in Cl 3 CCF 3 . Distinction between photoinduced charge transfer and photodissociation is obtained by addition of tetramethyl-p-phenylenediame. Showing that bleaching threshold corresponds to the capture energy of the positive hole on decane cationic radical [fr

Mass and energy deposition effects of implanted ions on solid sodium formate

Energy Technology Data Exchange (ETDEWEB)

Wang Xiangqin E-mail: clshao@mail.ipp.ac.cn; Shao Chunlin; Yao Jianming; Yu Zengliang

2000-07-01

Solid sodium formate was implanted by low energy N{sup +}, H{sup +}, and Ar{sup +} ions. Measured with electron paramagnetic resonance (EPR) and Fourier-transform infrared (FT-IR), it was observed that new -CH{sub 2}-, -CH{sub 3}- groups and COO{sup -} radical ion were produced in the implanted sodium formate. Analyzing with the highly sensitive ninhydrin reaction, it was found that a new -NH{sub 2} functional group was formed upon N{sup +} ion implantation, and its yield increased along with implantation dose but decreased with the ion's energy.

Energy deposition at the bone-tissue interface from nuclear fragments produced by high-energy nucleons

Science.gov (United States)

Cucinotta, Francis A.; Hajnal, Ferenc; Wilson, John W.

1990-01-01

The transport of nuclear fragmentation recoils produced by high-energy nucleons in the region of the bone-tissue interface is considered. Results for the different flux and absorbed dose for recoils produced by 1 GeV protons are presented in a bidirectional transport model. The energy deposition in marrow cavities is seen to be enhanced by recoils produced in bone. Approximate analytic formulae for absorbed dose near the interface region are also presented for a simplified range-energy model.

Photodissociation dynamics and spectroscopy of free radical combustion intermediates

Energy Technology Data Exchange (ETDEWEB)

Osborn, David Lewis [Univ. of California, Berkeley, CA (United States)

1996-12-01

The photodissociation spectroscopy and dynamics of free radicals is studied by the technique of fast beam photofragment translational spectroscopy. Photodetachment of internally cold, mass-selected negative ions produces a clean source of radicals, which are subsequently dissociated and detected. The photofragment yield as a function of photon energy is obtained, mapping out the dissociative and predissociative electronic states of the radical. In addition, the photodissociation dynamics, product branching ratios, and bond energies are probed at fixed photon energies by measuring the translational energy, P(E_T), and angular distribution of the recoiling fragments using a time- and position-sensitive detector. Ab initio calculations are combined with dynamical and statistical models to interpret the observed data. The photodissociation of three prototypical hydrocarbon combustion intermediates forms the core of this work.

The Games Radicals Play: Special Issue on Free Radicals and Radical Ions

Directory of Open Access Journals (Sweden)

John C. Walton

2015-02-01

Full Text Available Chemistry and Physics have aptly been described as “most excellent children of Intellect and Art” [1]. Both these “children” engage with many playthings, and molecules rank as one of their first favorites, especially radicals, which are amongst the most lively and exciting. Checking out radicals dancing to the music of entropy round their potential energy ballrooms is surely both entertaining and enlightening. Radicals’ old favorite convolutions are noteworthy, but the new styles, modes and arrangements appearing on the scene are even more interesting. Some of these are ephemeral and enjoy only a brief appearance, others are retro-types reappearing in new guises, still others are genuinely new and “go viral” in the scientific world. This Special Issue of Molecules contains the observations and reflections of a select group of chemists and physicists fascinated by this spectacle. It contains an eclectic mix reflecting on new modes and advances as well as on permutations and combinations that revive mature themes. [...

A Complete Reporting of MCNP6 Validation Results for Electron Energy Deposition in Single-Layer Extended Media for Source Energies <= 1-MeV

Energy Technology Data Exchange (ETDEWEB)

Dixon, David A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hughes, Henry Grady [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-05-04

In this paper, we expand on previous validation work by Dixon and Hughes. That is, we present a more complete suite of validation results with respect to to the well-known Lockwood energy deposition experiment. Lockwood et al. measured energy deposition in materials including beryllium, carbon, aluminum, iron, copper, molybdenum, tantalum, and uranium, for both single- and multi-layer 1-D geometries. Source configurations included mono-energetic, mono-directional electron beams with energies of 0.05-MeV, 0.1-MeV, 0.3- MeV, 0.5-MeV, and 1-MeV, in both normal and off-normal angles of incidence. These experiments are particularly valuable for validating electron transport codes, because they are closely represented by simulating pencil beams incident on 1-D semi-infinite slabs with and without material interfaces. Herein, we include total energy deposition and energy deposition profiles for the single-layer experiments reported by Lockwood et al. (a more complete multi-layer validation will follow in another report).

Time-resolved FTIR emission studies of laser photofragmentation and radical reactions

Energy Technology Data Exchange (ETDEWEB)

Leone, S.R. [Univ. of Colorado, Boulder (United States)

1993-12-01

Recent studies have focused specifically on collision processes, such as single collision energy transfer, reaction dynamics, and radical reactions. The authors employ novel FTIR techniques in the study of single collision energy transfer processes using translationally fast H atom, as well as radical-radical reactions, e.g. CH{sub 3} + O, CF{sub 3} + H(D), and Cl + C{sub 2}H{sub 5}. The fast atoms permit unique high energy regions of certain transition states of combustion species to be probed for the first time.

Lateral particle density reconstruction from the energy deposits of particles in the KASCADE-Grande detector stations

International Nuclear Information System (INIS)

Toma, G.; Brancus, I.M.; Mitrica, B.; Sima, O.; Rebel, H.

2005-01-01

The study of primary cosmic rays with energies greater than 10 14 eV is done mostly by indirect observation techniques such as the study of Extensive Air Showers (EAS). In the much larger framework effort of inferring data on the mass and energy of the primaries from EAS observables, the present study aims at delivering a versatile method and software tool that will be used to reconstruct lateral particle densities from the energy deposits of particles in the KASCADE-Grande detector stations. The study has been performed on simulated events, by taking into account the interaction of the EAS components with the detector array (energy deposits). The energy deposits have been parametrized for different incident energies and angles. Thus it is possible to reconstruct the particle densities in detectors from the energy deposits. A correlation between lateral particle density and primary mass and primary energy (at ∼ 600 m from shower core) has been established. The study puts great emphasis on the quality of reconstruction and also on the speed of the technique. The data obtained from the study on simulated events will be used soon on real events detected by the KASCADE-Grande array. (authors)

Geoscientists and the Radical Middle

Science.gov (United States)

Tinker, S. W.

2015-12-01

Addressing the great challenges facing society requires industry, government, and academia to work together. I call this overlap space, where compromises are made and real solutions determined, the Radical Middle. Radical because it can appear at times as if the loudest and most publicly influential voices lie outside of the actual solution space, content to provoke but not problem-solve. One key area where geoscientists can play a lead role in the Radical Middle is in the overlap between energy, the environment, and the economy. Globally, fossil fuels still represent 85% of the aggregate energy mix. As existing conventional oil and natural-gas reservoir production continues to slowly decline, unconventional reservoirs, led today by shale and other more expensive resources, will represent a growing part of the oil and gas production mix. Many of these unconventional reservoirs require hydraulic fracturing. The positive economic impact of hydraulic fracturing and associated natural gas and oil production on the United States economy is well documented and undeniable. Yet there are environmental concerns about fracking, and some states and nations have imposed moratoria. This energy-environment-economy space is ideal for leadership from the geosciences. Another such overlap space is the potential for geoscience leadership in relations with China, whose economy and global presence continue to expand. Although China is building major hydropower and natural-gas power plants, as well as nuclear reactors, coal is still king—with the associated environmental impacts. Carbon sequestration—onshore in brine and to enhance oil recovery, as well as offshore—could prove viable. It is vital that educated and objective geoscientists from industry, government, and academia leave their corners and work together in the Radical Middle to educate the public and develop and deliver balanced, economically sensible energy and environmental strategies.

The Analytical Potential Energy Function of NH Radical Molecule in External Electric Field

International Nuclear Information System (INIS)

Wu Dong-Lan; Tan Bin; Wan Hui-Jun; Xie An-Dong; Ding Da-Jun

2015-01-01

The geometric structures of an NH radical in different external electric fields are optimized by using the density functional B3P86/cc-PV5Z method, and the bond lengths, dipole moments, vibration frequencies and IR spectrum are obtained. The potential energy curves are gained by the CCSD (T) method with the same basis set. These results indicate that the physical property parameters and potential energy curves may change with the external electric field, especially in the reverse direction electric field. The potential energy function of zero field is fitted by the Morse potential, and the fitting parameters are in good accordance with the experimental data. The potential energy functions of different external electric fields are fitted adopting the constructed potential model. The fitted critical dissociation electric parameters are shown to be consistent with the numerical calculation, and the relative errors are only 0.27% and 6.61%, hence the constructed model is reliable and accurate. The present results provide an important reference for further study of the molecular spectrum, dynamics and molecular cooling with Stark effect. (paper)

High energy ion range and deposited energy calculation using the Boltzmann-Fokker-Planck splitting of the Boltzmann transport equation

International Nuclear Information System (INIS)

Mozolevski, I.E.

2001-01-01

We consider the splitting of the straight-ahead Boltzmann transport equation in the Boltzmann-Fokker-Planck equation, decomposing the differential cross-section into a singular part, corresponding to small energy transfer events, and in a regular one, which corresponds to large energy transfer. The convergence of implantation profile, nuclear and electronic energy depositions, calculated from the Boltzmann-Fokker-Planck equation, to the respective exact distributions, calculated from Monte-Carlo method, was exanimate in a large-energy interval for various values of splitting parameter and for different ion-target mass relations. It is shown that for the universal potential there exists an optimal value of splitting parameter, for which range and deposited energy distributions, calculated from the Boltzmann-Fokker-Planck equation, accurately approximate the exact distributions and which minimizes the computational expenses

Interaction region design driven by energy deposition

Directory of Open Access Journals (Sweden)

Roman Martin

2017-08-01

Full Text Available The European Strategy Group for High Energy Physics recommends to study collider designs for the post-LHC era. Among the suggested projects there is the circular 100 TeV proton-proton collider FCC-hh. Starting from LHC and its proposed upgrade HL-LHC, this paper outlines the development of the interaction region design for FCC-hh. We identify energy deposition from debris of the collision events as a driving factor for the layout and draft the guiding principles to unify protection of the superconducting final focus magnets from radiation with a high luminosity performance. Furthermore, we offer a novel strategy to mitigate the lifetime limitation of the first final focus magnet due to radiation load, the Q1 split.

Characteristics of toroidal energy deposition asymmetries in ASDEX

International Nuclear Information System (INIS)

Evans, T.E.; Neuhauser, J.; Leuterer, F.; Mueller, E.R.

1990-01-01

Large toroidal and poloidal asymmetries with characteristics which are sensitively dependent on q a , the vertical position of the plasma, and the type of additional heating are observed in the energy flow to the ASDEX divertor target plates. The largest asymmetries and total energy depositions are observed during lower hybrid wave injection experiments with approximately 50% of the input energy going to the combined divertor targets and shields. A maximum localized energy density loading of 10 MJ/m 2 is typical under these conditions. Measurements of the asymmetries are consistent with a model in which magnetic islands and ergodicity due to intrinsic magnetic perturbations dominate the energy transpot across the primary magnetic separatrix. The results emphasize the essential role of resonant magnetic perturbations in determining the performance of tokamaks and demonstrate that non-axisymmetric effects caused by small perturbations become increasingly important in determining the transport properties as the injected power is increased. (orig.)

Stabilizing laser energy density on a target during pulsed laser deposition of thin films

Science.gov (United States)

Dowden, Paul C.; Jia, Quanxi

2016-05-31

A process for stabilizing laser energy density on a target surface during pulsed laser deposition of thin films controls the focused laser spot on the target. The process involves imaging an image-aperture positioned in the beamline. This eliminates changes in the beam dimensions of the laser. A continuously variable attenuator located in between the output of the laser and the imaged image-aperture adjusts the energy to a desired level by running the laser in a "constant voltage" mode. The process provides reproducibility and controllability for deposition of electronic thin films by pulsed laser deposition.

Radical fashion and radical fashion innovation

NARCIS (Netherlands)

Zhang, D.; Benedetto, Di A.C.

2010-01-01

This is a study of the related concepts of radical fashion and radical fashion innovation. Radical fashions are defined here as those that may never enter the market at all, and exist primarily on runway shows, in exhibitions and in publicity; by contrast, radical fashion innovations may be very

Dynamic energy spectrum and energy deposition in solid target by intense pulsed ion beams

Institute of Scientific and Technical Information of China (English)

Xiao Yu; Xiao-Yun Le; Zheng Liu; Jie Shen; Yu I.Isakova; Hao-Wen Zhong; Jie Zhang; Sha Yan; Gao-Long Zhang; Xiao-Fu Zhang

2017-01-01

A method for analyzing the dynamic energy spectrum of intense pulsed ion beam (IPIB) was proposed.Its influence on beam energy deposition in metal target was studied with IPIB produced by two types of magnetically insulated diodes (MID).The emission of IPIB was described with space charge limitation model,and the dynamic energy spectrum was further analyzed with time-of-flight method.IPIBs generated by pulsed accelerators of BIPPAB-450 (active MID) and TEMP-4M (passive MID) were studied.The dynamic energy spectrum was used to deduce the power density distribution of IPIB in the target with Monte Carlo simulation and infrared imaging diagnostics.The effect on the distribution and evolution of thermal field induced by the characteristics of IPIB dynamic energy spectrum was discussed.

Photodissociation of anisole and absolute photoionization cross-section of the phenoxy radical.

Science.gov (United States)

Xu, Hong; Pratt, S T

2013-11-21

We have studied the photodissociation dynamics of anisole (C6H5OCH3) at 193 nm and determined the absolute photoionization cross-section of the phenoxy radical at 118.2 nm (10.486 eV) relative to the known cross-section of the methyl radical. Even at this energy, there is extensive fragmentation of the phenoxy radical upon photoionization, which is attributed to ionizing transitions that populate low-lying excited electronic states of the cation. For phenoxy radicals with less than ∼1 eV of internal energy, we find a cross-section for the production of the phenoxy cation of 14.8 ± 3.8 Mb. For radicals with higher internal energy, dissociative ionization is the dominant process, and for internal energies of ∼2.7-3.7 eV, we find a total cross-section (photoionization plus dissociative ionization) of 22.3 ± 4.1 Mb. The results are discussed relative to the recently reported photoionization cross-section of phenol.

Simulation calculation for the energy deposition profile and the transmission fraction of intense pulsed electron beam at various incident angles

International Nuclear Information System (INIS)

Yang Hailiang; Qiu Aici; Zhang Jiasheng; Huang Jianjun; Sun Jianfeng

2002-01-01

The incident angles have a heavy effect on the intense pulsed electron beam energy deposition profile, energy deposition fraction and beam current transmission fraction in material. The author presents electron beam energy deposition profile and energy deposition fraction versus electron energy (0.5-2.0 MeV), at various incident angles for three aluminum targets of various thickness via theoretical calculation. The intense pulsed electron beam current transmission fractions versus electron energy (0.4-1.4 MeV) at various incident angles for three thickness of carbon targets were also theoretically calculated. The calculation results indicate that the deposition energy in unit mass of material surface layer increase with the rise of electron beam incident angle, and electron beam with low incident angle (closer to normal incident angle) penetrates deeper into the target material. The electron beams deposit more energy in unit mass of material surface layer at 60 degree-70 degree incident angle

Increased recombination of CH3 radicals on stainless steel

International Nuclear Information System (INIS)

Gorodetsky, A.E.; Zalavutdinov, R.Kh.; Zakharov, A.P.; Vnukov, S.P.; Varshavskaya, I.G.; Makhankov, A.N.; Mazul, I.V.; Federici, G.

2005-01-01

By using a so-called 'stream technique', which consists of flowing gas in laminar regime along a quartz tube, we determine that CH 3 radicals are completely removed from the pumped mixture (CH 4 /C X H Y /H 2 /H/CH 3 ) after several hundred collisions with the inner surface of a stainless steel insert (T = 380-470 K). The methyl sticking coefficient decreased to ∼10 -6 and the recombination coefficient increased up to ∼0.01 at impingement with the metal surface. After passing through the heated zone no hydrocarbon deposition occurred at 300 K. However, unsaturated hydrocarbons, which formed in discharge zone and appeared as a result of interaction of radicals with stainless steel, condensed in a liquid phase at a temperature of ∼130 K and partial pressure of 0.01-0.1 Pa. Liquid films underwent partial polymerization and formed island deposits, which were stable at 300 K

Visible light activity of pulsed layer deposited BiVO{sub 4}/MnO{sub 2} films decorated with gold nanoparticles: The evidence for hydroxyl radicals formation

Energy Technology Data Exchange (ETDEWEB)

Trzciński, Konrad, E-mail: trzcinskikonrad@gmail.com [Faculty of Chemistry, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk (Poland); Szkoda, Mariusz [Faculty of Chemistry, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk (Poland); Sawczak, Mirosław [Centre for Plasma and Laser Engineering, The Szewalski Institute of Fluid Flow Machinery, Fiszera 14, 80-231 Gdansk (Poland); Karczewski, Jakub [Faculty of Applied Physics and Mathematics, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk (Poland); Lisowska-Oleksiak, Anna [Faculty of Chemistry, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk (Poland)

2016-11-01

Highlights: • The BiVO{sub 4} + MnO{sub 2} photoactive layers were prepared by pulsed laser deposition method. • Prepared layers can act as photoanodes for water splitting. • The thin BiVO{sub 4} + MnO{sub 2} film can be used as photocatalyst for methylene blue degradation. • The formation of hydroxyl radicals during photocatalys illumination has been proved. • The dropcasted GNP improved significantly photocatalytic properties of tested layers. - Abstract: Thin films containing BiVO{sub 4} and MnO{sub 2} deposited on FTO and modified by Au nanoparticles were studied towards their photoelectrochemical and photocatalytical activities in an aqueous electrolyte. Electrodes were prepared by the pulsed laser deposition (PLD) method. The surfactant-free ablation process was used for preparation of the gold nanoparticles (GNP) water suspension. Obtained layers of varied thicknesses (27–115 nm) were characterized using Raman spectroscopy, UV–vis spectroscopy and scanning electron microscopy. Electrochemical methods such as electrochemical impedance spectroscopy, linear voltammetry and chronoamperometry under visible light illumination and in the dark were applied to characterize layers as photoanodes. Simple modification of the BiVO{sub 4} + MnO{sub 2} layer by drop-casting of small amount of colloidal gold (1.5 × 10{sup −14} mol of GNP on 1 cm{sup 2}) leads to enhancement of the generated photocurrent recorded at E = 0.5 V vs. Ag/AgCl (0.1 M KCl) from 63 μA/cm{sup 2} to 280 μA/cm{sup 2}. Photocatalytical studies were also exploited towards decomposition of methylene blue (MB). A possible mechanism of MB photodegradation was proposed. The formation of hydroxyl radicals was detected by photoluminescence spectra using terephthalic acid as the probe molecule.

Effects of gas residence time of CH4/H2 on sp2 fraction of amorphous carbon films and dissociated methyl density during radical-injection plasma-enhanced chemical vapor deposition

Science.gov (United States)

Sugiura, Hirotsugu; Jia, Lingyun; Kondo, Hiroki; Ishikawa, Kenji; Tsutsumi, Takayoshi; Hayashi, Toshio; Takeda, Keigo; Sekine, Makoto; Hori, Masaru

2018-06-01

Quadruple mass spectrometric measurements of CH3 density during radical-injection plasma-enhanced chemical vapor deposition to consider the sp2 fraction of amorphous carbon (a-C) films were performed. The sp2 fraction of the a-C films reached a minimum of 46%, where the CH3 density was maximum for a residence time of 6 ms. The sp2 fraction of the a-C films was tailored with the gaseous phase CH3 density during the deposition. This knowledge is useful for understanding the formation mechanism of bonding structures in the a-C films, which enables the precise control of their electronic properties.

Risk assessment from heterogeneous energy deposition in tissue, the problem of effects from low doses of ionizing radiation

International Nuclear Information System (INIS)

Feinendegen, L.E.; Booz, J.

1992-01-01

Low doses of ionizing radiation from external or internal sources cause heterogeneous distribution of energy deposition events in the exposed biological system. With the cell being the individual element of the tissue system, the fraction of cells hit, the dose received by the hit, and the biological response of the cell to the dose received eventually determine the effect in tissue. The hit cell may experience detriment, such as change in its DNA leading to a malignant transformation, or it may derive benefit in terms of an adaptive response such as a temporary improvement of DNA repair or temporary prevention of effects from intracellular radicals through enhanced radical detoxification. These responses are protective also to toxic substances that are generated during normal metabolism. Within a multicellular system the probability of detriment must be weighed against the probability of benefit through adaptive responses with protection against various toxic agents including those produced by normal metabolism. Because irradiation can principally induce both, detriment and adaptive responses, one type of affected cells may not be simply summed up at the expense of cells with other types of effects, in assessing risk to tissue. An inventory of various types of effects in the blood-forming system of mammals, even with large ranges of uncertainty, uncovers the possibility of benefit to the system from exposure to low doses of low-LET radiation. This experimental approach may complement epidemiological data on individuals exposed to low doses of ionizing radiation and may lead to a more rational appraisal of risk

Solar Energy Deposition Rates in the Mesosphere Derived from Airglow Measurements: Implications for the Ozone Model Deficit Problem

Science.gov (United States)

Mlynczak, Martin G.; Garcia, Rolando R.; Roble, Raymond G.; Hagan, Maura

2000-01-01

We derive rates of energy deposition in the mesosphere due to the absorption of solar ultraviolet radiation by ozone. The rates are derived directly from measurements of the 1.27-microns oxygen dayglow emission, independent of knowledge of the ozone abundance, the ozone absorption cross sections, and the ultraviolet solar irradiance in the ozone Hartley band. Fifty-six months of airglow data taken between 1982 and 1986 by the near-infrared spectrometer on the Solar-Mesosphere Explorer satellite are analyzed. The energy deposition rates exhibit altitude-dependent annual and semi-annual variations. We also find a positive correlation between temperatures and energy deposition rates near 90 km at low latitudes. This correlation is largely due to the semiannual oscillation in temperature and ozone and is consistent with model calculations. There is also a suggestion of possible tidal enhancement of this correlation based on recent theoretical and observational analyses. The airglow-derived rates of energy deposition are then compared with those computed by multidimensional numerical models. The observed and modeled deposition rates typically agree to within 20%. This agreement in energy deposition rates implies the same agreement exists between measured and modeled ozone volume mixing ratios in the mesosphere. Only in the upper mesosphere at midlatitudes during winter do we derive energy deposition rates (and hence ozone mixing ratios) consistently and significantly larger than the model calculations. This result is contrary to previous studies that have shown a large model deficit in the ozone abundance throughout the mesosphere. The climatology of solar energy deposition and heating presented in this paper is available to the community at the Middle Atmosphere Energy Budget Project web site at http://heat-budget.gats-inc.com.

Influence of emitter temperature on the energy deposition in a low-pressure plasma

International Nuclear Information System (INIS)

Levko, Dmitry; Raja, Laxminarayan L.

2016-01-01

The influence of emitter temperature on the energy deposition into low-pressure plasma is studied by the self-consistent one-dimensional Particle-in-Cell Monte Carlo Collisions model. Depending on the emitter temperature, different modes of discharge operation are obtained. The mode type depends on the plasma frequency and does not depend on the ratio between the densities of beam and plasma electrons. Namely, plasma is stable when the plasma frequency is small. For this plasma, the energy transfer from emitted electrons to plasma electrons is inefficient. The increase in the plasma frequency results first in the excitation of two-stream electron instability. However, since the thermal velocity of plasma electrons is smaller than the electrostatic wave velocity, the resonant wave-particle interaction is inefficient for the energy deposition into the plasma. Further increase in the plasma frequency leads to the distortion of beam of emitted electrons. Then, the electrostatic wave generated due to two-stream instability decays into multiple slower waves. Phase velocities of these waves are comparable with the thermal velocity of plasma electrons which makes possible the resonant wave-particle interaction. This results in the efficient energy deposition from emitted electrons into the plasma.

Early events following radiolytic and photogeneration of radical cations in hydrocarbons

International Nuclear Information System (INIS)

Werst, D.W.; Trifunac, A.D.

1992-01-01

Real-time studies in hydrocarbons have revealed a richness of chemistry involving the initial ionic species produced in radiolysis and photoionization. A modified radical cation mechanism patterned after the core mechanism for alkane radiolysis-formation of radical cations and their disappearance via ion-molecule reactions - is capable of explaining a wide range of observations in high-energy photochemistry, and thus unifies two high-energy regimes. Fundamental studies of radical cations suggest strategies for mitigating radiation effects in materials

Numerical Simulation of Radial and Angular Distribution of γ-Ray's Energy Deposition in Scintillation Optical Fibre

International Nuclear Information System (INIS)

Tang Shibiao; Yin Zejie; Tang Yu; Huang Huan

2006-01-01

Angular and radial distributions of the energy deposition of γ-ray radiation in scintillation optical fibres are simulated and analysed using the Geant4 system. The results show a linear relation between the energy deposition and the radius of the fibres. The deposition is roughly inversely proportional to sinθ with θ the incident angle relative to the fibre axis. The results could provide corrections to the measurements of the scintillation fibres used in monitoring the γ-ray radiation

Free radicals in dicarboxylic acids: an e.s.r. study of radical conversions in γ-irradiated single crystals of glutaric acid and glutaric-2,2,4,4-d4 acid

International Nuclear Information System (INIS)

Bergene, R.; Minegishi, A.; Riesz, P.

1980-01-01

The γ-radiation-induced free radicals in single crystals of glutaric acid and glutaric-2,2,4,4-d 4 acid were studied in the temperature range 77-300 K by e.s.r. techniques. At 77 K the decarboxylation radical and the anion are stabilized. At higher temperatures the decarboxylation radical is found to be converted into a hydrogen abstraction radical with an activation energy of 6.3 +- 0.5 kcal/mole for the non-deuterated crystal. This radical is stable at room temperature. The anion seems to be converted to a unidentified intermediate radical which in turn is converted to the σ-acyl radical. An analysis of the g-value anisotropy and of the 13 C hyperfine splitting variation for this radical in the deuterated crystal is consistent with the assigned radical structure. By heat treatment the σ-acyl radical is converted to another form of the hydrogen abstraction radical with an activation energy of 9.6 +- 0.6 kcal/mole in the deuterated crystal. U.V.-light (lambda= 254 nm) transforms one of the room temperature radicals into the other. (author)

Monte Carlo simulations used to calculate the energy deposited in the coronary artery lumen as a function of iodine concentration and photon energy.

Science.gov (United States)

Hocine, Nora; Meignan, Michel; Masset, Hélène

2018-04-01

To better understand the risks of cumulative medical X-ray investigations and the possible causal role of contrast agent on the coronary artery wall, the correlation between iodinated contrast media and the increase of energy deposited in the coronary artery lumen as a function of iodine concentration and photon energy is investigated. The calculations of energy deposition have been performed using Monte Carlo (MC) simulation codes, namely PENetration and Energy LOss of Positrons and Electrons (PENELOPE) and Monte Carlo N-Particle eXtended (MCNPX). Exposure of a cylinder phantom, artery and a metal stent (AISI 316L) to several X-ray photon beams were simulated. For the energies used in cardiac imaging the energy deposited in the coronary artery lumen increases with the quantity of iodine. Monte Carlo calculations indicate a strong dependence of the energy enhancement factor (EEF) on photon energy and iodine concentration. The maximum value of EEF is equal to 25; this factor is showed for 83 keV and for 400 mg Iodine/mL. No significant impact of the stent is observed on the absorbed dose in the artery for incident X-ray beams with mean energies of 44, 48, 52 and 55 keV. A strong correlation was shown between the increase in the concentration of iodine and the energy deposited in the coronary artery lumen for the energies used in cardiac imaging and over the energy range between 44 and 55 keV. The data provided by this study could be useful for creating new medical imaging protocols to obtain better diagnostic information with a lower level of radiation exposure.

Energy deposition evaluation for ultra-low energy electron beam irradiation systems using calibrated thin radiochromic film and Monte Carlo simulations

Energy Technology Data Exchange (ETDEWEB)

Matsui, S., E-mail: smatsui@gpi.ac.jp; Mori, Y. [The Graduate School for the Creation of New Photonics Industries, 1955-1 Kurematsucho, Nishiku, Hamamatsu, Shizuoka 431-1202 (Japan); Nonaka, T.; Hattori, T.; Kasamatsu, Y.; Haraguchi, D.; Watanabe, Y.; Uchiyama, K.; Ishikawa, M. [Hamamatsu Photonics K.K. Electron Tube Division, 314-5 Shimokanzo, Iwata, Shizuoka 438-0193 (Japan)

2016-05-15

For evaluation of on-site dosimetry and process design in industrial use of ultra-low energy electron beam (ULEB) processes, we evaluate the energy deposition using a thin radiochromic film and a Monte Carlo simulation. The response of film dosimeter was calibrated using a high energy electron beam with an acceleration voltage of 2 MV and alanine dosimeters with uncertainty of 11% at coverage factor 2. Using this response function, the results of absorbed dose measurements for ULEB were evaluated from 10 kGy to 100 kGy as a relative dose. The deviation between the responses of deposit energy on the films and Monte Carlo simulations was within 15%. As far as this limitation, relative dose estimation using thin film dosimeters with response function obtained by high energy electron irradiation and simulation results is effective for ULEB irradiation processes management.

The penetration, diffusion and energy deposition of high-energy photon in layered media

International Nuclear Information System (INIS)

Zhengming, Luo; Chengjun, Gou; Laub, Wolfram

2002-01-01

This paper presents a new theory for calculating the transport of high-energy photons and their secondary charged particles. We call this new algorithm characteristic line method, which is completely analytic. Using this new method we can not only accurately calculate the transport behavior of energetic photons, but also precisely describes the transport behavior and energy deposition of secondary electrons, photoelectrons, Compton recoil electrons and positron-electron pairs. Its calculation efficiency is much higher than the Monte Carlo method's. The theory can be directly applied to layered media situation and obtain a pencil-beam-modeled solution. Therefore, it may be applied to clinical applications for radiation therapy

Stopping and energy deposition of hadrons in target nuclei

International Nuclear Information System (INIS)

Strugalski, Z.

1983-01-01

In an analysis of pion-xenon nucleus collisions at 2.34-9 GeV/c momentum events are identified in which incident pions were completely stopped and deposited their energy in target nucleus. Probability of appearance of such ''stopped'' events among any-type pion-xenon collision events depends on the incident pion momentum and is: approximately 0.15 at 2.34 GeV/c, approximately 0.02 at 3.5 GeV/c, and approximately 0 at higher momenta. Formula expressing probability of appearance of the ''stopped'' events is derived. Range-energy relation in nuclear matter for pions and protons is given

Introducing Stable Radicals into Molecular Machines.

Science.gov (United States)

Wang, Yuping; Frasconi, Marco; Stoddart, J Fraser

2017-09-27

Ever since their discovery, stable organic radicals have received considerable attention from chemists because of their unique optical, electronic, and magnetic properties. Currently, one of the most appealing challenges for the chemical community is to develop sophisticated artificial molecular machines that can do work by consuming external energy, after the manner of motor proteins. In this context, radical-pairing interactions are important in addressing the challenge: they not only provide supramolecular assistance in the synthesis of molecular machines but also open the door to developing multifunctional systems relying on the various properties of the radical species. In this Outlook, by taking the radical cationic state of 1,1'-dialkyl-4,4'-bipyridinium (BIPY •+ ) as an example, we highlight our research on the art and science of introducing radical-pairing interactions into functional systems, from prototypical molecular switches to complex molecular machines, followed by a discussion of the (i) limitations of the current systems and (ii) future research directions for designing BIPY •+ -based molecular machines with useful functions.

Inter-comparison of MARS and FLUKA: Predictions on Energy Deposition in LHC IR Quadrupoles

CERN Document Server

Hoa, C; Cerutti, F; Ferrai, A

2008-01-01

Detailed modellings of the LHC insertion regions (IR) have earlier been performed to evaluate energy deposition in the IR superconducting magnets [1-4]. Proton-proton collisions at 14 TeV in the centre of mass lead to debris, depositing energy in the IR components. To evaluate uncertainties in those simulations and gain further confidence in the tools and approaches used, inter-comparison calculations have been performed with the latest versions of the FLUKA (2006.3b) [5, 6] and MARS15 [7, 8] Monte Carlo codes. These two codes, used worldwide for multi particle interaction and transport in accelerator, detector and shielding components, have been thoroughly benchmarked by the code authors and the user community (see, for example, recent [9, 10]). In the study described below, a better than 5% agreement was obtained for energy deposition calculated with these two codes - based on different independent physics models - for the identical geometry and initial conditions of a simple model representing the IR5 and ...

Inter-comparison of MARS and FLUKA: Predictions on energy deposition in LHC IR quadrupoles

International Nuclear Information System (INIS)

Hoa, Christine; Cerutti, F.; Ferrari, A.; Mokhov, N.V.

2008-01-01

Detailed modelings of the LHC insertion regions (IR) have earlier been performed to evaluate energy deposition in the IR superconducting magnets [1-4]. Proton-proton collisions at 14 TeV in the centre of mass lead to debris, depositing energy in the IR components. To evaluate uncertainties in those simulations and gain further confidence in the tools and approaches used, inter-comparison calculations have been performed with the latest versions of the FLUKA (2006.3b) [5, 6] and MARS15 [7, 8] Monte Carlo codes. These two codes, used worldwide for multi particle interaction and transport in accelerator, detector and shielding components, have been thoroughly benchmarked by the code authors and the user community (see, for example, recent [9, 10]). In the study described below, a better than 5% agreement was obtained for energy deposition calculated with these two codes--based on different independent physics models--for the identical geometry and initial conditions of a simple model representing the IR5 and its first quadrupole

Radicals derived from acetaldehyde and vinyl alcohol.

Science.gov (United States)

Estep, Marissa L; Morgan, W James; Winkles, Alexander T; Abbott, Adam S; Villegas-Escobar, Nery; Mullinax, J Wayne; Turner, Walter E; Wang, Xiao; Turney, Justin M; Schaefer, Henry F

2017-10-18

Vinyl alcohol and acetaldehyde are isoelectronic products of incomplete butanol combustion. Along with the radicals resulting from the removal of atomic hydrogen or the hydroxyl radical, these species are studied here using ab initio methods as complete as coupled cluster theory with single, double, triple, and perturbative quadruple excitations [CCSDT(Q)], with basis sets as large as cc-pV5Z. The relative energies provided herein are further refined by including corrections for relativistic effects, the frozen core approximation, and the Born-Oppenheimer approximation. The effects of anharmonic zero-point vibrational energies are also treated. The syn conformer of vinyl alcohol is predicted to be lower in energy than the anti conformer by 1.1 kcal mol -1 . The alcoholic hydrogen of syn-vinyl alcohol is found to be the easiest to remove, requiring 84.4 kcal mol -1 . Five other radicals are also carefully considered, with four conformers investigated for the 1-hydroxyvinyl radical. Beyond energetics, we have conducted an overhaul of the spectroscopic literature for these species. Our results also provide predictions for fundamental modes yet to be reported experimentally. To our knowledge, the ν 3 (3076 cm -1 ) and ν 4 (2999 cm -1 ) C-H stretches for syn-vinyl alcohol and all but one of the vibrational modes for anti-vinyl alcohol (ν 1 -ν 14 ) are yet to be observed experimentally. For the acetyl radical, ν 6 (1035 cm -1 ), ν 11 (944 cm -1 ), ν 12 (97 cm -1 ), and accounting for our changes to the assignment of the 1419.9 cm -1 experimental mode, ν 10 (1441 cm -1 ), are yet to be observed. We have predicted these unobserved fundamentals and reassigned the experimental 1419.9 cm -1 frequency in the acetyl radical to ν 4 rather than to ν 10 . Our work also strongly supports reassignment of the ν 10 and ν 11 fundamentals of the vinoxy radical. We suggest that the bands assigned to the overtones of these fundamentals were in fact combination bands. Our

Electron energy deposition in a multilayered carbon--uranium--carbon configuration and in semi-infinite uranium

International Nuclear Information System (INIS)

Lockwood, G.J.; Miller, G.H.; Halbleib, J.A. Sr.

1977-10-01

Absolute measurements of electron energy deposition profiles are reported here for electrons incident on the multilayer configuration of carbon-uranium-carbon. These measurements were for normally incident source electrons at an energy of 1.0 MeV. To complement these measurements, electron energy deposition profiles were also obtained for electrons incident on semi-infinite uranium as a function of energy and angle of incidence. The results are compared with the predictions of a coupled electron/photon Monte Carlo transport model. In general, the agreement between theory and experiment is good. This work was in support of the Reactor Safety Research Equation-of-State Program

Evaluation of burnup characteristics and energy deposition during NSRR pulse irradiation tests on irradiated BWR fuels

International Nuclear Information System (INIS)

Nakamura, Takehiko; Yoshinaga, Makio

2000-11-01

Pulse irradiation tests of irradiated fuel are performed in the Nuclear Safety Research Reactor (NSRR) to investigate the fuel behavior under Reactivity Initiated Accident Conditions (RIA). The severity of the RIA is represented by energy deposition or peak fuel enthalpy during the power excursion. In case of the irradiated fuel tests, the energy deposition varies depending both on the amounts and distribution of residual fissile and neutron absorbing fission products generated during the base irradiation. Thus, proper fuel burnup characterization, especially for low enriched commercial fuels, is important, because plutonium (Pu) takes a large part of fissile and its generation depends on the neutron spectrum during the base irradiation. Fuel burnup calculations were conducted with ORIGEN2, RODBURN and SWAT codes for the BWR fuels tested in the NSRR. The calculation results were compared with the measured isotope concentrations and used for the NSRR neutron calculations to evaluate energy depositions of the test fuel. The comparison of the code calculations and the measurements revealed that the neutron spectrum change due to difference in void fraction altered Pu generation and energy deposition in the NSRR tests considerably. With the properly evaluated neutron spectrum, the combined burnup and NSRR neutron calculation gave reasonably good evaluation of the energy deposition. The calculations provided radial distributions of the fission product accumulation during the base irradiation and power distribution during the NSRR pulse irradiation, which were important for the evaluation of both burnup characteristics and fission gas release behavior. (author)

Dual-energy CT (DECT) imaging of tophi and monosodium urate deposits in a patient with longstanding anorexia nervosa

DEFF Research Database (Denmark)

Weihe, Johan Petur; Birger Morillon, Melanie; Lambrechtsen, Jess

Dual-energy CT (DECT) imaging of tophi and monosodium urate deposits in a patient with longstanding anorexia nervosa......Dual-energy CT (DECT) imaging of tophi and monosodium urate deposits in a patient with longstanding anorexia nervosa...

Calorific energy deposited by gamma radiations in a test reactor. Calorimetric measurements and calculations

International Nuclear Information System (INIS)

Mecheri, K.-F.

1977-01-01

The purpose of this work was to determine the calorific energy deposited by gamma radiations in the experimental devices irradiated in the test reactors of the Grenoble Nuclear Study Centre. A theoretical study briefly recalls to mind the various sorts of nuclear reactions that occur in a reactor, from the special angle of their ability to deposit calorific energy in the materials. A special study with the help of a graphite calorimeter made it possible to show the possible effect of the various parameters intervening in this energy absorption: the nature of the materials, their geometry, the spectrum of the incident gamma rays and the fact that the variation of this spectrum is due to the position of the measuring point with respect to the reactor core or to the presence of structures around the measuring instrument. The results of the calculations made with the help of the Mercury IV and ANISN codes are compared with those of the determinations in order to ascertain that very are adapted to the forecasts of energy deposition in the various materials. The conclusion was reached that in order to calculate with accuracy the depositifs of gamma energy in the experimental devices, it is necessary either to introduce the build-up calculation for the low energy photons, in the Mercury IV calculation code or to associate the DOT code to the ANISN calculation code [fr

Energy deposition and the formation of biologically significant lesions by accelerated ions

International Nuclear Information System (INIS)

Kiefer, J.

1985-01-01

The assumption that the number of biologically significant lesions depends only on the amount of of energy absorbed in a critical cellular site is not able to explain the increase of RBE with LET and leads to large discrepancies between predicted and measured inactivation cross sections in the LET range between 20 and 200 keV.μm -1 . It has, therefore, to be concluded that not only the amount of energy absorbed but also the spatial pattern of this deposition plays a decisive role. In the model presented it is postulated that two or more energy deposition events in nanometre sites are required for the formation of biologically significant lesions. This cooperative action has to take place in very short times so that only interactions within a single particle track contribute. The mathematical treatment will be outlined and qualitatively shown that the model is able to predict RBE-LET relationships. The calculations use a track structure model based on classical collision mechanics. It is compared with existing experimental results showing good agreement at least for higher particle energies. (author)

Study of Energy Deposition and Activation for the LINAC4 Dump

CERN Document Server

Cerutti, F; Mauro, E; Mereghetti, A; Silari, M; CERN. Geneva. AB Department

2008-01-01

This document provides estimates of energy deposition and activation for the dump of the future LINAC4 accelerator. Detailed maps of power density deposited in the dump are given, allowing to perform further thermo mechanical studies. Residual dose rates at a few cooling times for different irradiation scenarios have been calculated. Moreover, the air activation has been evaluated and doses to the reference population group and to a worker intervening in the cave at the shutdown have been predicted. Calculations were performed with the Monte Carlo particle transport and interaction code FLUKA.

Modeling of the topology of energy deposits created by ionizing radiation on a nano-metric scale in cell nuclei in relation to radiation-induced early events

International Nuclear Information System (INIS)

Dos Santos, Morgane

2013-01-01

Ionizing radiations are known to induce critical damages on biological matter and especially on DNA. Among these damages, DNA double strand breaks (DSB) are considered as key precursor of lethal effects of ionizing radiations. Understand and predict how DNA double and simple strand breaks are created by ionizing radiation and repaired in cell nucleus is nowadays a major challenge in radiobiology research. This work presents the results on the simulation of the DNA double strand breaks produced from the energy deposited by the irradiation at the intracellular level. At the nano-metric scale, the only method to accurately simulate the topological details of energy deposited on the biological matter is the use of Monte Carlo codes. In this work, we used the Geant4 Monte Carlo code and, in particular, the low energy electromagnetic package extensions, referred as Geant4-DNA processes.In order to evaluate DNA radio-induced damages, the first objective of this work consisted in implementing a detailed geometry of the DNA on the Monte Carlo simulations. Two types of cell nuclei, representing a fibroblast and an endothelium, were described in order to evaluate the influence of the DNA density on the topology of the energy deposits contributing to strand breaks. Indeed, the implemented geometry allows the selection of energy transfer points that can lead to strand breaks because they are located on the backbone. Then, these energy transfer points were analysed with a clustering algorithm in order to reveal groups of aggregates and to study their location and complexity. In this work, only the physical interactions of ionizing radiations are simulated. Thus, it is not possible to achieve an absolute number of strand breaks as the creation and transportation of radical species which could lead to indirect DNA damages is not included. Nevertheless, the aim of this work was to evaluate the relative dependence of direct DNA damages with the DNA density, radiation quality, cell

Self-assembled organic radicals on Au(111) surfaces: a combined ToF-SIMS, STM, and ESR study.

Science.gov (United States)

Mannini, Matteo; Sorace, Lorenzo; Gorini, Lapo; Piras, Federica M; Caneschi, Andrea; Magnani, Agnese; Menichetti, Stefano; Gatteschi, Dante

2007-02-27

Electron spin resonance (ESR), time-of-flight secondary ion mass spectrometry (ToF-SIMS), and scanning tunneling microscopy (STM) have been used in parallel to characterize the deposition on gold surface of a series of nitronyl nitroxide radicals. These compounds have been specifically synthesized with methyl-thio linking groups suitable to interact with the gold surface to form self-assembled monolayers (SAMs), which can be considered relevant in the research for molecular-based spintronics devices, as suggested in recent papers. The degree of the expected ordering on the surface of these SAMs has been tuned by varying the chemical structure of synthesized radicals. ToF-SIMS has been used to support the evidence of the occurrence of the deposition process. STM has shown the different qualities of the obtained SAMs, with the degree of local order increasing as the degree of freedom of the molecules on the surface is decreased. Finally, ESR has confirmed that the deposition process does not affect the paramagnetic characteristics of radicals and that it affords a complete single-layered coverage of the surface. Further, the absence of angular dependence in the spectra indicates that the small regions of local ordering do not give rise to a long-range order and suggests a quite large mobility of the radical on the surface, probably due to the weak interaction with gold provided by the methyl-thio linking group.

Hydroxyl radical production in plasma electrolysis with KOH electrolyte solution

Energy Technology Data Exchange (ETDEWEB)

Saksono, Nelson; Febiyanti, Irine Ayu, E-mail: irine.ayu41@ui.ac.id; Utami, Nissa; Ibrahim [Department of Chemical Engineering, Universitas Indonesia, Depok 16424, Indonesia Phone: +62217863516, Fax: +62217863515 (Indonesia)

2015-12-29

Plasma electrolysis is an effective technology for producing hydroxyl radical (•OH). This method can be used for waste degradation process. This study was conducted to obtain the influence of applied voltage, electrolyte concentration, and anode depth in the plasma electrolysis system for producing hydroxyl radical. The materials of anode and cathode, respectively, were made from tungsten and stainless steel. KOH solution was used as the solution. Determination of hydroxyl radical production was done by measuring H{sub 2}O{sub 2} amount formed in plasma system using an iodometric titration method, while the electrical energy consumed was obtained by measuring the electrical current throughout the process. The highest hydroxyl radical production was 3.51 mmol reached with 237 kJ energy consumption in the power supply voltage 600 V, 0.02 M KOH, and 0.5 cm depth of anode.

Structure and Intramolecular Proton Transfer of Alanine Radical Cations

International Nuclear Information System (INIS)

Lee, Gab Yong

2012-01-01

The structures of the four lowest alanine conformers, along with their radical cations and the effect of ionization on the intramolecular proton transfer process, are studied using the density functional theory and MP2 method. The energy order of the radical cations of alanine differs from that of the corresponding neutral conformers due to changes in the basicity of the NH 2 group upon ionization. Ionization favors the intramolecular proton transfer process, leading to a proton-transferred radical-cation structure, [NH 3 + -CHCH 3 -COO·], which contrasts with the fact that a proton-transferred zwitterionic conformer is not stable for a neutral alanine in the gas phase. The energy barrier during the proton transfer process is calculated to be about 6 kcal/mol

Nanocomposite oxide thin films grown by pulsed energy beam deposition

International Nuclear Information System (INIS)

Nistor, M.; Petitmangin, A.; Hebert, C.; Seiler, W.

2011-01-01

Highly non-stoichiometric indium tin oxide (ITO) thin films were grown by pulsed energy beam deposition (pulsed laser deposition-PLD and pulsed electron beam deposition-PED) under low oxygen pressure. The analysis of the structure and electrical transport properties showed that ITO films with a large oxygen deficiency (more than 20%) are nanocomposite films with metallic (In, Sn) clusters embedded in a stoichiometric and crystalline oxide matrix. The presence of the metallic clusters induces specific transport properties, i.e. a metallic conductivity via percolation with a superconducting transition at low temperature (about 6 K) and the melting and freezing of the In-Sn clusters in the room temperature to 450 K range evidenced by large changes in resistivity and a hysteresis cycle. By controlling the oxygen deficiency and temperature during the growth, the transport and optical properties of the nanocomposite oxide films could be tuned from metallic-like to insulating and from transparent to absorbing films.

Atmospheric Energy Deposition Modeling and Inference for Varied Meteoroid Structures

Science.gov (United States)

Wheeler, Lorien; Mathias, Donovan; Stokan, Edward; Brown, Peter

2018-01-01

Asteroids populations are highly diverse, ranging from coherent monoliths to loosely-bound rubble piles with a broad range of material and compositional properties. These different structures and properties could significantly affect how an asteroid breaks up and deposits energy in the atmosphere, and how much ground damage may occur from resulting blast waves. We have previously developed a fragment-cloud model (FCM) for assessing the atmospheric breakup and energy deposition of asteroids striking Earth. The approach represents ranges of breakup characteristics by combining progressive fragmentation with releases of variable fractions of debris and larger discrete fragments. In this work, we have extended the FCM to also represent asteroids with varied initial structures, such as rubble piles or fractured bodies. We have used the extended FCM to model the Chelyabinsk, Benesov, Kosice, and Tagish Lake meteors, and have obtained excellent matches to energy deposition profiles derived from their light curves. These matches provide validation for the FCM approach, help guide further model refinements, and enable inferences about pre-entry structure and breakup behavior. Results highlight differences in the amount of small debris vs. discrete fragments in matching the various flare characteristics of each meteor. The Chelyabinsk flares were best represented using relatively high debris fractions, while Kosice and Benesov cases were more notably driven by their discrete fragmentation characteristics, perhaps indicating more cohesive initial structures. Tagish Lake exhibited a combination of these characteristics, with lower-debris fragmentation at high altitudes followed by sudden disintegration into small debris in the lower flares. Results from all cases also suggest that lower ablation coefficients and debris spread rates may be more appropriate for the way in which debris clouds are represented in FCM, offering an avenue for future model refinement.

Alkyl Radicals as Hydrogen Bond Acceptors: Computational Evidence

DEFF Research Database (Denmark)

Hammerum, Steen

2009-01-01

Spectroscopic, energetic and structural information obtained by DFT and G3-type computational studies demonstrates that charged proton donors can form moderately strong hydrogen bonds to simple alkyl radicals. The presence of these bonds stabilizes the adducts and modifies their structure......, and gives rise to pronounced shifts of IR stretching frequencies and to increased absorption intensities. The hydrogen bond acceptor properties of alkyl radicals equal those of many conventional acceptors, e.g., the bond length changes and IR red-shifts suggest that tert-butyl radicals are slightly better...... acceptors than formaldehyde molecules, while propyl radicals are as good as H2O. The hydrogen bond strength appears to depend on the proton affinity of the proton donor and on the ionization energy of the acceptor alkyl radical, not on the donor-acceptor proton affinity difference, reflecting...

Fast beam studies of free radical photodissociation

Energy Technology Data Exchange (ETDEWEB)

Cyr, Douglas Robert [Univ. of California, Berkeley, CA (United States)

1993-11-01

The photodissociation of free radicals is studied in order to characterize the spectroscopy and dissociation dynamics of the dissociative electronic states in these species. To accomplish this, a novel method of radical production, based on the photodetachment of the corresponding negative ion, has been combined with a highly complementary form of photofragment translational spectroscopy. The optical spectroscopy of transitions to dissociative states is determined by monitoring the total photofragment yield as a function of dissociation photon energy. Branching ratios to various product channels, internal energy distributions of the fragments, bond dissociation energies, and the translational energy-dependent photofragment recoil angular distributions are then determined at selected excitation energies. A detailed picture of the dissociation dynamics can then be formulated, allowing insight concerning the interactions of potential energy surfaces involved in the dissociation. After an introduction to the concepts and techniques mentioned above, the experimental apparatus used in these experiments is described in detail. The basis and methods used in the treatment of data, especially in the dissociation dynamics experiments, are then put forward.

Fast beam studies of free radical photodissociation

International Nuclear Information System (INIS)

Cyr, D.R.; California Univ., Berkeley, CA

1993-11-01

The photodissociation of free radicals is studied in order to characterize the spectroscopy and dissociation dynamics of the dissociative electronic states in these species. To accomplish this, a novel method of radical production, based on the photodetachment of the corresponding negative ion, has been combined with a highly complementary form of photofragment translational spectroscopy. The optical spectroscopy of transitions to dissociative states is determined by monitoring the total photofragment yield as a function of dissociation photon energy. Branching ratios to various product channels, internal energy distributions of the fragments, bond dissociation energies, and the translational energy-dependent photofragment recoil angular distributions are then determined at selected excitation energies. A detailed picture of the dissociation dynamics can then be formulated, allowing insight concerning the interactions of potential energy surfaces involved in the dissociation. After an introduction to the concepts and techniques mentioned above, the experimental apparatus used in these experiments is described in detail. The basis and methods used in the treatment of data, especially in the dissociation dynamics experiments, are then put forward

Climate change and radical energy innovation: the policy issues

Energy Technology Data Exchange (ETDEWEB)

Smith, Keith

2009-01-15

How can we sustain global economic performance while reducing and perhaps eliminating climate impacts? This dual objective ultimately requires the innovation of radically new low- or zero-emitting energy technologies. But what is involved in such innovation, and why and how should governments support it? What are the implications for innovation policy makers? The paper discusses the nature of the innovation challenge of climate change, develops a framework for analyzing modes of innovation, applies the framework to energy technologies and analyses policies for energy innovation. The overall argument is that we are 'locked in' to an unsustainable but large-scale hydrocarbon energy system. The innovation problem is to develop alternatives to this system as a whole. Yet despite widespread environmental innovation efforts and incentives, these are not yet addressing the innovation challenge on an adequate scale. The analytical framework sees technologies not as single techniques but as multi-faceted technological 'regimes'. Technological regimes comprise production systems and methods, scientific and engineering knowledge organization, infrastructures, and social patterns of technology use. We live not with individual energy technologies but with a complex hydrocarbon regime. Against this background we can identify three modes of innovation, with very different characteristics. They are; Incremental innovations - upgrades to existing technologies, producing innovation within existing technological regimes, such as increases in the capabilities and speeds of microprocessors; Disruptive innovations - new methods of performing existing technical functions, changing how things are done, but not changing the overall regime, such as the shift from film to digital imaging; Radical innovations - technological regime shifts, involving wholly new technical functions, new knowledge bases, and new organizational forms, such as the transition from steam power

Genetic Algorithm-Based Optimization to Match Asteroid Energy Deposition Curves

Science.gov (United States)

Tarano, Ana; Mathias, Donovan; Wheeler, Lorien; Close, Sigrid

2018-01-01

An asteroid entering Earth's atmosphere deposits energy along its path due to thermal ablation and dissipative forces that can be measured by ground-based and spaceborne instruments. Inference of pre-entry asteroid properties and characterization of the atmospheric breakup is facilitated by using an analytic fragment-cloud model (FCM) in conjunction with a Genetic Algorithm (GA). This optimization technique is used to inversely solve for the asteroid's entry properties, such as diameter, density, strength, velocity, entry angle, and strength scaling, from simulations using FCM. The previous parameters' fitness evaluation involves minimizing error to ascertain the best match between the physics-based calculated energy deposition and the observed meteors. This steady-state GA provided sets of solutions agreeing with literature, such as the meteor from Chelyabinsk, Russia in 2013 and Tagish Lake, Canada in 2000, which were used as case studies in order to validate the optimization routine. The assisted exploration and exploitation of this multi-dimensional search space enables inference and uncertainty analysis that can inform studies of near-Earth asteroids and consequently improve risk assessment.

Sugar Radical Formation by a Proton Coupled Hole Transfer in 2′-Deoxyguanosine Radical Cation (2′-dG•+): A Theoretical Treatment

Science.gov (United States)

Kumar, Anil; Sevilla, Michael D.

2009-01-01

Previous experimental and theoretical work has established that electronic excitation of a guanine cation radical in nucleosides or in DNA itself leads to sugar radical formation by deprotonation from the dexoxyribose sugar. In this work we investigate a ground electronic state pathway for such sugar radical formation in a hydrated one electron oxidized 2′-deoxyguanosine (dG•+ + 7H2O), using density functional theory (DFT) with the B3LYP functional and the 6-31G* basis set. We follow the stretching of the C5′-H bond in dG•+ to gain an understanding of the energy requirements to transfer the hole from the base to sugar ring and then to deprotonate to proton acceptor sites in solution and on the guanine ring. The geometries of reactant (dG•+ + 7H2O), transition state (TS) for deprotonation of C5′ site and product (dG(•C5′, N7-H+) + 7 H2O) were fully optimized. The zero point energy (ZPE) corrected activation energy (TS) for the proton transfer (PT) from C5′ is calculated to be 9.0 kcal/mol and is achieved by stretching the C5′-H bond by 0.13 Å from its equilibrium bond distance (1.099 Å). Remarkably, this small bond stretch is sufficient to transfer the “hole” (positive charge and spin) from guanine to the C5′ site on the deoxyribose group. Beyond the TS, the proton (H+) spontaneously adds to water to form a hydronium ion (H3O+) as an intermediate. The proton subsequently transfers to the N7 site of the guanine (product). The 9 kcal/mol barrier suggests slow thermal conversion of the cation radical to the sugar radical but also suggests that localized vibrational excitations would be sufficient to induce rapid sugar radical formation in DNA base cation radicals. PMID:19754084

Isomerizations of the Nitromethane Radical Cation in the Gas Phase

DEFF Research Database (Denmark)

Egsgaard, Helge; Carlsen, Lars; Elbel, Susanne

1986-01-01

The concurrent isomerizations of the nitromethane radical cation to its aci-nitromethane and methylnitrite isomers, respectively, has been established based on metastable ion studies and collision activation mass spectrometry. The energy diagram for the ionized nitromethane/aci-nitromethane tauto......The concurrent isomerizations of the nitromethane radical cation to its aci-nitromethane and methylnitrite isomers, respectively, has been established based on metastable ion studies and collision activation mass spectrometry. The energy diagram for the ionized nitromethane...

Fast beam studies of free radical photodissociation

Energy Technology Data Exchange (ETDEWEB)

Neumark, D.M. [Lawrence Berkeley Laboratory, CA (United States)

1993-12-01

The authors have developed a novel technique for studying the photodissociation spectroscopy and dynamics of free radicals. In these experiments, radicals are generated by laser photodetachment of a fast (6-8 keV) mass-selected negative ion beam. The resulting radicals are photodissociated with a second laser, and the photofragments are collected and detected with high efficiency using a microchannel plate detector. The overall process is: ABC{sup -} {yields} ABC + e{sup -} {yields} A + BC, AB + C. Two types of fragment detection schemes are used. To map out the photodissociation cross-section of the radical, the photodissociation laser is scanned and the total photofragment yield is measured as a function of wavelength. In other experiments, the photodissociation frequency is fixed and the photofragment masses, kinetic energy release, and scattering angle is determined for each photodissociation event.

Comparison between calculation and measurement of energy deposited by 800 MeV protons

International Nuclear Information System (INIS)

Loewe, W.E.

1980-01-01

The High Energy Transport Code, HETC, was obtained from the Radiation Shielding Information Center (RSIC) at Oak Ridge National Laboratory and altered as necessary to run on a CDC 7600 using the LTSS software in use at LLNL. HETC was then used to obtain calculated estimates of energy deposited, for comparison with a series of benchmark experiments done by LLNL. These experiments used proton beams of various energies incident on well-defined composite targets in good geometry. In this report, two aspects of the comparison between calculated and experimental energy depositions from an 800 MeV proton beam are discussed. Both aspects involve the fact that workers at SAI had previously used their version of HETC to calculate this experiment and reported their comparison with the measured data. The first aspect addressed is that their calculated data and LLNL calculations do not agree, suggesting an error in the conversion process from the RSIC code. The second aspect is not independent of the first, but is of sufficient importance to merit separate emphasis. It is that the SAI calculations agree well with experiments at the detector plate located some distance from the shower plate, whereas the LLNL calculations show a clearcut discrepancy there in comparison with the experiment. A contract was let in January 1980 by LLNL with SAI in order to obtain full details on the two cited aspects of the comparison between calculated and experimental energy depositions from an 800 MeV proton beam. The ensuing discussion is based on the final report of that contracted work

Imprint reduction in rotating heavy ions beam energy deposition

Energy Technology Data Exchange (ETDEWEB)

Bret, A., E-mail: antoineclaude.bret@uclm.es [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, MS-51, Cambridge, MA 02138 (United States); ETSI Industriales, Universidad Castilla-La Mancha, 13071 Ciudad Real (Spain); Instituto de Investigaciones Energéticas y Aplicaciones Industriales, Campus Universitario de Ciudad Real, 13071 Ciudad Real (Spain); Piriz, A.R., E-mail: Roberto.Piriz@uclm.es [ETSI Industriales, Universidad Castilla-La Mancha, 13071 Ciudad Real (Spain); Instituto de Investigaciones Energéticas y Aplicaciones Industriales, Campus Universitario de Ciudad Real, 13071 Ciudad Real (Spain); Tahir, N.A., E-mail: n.tahir@gsi.de [GSI Darmstadt, Plankstrasse 1, 64291 Darmstadt (Germany)

2014-01-01

The compression of a cylindrical target by a rotating heavy ions beam is contemplated in certain inertial fusion schemes or in heavy density matter experiments. Because the beam has its proper temporal profile, the energy deposition is asymmetric and leaves an imprint which can have important consequences for the rest of the process. In this paper, the Fourier components of the deposited ion density are computed exactly in terms of the beam temporal profile and its rotation frequency Ω. We show that for any beam profile of duration T, there exist an infinite number of values of ΩT canceling exactly any given harmonic. For the particular case of a parabolic profile, we find possible to cancel exactly the first harmonic and nearly cancel every other odd harmonics. In such case, the imprint amplitude is divided by 4 without any increase of Ω.

Imprint reduction in rotating heavy ions beam energy deposition

International Nuclear Information System (INIS)

Bret, A.; Piriz, A.R.; Tahir, N.A.

2014-01-01

The compression of a cylindrical target by a rotating heavy ions beam is contemplated in certain inertial fusion schemes or in heavy density matter experiments. Because the beam has its proper temporal profile, the energy deposition is asymmetric and leaves an imprint which can have important consequences for the rest of the process. In this paper, the Fourier components of the deposited ion density are computed exactly in terms of the beam temporal profile and its rotation frequency Ω. We show that for any beam profile of duration T, there exist an infinite number of values of ΩT canceling exactly any given harmonic. For the particular case of a parabolic profile, we find possible to cancel exactly the first harmonic and nearly cancel every other odd harmonics. In such case, the imprint amplitude is divided by 4 without any increase of Ω

An EPR study of the lacquer-type bottle deposits from red wines

International Nuclear Information System (INIS)

Troup, G.J.; Hutton, D.R.; Pilbrow, J.R.; Hunter, C.A.; Hewitt, D.G.

1996-01-01

Full text: Lacquer-type deposits from 4 naturally aged red wines and one 'artificially', aged wine (by heating for 16 hrs at 84 deg C) were obtained from the Australian Wine Research Institute, Adelaide, and examined by EPR spectroscopy with a Varian E- 12 spectrometer working at ∼ 9.1 GHz The naturally aged wine deposits showed Fe 3+ in a low-symmetry site (g = 4.3), and Cu 2+ in an axial symmetry site (as deduced from the hyperfine structure) showing superhyperfine structure from N nuclei. A strong free radical signal was also present. The artificially aged wine deposit spectrum was similar, except no superhyperfine structure was present. The deposits are known to be anthocyanines cross-linked to a protein. The older the wine, the more intense was the superhyperfine structure, due to copper-amine interaction with the protein. The free radical signal is associated with the anthocyanines

Delocalization model of regioselectivity and reactivity of free radicals in reactions of addition to olefins

International Nuclear Information System (INIS)

Volovik, S.V.; Dyadyusha, G.G.; Staninets, V.I.

1987-01-01

On the basis of the concept of polarity (philicity) of free radicals as proposed by the authors, within the framework of methods of qualitative surfaces of potential energy (linear combinations of configurations of fragments) and stabilization energy, an effective model has been developed for the regioselectivity and reactivity of radicals in processes of addition. A critical examination is made of certain key aspects of the change in regiochemistry and reactivity with changes in the electronic structure of the free radical and substrate. The dominant trends in regioselectivity and reactivity in processes of free-radical addition to olefins are controlled by electronic effects and can be predicted by analyzing interactions of diabatic potential energy surfaces or orbital interactions for a system consisting of a free radical and an unsaturated substrate

Energy deposition and ion production from thermal oxygen ion precipitation during Cassini's T57 flyby

Science.gov (United States)

Snowden, Darci; Smith, Michael; Jimson, Theodore; Higgins, Alex

2018-05-01

Cassini's Radio Science Investigation (RSS) and Langmuir Probe observed abnormally high electron densities in Titan's ionosphere during Cassini's T57 flyby. We have developed a three-dimensional model to investigate how the precipitation of thermal magnetospheric O+ may have contributed to enhanced ion production in Titan's ionosphere. The three-dimensional model builds on previous work because it calculates both the flux of oxygen through Titan's exobase and the energy deposition and ion production rates in Titan's atmosphere. We find that energy deposition rates and ion production rates due to thermal O+ precipitation have a similar magnitude to the rates from magnetospheric electron precipitation and that the simulated ionization rates are sufficient to explain the abnormally high electron densities observed by RSS and Cassini's Langmuir Probe. Globally, thermal O+ deposits less energy in Titan's atmosphere than solar EUV, suggesting it has a smaller impact on the thermal structure of Titan's neutral atmosphere. However, our results indicate that thermal O+ precipitation can have a significant impact on Titan's ionosphere.

The entry of free radicals into polystyrene latex particles

International Nuclear Information System (INIS)

Adams, M.E.; Trau, M.; Gilbert, R.C.; Napper, D.R.

1988-01-01

Mechanistic understanding of the processes governing the kinetics of emulsion polymerization has both scientific and technical interest. One component of this process that is poorly understood at present is that of free radical entry into latex particles. Measurements were made of the entry rate coefficient as a function of temperature for free radicals entering polystyrene latex particles in seeded emulsion polymerizations initiated by γ-rays. The activation energy for entry was found to be less than 24 ± 3 kJ mol -1 , consistent with entry being controlled by a physical (e.g. diffusional) rather than a chemical process. Measurement of the entry rate coefficient as a function of the γ-ray dose rate suggested that the factors that determine the entry rate when the primary free radicals are uncharged are similar to those that determine the entry rate for charged free radicals derived from chemical initiation by peroxydisulfate. This result was consistent with measurements of the entry rate coefficient of charged free radicals derived from peroxydisulfate; these data were found to be virtually independent of both the extent of the latex surface coverage by the anionic surfactant sodium dodecyl sulfate and the ionic strength of the continuous phase. The data refute several proposals given in the literature for the rate-determining step for entry, being inconsistent with control by collision of free radicals with the latex particles, surfactant desorption, and an electrostatic barrier arising from the colloidal nature of the entering free radical. The origin of the activation energy for entry remains obscure

Simulation of spatially dependent excitation rates and power deposition in RF discharges for plasma processing

International Nuclear Information System (INIS)

Kushner, M.J.; Anderson, H.M.; Hargis, P.J.

1985-01-01

In low pressure, radio frequency (RF) discharges of the type used in plasma processing of semiconductor materials, the rate of electron impact excitation and energy transfer processes depends upon both the phase of the RF excitation and position in the discharge. Electron impact collisions create radicals that diffuse or drift to the surfaces of interest where they are adsorbed or otherwise react. To the extent that these radicals have a finite lifetime, their transport time from point of creation to surface of interest is an important parameter. The spatial dependence of the rate of the initial electron impact collisions is therefore also an important parameter. The power that sustains the discharge is coupled into the system by two mechanisms: a high energy e-beam component of the electron distribution resulting from electrons falling through or being accelerated by the sheaths, and by joule heating in the body of the plasma. In this paper, the authors discuss the spatial dependence of excitation rates and the method of power deposition iin RF discharges of the type used for plasma processing

Generation of radicals and antimalarial activity of dispiro-1,2,4-trioxolanes

Science.gov (United States)

Denisov, E. T.; Denisova, T. G.

2013-01-01

The kinetic schemes of the intramolecular oxidation of radicals generated from substituted dispiro-1,2,4-trioxolanes (seven compounds) in the presence of Fe2+ and oxygen were built. Each radical reaction was defined in terms of enthalpy, activation energy, and rate constant. The kinetic characteristics were calculated by the intersecting parabolas method. The competition between the radical reactions was considered. The entry of radicals generated by each compound into the volume was calculated. High antimalarial activity was found for 1,2,4-trioxolanes, which generated hydroxyl radicals. The structural features of trioxolanes responsible for the generation of hydroxyl radicals were determined.

A novel method of calculating the energy deposition curve of nanosecond pulsed surface dielectric barrier discharge

International Nuclear Information System (INIS)

He, Kun; Wang, Xinying; Lu, Jiayu; Cui, Quansheng; Pang, Lei; Di, Dongxu; Zhang, Qiaogen

2015-01-01

To obtain the energy deposition curve is very important in the fields to which nanosecond pulse dielectric barrier discharges (NPDBDs) are applied. It helps the understanding of the discharge physics and fast gas heating. In this paper, an equivalent circuit model, composed of three capacitances, is introduced and a method of calculating the energy deposition curve is proposed for a nanosecond pulse surface dielectric barrier discharge (NPSDBD) plasma actuator. The capacitance C d and the energy deposition curve E R are determined by mathematically proving that the mapping from C d to E R is bijective and numerically searching one C d that satisfies the requirement for E R to be a monotonically non-decreasing function. It is found that the value of capacitance C d varies with the amplitude of applied pulse voltage due to the change of discharge area and is dependent on the polarity of applied voltage. The bijectiveness of the mapping from C d to E R in nanosecond pulse volumetric dielectric barrier discharge (NPVDBD) is demonstrated and the feasibility of the application of the new method to NPVDBD is validated. This preliminarily shows a high possibility of developing a unified approach to calculate the energy deposition curve in NPDBD. (paper)

Energy transport

International Nuclear Information System (INIS)

Anon.

1982-01-01

The measurement of primary interaction cross sections and the incorporation of these data into Monte Carlo calculations provide detailed information about the initial spatial distribution of absorbed dose. Our theoretical energy transport studies have focused on the use of this information to predict the evolution of chemical species formed as a result of the energy deposition. This effort has led to a stochastic approach to diffusion kinetics that can account for the influence of track structure on the yield of free radicals in the radiolysis of water. Fluorescence studies with pulsed alpha particle and proton beams provided the first experimental test of our stochastic model of tract structure effects. Our experimental studies use time-resolved emission spectroscopy to investigate the mechanism of energy transport in nonpolar liquids. Studies of the concentration dependence of time-resolved emission from solutions of benzene in cyclohexane also show the importance of using low benzene concentrations to minimize the influence of benzene dimers on the emission kinetics

Ion implantation range and energy deposition codes COREL, RASE4, and DAMG2

International Nuclear Information System (INIS)

Brice, D.K.

1977-07-01

The FORTRAN codes COREL, RASE4 and DAMG2 can be used to calculate quantities associated with ion implantation range and energy deposition distributions within an amorphous target, or for ions incident far from low index directions and planes in crystalline targets. RASE4 calculates the projected range, R/sub p/, the root mean square spread in the projected range, ΔR/sub p/, and the root mean square spread of the distribution perpendicular to the projected range ΔR/sub perpendicular to/. These parameters are calculated as a function of incident ion energy, E, and the instantaneous energy of the ion, E'. They are sufficient to determine the three dimensional spatial distribution of the ions in the target in the Gaussian approximation when the depth distribution is independent of the lateral distribution. RASE4 can perform these calculations for targets having up to four different component atomic species. The code COREL is a short, economical version of RASE4 which calculates the range and straggling variables for E' = 0. Its primary use in the present package is to provide the average range and straggling variables for recoiling target atoms which are created by the incident ion. This information is used by RASE4 in calculating the redistribution of deposited energy by the target atom recoils. The code DAMG2 uses the output from RASE4 to calculate the depth distribution of energy deposition into either atomic processes or electronic processes. With other input DAMG2 can be used to calculate the depth distribution of any energy dependent interaction between the incident ions and target atoms. This report documents the basic theory behind COREL, RASE4 and DAMG2, including a description of codes, listings, and complete instructions for using the codes, and their limitations

Study on re-sputtering during CN{sub x} film deposition through spectroscopic diagnostics of plasma

Energy Technology Data Exchange (ETDEWEB)

Liang, Peipei; Yang, Xu; Li, Hui; Cai, Hua [Department of Optical Science and Engineering, Fudan University, Shanghai 200433 (China); Sun, Jian; Xu, Ning [Department of Optical Science and Engineering, Fudan University, Shanghai 200433 (China); Shanghai Engineering Research Center of Ultra-Precision Optical Manufacturing, Fudan University, Shanghai 200433 (China); Wu, Jiada, E-mail: jdwu@fudan.edu.cn [Department of Optical Science and Engineering, Fudan University, Shanghai 200433 (China); Shanghai Engineering Research Center of Ultra-Precision Optical Manufacturing, Fudan University, Shanghai 200433 (China); Engineering Research Center of Advanced Lighting Technology, Ministry of Education, Fudan University, Shanghai 200433 (China)

2015-10-15

A nitrogen-carbon plasma was generated during the deposition of carbon nitride (CN{sub x}) thin films by pulsed laser ablation of a graphite target in a discharge nitrogen plasma, and the optical emission of the generated nitrogen-carbon plasma was measured for the diagnostics of the plasma and the characterization of the process of CN{sub x} film deposition. The nitrogen-carbon plasma was recognized to contain various species including nitrogen molecules and molecular ions excited in the ambient N{sub 2} gas, carbon atoms and atomic ions ablated from the graphite target and CN radicals. The temporal evolution and spatial distribution of the CN emission and their dependence on the substrate bias voltage show two groups of CN radicals flying in opposite directions. One represents the CN radicals formed as the products of the reactions occurring in the nitrogen-carbon plasma, revealing the reactive deposition of CN{sub x} film due to the reactive expansion of the ablation carbon plasma in the discharge nitrogen plasma and the effective formation of gaseous CN radicals as precursors for CN{sub x} film growth. The other one represents the CN radicals re-sputtered from the growing CN{sub x} film by energetic plasma species, evidencing the re-sputtering of the growing film accompanying film growth. And, the re-sputtering presents ion-induced sputtering features.

Role of temperature and energy density in the pulsed laser deposition of zirconium oxide thin film

International Nuclear Information System (INIS)

Mittra, Joy; Abraham, G.J.; Viswanadham, C.S.; Kulkarni, U.D.; Dey, G.K.

2011-01-01

Present work brings out the effects of energy density and substrate temperature on pulsed laser deposition of zirconium oxide thin film on Zr-base alloy substrates. The ablation of sintered zirconia has been carried out using a KrF excimer laser having 30 ns pulse width and 600 mJ energy at source at 10 Hz repetition rate. To comprehend effects of these parameters on the synthesized thin film, pure zirconia substrate has been ablated at two different energy densities, 2 J.cm -2 and 5 J.cm -2 , keeping the substrate at 300 K, 573 K and 873 K, respectively. After visual observation, deposited thin films have been examined using Raman Spectroscopy (RS) and X-ray Photo-electron Spectroscopy (XPS). It has been found that the oxide deposited at 300 K temperature does not show good adherence with the substrate and deteriorates further with the reduction in energy density of the incident laser. The oxide films, deposited at 573 K and 873 K, have been found to be adherent with the substrate and appear lustrous black. These indicate that the threshold for adherence of the zirconia film on the Zr-base alloy substrate lies in between 300 K and 573 K. Analysis of Raman spectra has indicated that thin films of zirconia, deposited using pulsed laser, on the Zr-base metallic substrate are initially in amorphous state. Experimental evidence has indicated a strong link among the degree of crystallinity of the deposited oxide film, the substrate temperature and the energy density. It also has shown that the crystallization of the oxide film is dependent on the substrate temperature and the duration of holding at high temperature. The O:Zr ratios of the films, analyzed from the XPS data, have been found to be close to but less than 2. This appears to explain the reason for the transformation of amorphous oxide into monoclinic and tetragonal phases, below 573 K, and not into cubic phase, which is reported to be more oxygen deficient. (author)

Films deposited from reactive sputtering of aluminum acetylacetonate under low energy ion bombardment

Energy Technology Data Exchange (ETDEWEB)

Battaglin, Felipe Augusto Darriba; Prado, Eduardo Silva; Cruz, Nilson Cristino da; Rangel, Elidiane Cipriano, E-mail: elidiane@sorocaba.unesp.br [Universidade Estadual Paulista Julio de Mesquita Filho (UNESP), Sorocaba, SP (Brazil). Lab. de Plasmas Tecnologicos; Caseli, Luciano [Universidade Federal de Sao Paulo (UNIFESP), Diadema, SP (Brazil). Instituto de Ciencias Ambientais, Quimicas e Farmaceuticas; Silva, Tiago Fiorini da; Tabacniks, Manfredo Harri [Universidade de Sao Paulo (USP), SP (Brazil). Instituto de Fisica

2017-07-15

Films were deposited from aluminum acetylacetonate (Al(acac)3 ) using a methodology involving reactive sputtering and low energy ion bombardment. The plasma was generated by the application of radiofrequency power to the powder containing electrode and simultaneously, negative pulses were supplied to the electrode where the substrates were attached. It was investigated the effect of the duty cycle of the pulses (Δ) on the properties of the coatings. Association of ion bombardment to the deposition process increased film thickness, structure reticulation and organic content. Ions from the deposition environment were implanted at the film-air interface or underneath it. Morphology and topography were altered depending on Δ. Considering the enhancement of Δ, it affected the flux of ions reaching the depositing interface and then the deposition rate, H content, crosslinking degree and surface microstructure. Alumina groups were detected in the infrared spectra, whereas the precipitation of amorphous alumina was confirmed by X-ray diffraction. (author)

Surface modification of reverse osmosis desalination membranes by thin-film coatings deposited by initiated chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Ozaydin-Ince, Gozde, E-mail: gozdeince@sabanciuniv.edu [Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Matin, Asif, E-mail: amatin@mit.edu [Department of Mechanical Engineering, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Khan, Zafarullah, E-mail: zukhan@mit.edu [Department of Mechanical Engineering, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Zaidi, S.M. Javaid, E-mail: zaidismj@kfupm.edu.sa [Department of Mechanical Engineering, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Gleason, Karen K., E-mail: kkgleasn@mit.edu [Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

2013-07-31

Thin-film polymeric reverse osmosis membranes, due to their high permeation rates and good salt rejection capabilities, are widely used for seawater desalination. However, these membranes are prone to biofouling, which affects their performance and efficiency. In this work, we report a method to modify the membrane surface without damaging the active layer or significantly affecting the performance of the membrane. Amphiphilic copolymer films of hydrophilic hydroxyethylmethacrylate and hydrophobic perfluorodecylacrylate (PFA) were synthesized and deposited on commercial RO membranes using an initiated chemical vapor deposition technique which is a polymer deposition technique that involves free-radical polymerization initiated by gas-phase radicals. Relevant surface characteristics such as hydrophilicity and roughness could be systematically controlled by varying the polymer chemistry. Increasing the hydrophobic PFA content in the films leads to an increase in the surface roughness and hydrophobicity. Furthermore, the surface morphology studies performed using the atomic force microscopy show that as the thickness of the coating increases average surface roughness increases. Using this knowledge, the coating thickness and chemistry were optimized to achieve high permeate flux and to reduce cell attachment. Results of the static bacterial adhesion tests show that the attachment of bacterial cells is significantly reduced on the coated membranes. - Highlights: • Thin films are deposited on reverse osmosis membranes. • Amphiphilic thin films are resistant to protein attachment. • The permeation performance of the membranes is not affected by the coating. • The thin film coatings delayed the biofouling.

Characterization of Neutral Radicals from a Dissociative Electron Attachment Process

Science.gov (United States)

Li, Zhou; Milosavljević, Aleksandar R.; Carmichael, Ian; Ptasinska, Sylwia

2017-08-01

Despite decades of gas-phase studies on dissociative electron attachment (DEA) to various molecules, as yet there has been no direct detection and characterization of the neutral radical species produced by this process. In this study, we performed stepwise electron spectroscopy to directly measure and characterize the neutrals produced upon zero-electron-energy DEA to the model molecule, carbon tetrachloride (CCl4 ). We observed the direct yield of the trichloromethyl radical (CCl3. ) formed by DEA to CCl4 and measured the appearance energies of all the other neutral species. By combining these experimental findings with high-level quantum chemical calculations, we performed a complete analysis of both the DEA to CCl4 and the subsequent electron-impact ionization of CCl3. . This work paves the way toward a complete experimental characterization of DEA processes, which will lead to a better understanding of the low-energy electron-induced formation of radical species.

Measurement of energy deposition near heavy ion tracks

International Nuclear Information System (INIS)

Metting, N.F.; Brady, L.A.; Rossi, H.H.; Kliauga, P.J.; Howard, J.; Wong, M.; Schimmerling, W.; Rapkin, M.

1985-01-01

In November of 1982 work was begun in collaboration with Columbia University and Lawrence Berkeley Laboratory to use microdosimetric methods to measure energy deposition of heavy ions produced at LBL's Bevalac Biomedical Facility. Last year the authors reported preliminary results indicating that secondary charged particle equilibrium was probably obtained using this experimental setup, but that there seemed to be poor spatial resolution in the solid state position-sensitive detector. Further analysis of the measurements taken in August 1983 shows that because of this electronic noise in the position-sensitive detector, only the 56 Fe data yielded useful microdosimetric spectra

Scaling of energy deposition in fast ignition targets

International Nuclear Information System (INIS)

Welch, Dale R.; Slutz, Stephen A.; Mehlhorn, Thomas Alan; Campbell, Robert B.

2005-01-01

We examine the scaling to ignition of the energy deposition of laser generated electrons in compressed fast ignition cores. Relevant cores have densities of several hundred g/cm 3 , with a few keV initial temperature. As the laser intensities increase approaching ignition systems, on the order of a few 10 21 W/cm 2 , the hot electron energies expected to approach 100MeV. Most certainly anomalous processes must play a role in the energy transfer, but the exact nature of these processes, as well as a practical way to model them, remain open issues. Traditional PIC explicit methods are limited to low densities on current and anticipated computing platforms, so the study of relevant parameter ranges has received so far little attention. We use LSP to examine a relativistic electron beam (presumed generated from a laser plasma interaction) of legislated energy and angular distribution is injected into a 3D block of compressed DT. Collective effects will determine the stopping, most likely driven by magnetic field filamentation. The scaling of the stopping as a function of block density and temperature, as well as hot electron current and laser intensity is presented. Sub-grid models may be profitably used and degenerate effects included in the solution of this problem.

Electron transfer in organic glass. Distance and energy dependence

International Nuclear Information System (INIS)

Krongauz, V.V.

1992-01-01

The authors have investigated the distance and energy dependence of electron transfer in rigid organic glasses containing randomly dispersed electron donor and electron acceptor molecules. Pulsed radiolysis by an electron beam from a linear accelerator was used for ionization resulting in charge deposition on donor molecules. The disappearance kinetics of donor radical anions due to electron transfer to acceptor was monitored spectroscopically by the change in optical density at the wavelength corresponding to that of donor radical anion absorbance. It was found that the rate of the electron transfer observed experimentally was higher than that computed using the Marcus-Levich theory assuming that the electron-transfer activation barrier is equal to the binding energy of electron on the donor molecule. This discrepancy between the experimental and computed results suggests that the open-quotes inertclose quotes media in which electron-transfer reaction takes place may be participating in the process, resulting in experimentally observed higher electron-transfer rates. 32 refs., 3 figs., 2 tabs

1-D Van der Waals Foams Heated by Ion Beam Energy Deposition

International Nuclear Information System (INIS)

Zylstra, A.B.; Barnard, J.J.; More, R.M.

2009-01-01

One dimensional simulations of various initial average density aluminum foams (modeled as slabs of solid metal separated by low density regions) heated by volumetric energy deposition are conducted with a Lagrangian hydrodynamics code using a van der Waals equation of tate (EOS). The resulting behavior is studied to facilitate the design of future warm dense matter (WDM) experiments at LBNL. In the simulations the energy deposition ranges from 10 to 30 kJ/g and from 0.075 to 4.0 ns total pulse length, resulting in temperatures from approximately 1 o 4 eV. We study peak pressures and temperatures in the foams, expansion velocity, and the phase evolution. Five relevant time scales in the problem are identified. Additionally, we present a method for characterizing the level of inhomogeneity in a foam target as it is heated and the time it takes for a foam to homogenize.

Teaching Methods in Nutrition: Free Radicals, Antioxidants, and Human Disease.

Science.gov (United States)

Janowiak, John J.

This article presents a teaching methodology for free radical theory and discusses the role of antioxidants in human health. Free radicals are a normal byproduct of respiration, which allows the body to use oxygen, liberate energy, and dispose of harmful substances. The body's antioxidants and nutritional antioxidants quench most of the free…

Collision dynamics of methyl radicals and highly vibrationally excited molecules using crossed molecular beams

International Nuclear Information System (INIS)

Chu, P.M.Y.

1991-10-01

The vibrational to translational (V→T) energy transfer in collisions between large highly vibrationally excited polyatomics and rare gases was investigated by time-of-flight techniques. Two different methods, UV excitation followed by intemal conversion and infrared multiphoton excitation (IRMPE), were used to form vibrationally excited molecular beams of hexafluorobenzene and sulfur hexafluoride, respectively. The product translational energy was found to be independent of the vibrational excitation. These results indicate that the probability distribution function for V→T energy transfer is peaked at zero. The collisional relaxation of large polyatomic molecules with rare gases most likely occurs through a rotationally mediated process. Photodissociation of nitrobenzene in a molecular beam was studied at 266 nm. Two primary dissociation channels were identified including simple bond rupture to produce nitrogen dioxide and phenyl radical and isomerization to form nitric oxide and phenoxy radical. The time-of-flight spectra indicate that simple bond rupture and isomerization occurs via two different mechanisms. Secondary dissociation of the phenoxy radicals to carbon monoxide and cyclopentadienyl radicals was observed as well as secondary photodissociation of phenyl radical to give H atom and benzyne. A supersonic methyl radical beam source is developed. The beam source configuration and conditions were optimized for CH 3 production from the thermal decomposition of azomethane. Elastic scattering of methyl radical and neon was used to differentiate between the methyl radicals and the residual azomethane in the molecular beam

Formation and fragmentation of radical peptide anions: insights from vacuum ultra violet spectroscopy.

Science.gov (United States)

Brunet, Claire; Antoine, Rodolphe; Dugourd, Philippe; Canon, Francis; Giuliani, Alexandre; Nahon, Laurent

2012-02-01

We have studied the photodissociation of gas-phase deprotonated caerulein anions by vacuum ultraviolet (VUV) photons in the 4.5 to 20 eV range, as provided by the DESIRS beamline at the synchrotron radiation facility SOLEIL (France). Caerulein is a sulphated peptide with three aromatic residues and nine amide bonds. Electron loss is found to be the major relaxation channel at every photon energy. However, an increase in the fragmentation efficiency (neutral losses and peptide backbone cleavages) as a function of the energy is also observed. The oxidized ions, generated by electron photodetachment were further isolated and activated by collision (CID) in a MS(3) scheme. The branching ratios of the different fragments observed by CID as a function of the initial VUV photon energy are found to be independent of the initial photon energy. Thus, there is no memory effect of the initial excitation energy on the fragmentation channels of the oxidized species on the time scale of our tandem MS experiment. We also report photofragment yields as a function of photon energy for doubly deprotonated caerulein ions, for both closed-shell ([M-2H](2-)) non-radical ions and open-shell ([M-3H](2-•)) radical ions. These latter ions are generated by electron photodetachment from [M-3H](3-) precursor ions. The detachment yield increases monotonically with the energy with the appearance of several absorption bands. Spectra for radical and non-radical ions are quite similar in terms of observed bands; however, the VUV fragmentation yield is enhanced by the presence of a radical in caerulein peptides. © American Society for Mass Spectrometry, 2011

Theoretical and experimental study of a calorimetric technique for measuring energy deposition in materials caused by complex pile irradiation

International Nuclear Information System (INIS)

Mas, P.; Sciers, P.; Droulers, Y.

1962-01-01

Calorimetric methods may be used to measure gamma fluxes greater than 10 6 r/h near the cores of swimming pool reactors. The theory, design, and properties of isothermal calorimeters are discussed, and experimental results obtained with two types are presented. Measurement of energy deposition in materials and the long term integration of energy depositions are other uses of these devices. Results of measurements on heat deposition in steel and water are given. Fluxes were also measured. (authors) [fr

Measurements of gamma-ray energy deposition in a heterogeneous reactor experimental configuration and their analysis

International Nuclear Information System (INIS)

Calamand, D.; Wouters, R. de; Knipe, A.D.; Menil, R.

1984-10-01

An important contribution to the power output of a fast reactor is provided by the energy deposition from gamma-rays, and is particularly significant in the inner fertile zones of heterogeneous breeder reactor designs. To establish the validity of calculational methods and data for such systems an extensive series of measurements was performed in the zero power reactor Masurca, as part of the RACINE programme. The experimental study involved four European laboratories and the measurement techniques covered a range of thermoluminescent dosemeters and an ionization chamber. The present paper describes and compares the gamma-ray energy deposition measurements and analysis

Simulating the energy deposits of particles in the KASCADE-grande detector stations as a preliminary step for EAS event reconstruction

International Nuclear Information System (INIS)

Toma, G.; Brancus, I.M.; Mitrica, B.; Sima, O.; Rebel, H.; Haungs, A.

2005-01-01

The study of primary cosmic rays with energies higher than 10 14 eV is done mostly by indirect observation techniques such as the study of Extensive Air Showers (EAS). In the much larger framework effort of inferring data on the mass and energy of the primaries from EAS observables, the present study aims at developing a versatile method and software tool that will be used to reconstruct lateral particle densities from the energy deposits of particles in the KASCADE-Grande detector stations. The study has been performed on simulated events, by taking into account the interaction of the EAS components with the detector array (energy deposits). The energy deposits have been simulated using the GEANT code and then the energy deposits have been parametrized for different incident energies and angles of EAS particles. Thus the results obtained for simulated events have the same level of consistency as the experimental data. This technique will allow an increased speed of lateral particle density reconstruction when studying real events detected by the KASCADE-Grande array. The particle densities in detectors have been reconstructed from the energy deposits. A correlation between lateral particle density and primary mass and primary energy (at ∼600 m from shower core) has been established. The study puts great emphasis on the quality of reconstruction and also on the speed of the technique. The data obtained from the study on simulated events creates the basis for the next stage of the study, the study of real events detected by the KASCADE-Grande array. (authors)

Monte carlo calculation of energy deposition and ionization yield for high energy protons

International Nuclear Information System (INIS)

Wilson, W.E.; McDonald, J.C.; Coyne, J.J.; Paretzke, H.G.

1985-01-01

Recent calculations of event size spectra for neutrons use a continuous slowing down approximation model for the energy losses experienced by secondary charged particles (protons and alphas) and thus do not allow for straggling effects. Discrepancies between the calculations and experimental measurements are thought to be, in part, due to the neglect of straggling. A tractable way of including stochastics in radiation transport calculations is via the Monte Carlo method and a number of efforts directed toward simulating positive ion track structure have been initiated employing this technique. Recent results obtained with our updated and extended MOCA code for charged particle track structure are presented here. Major emphasis has been on calculating energy deposition and ionization yield spectra for recoil proton crossers since they are the most prevalent event type at high energies (>99% at 14 MeV) for small volumes. Neutron event-size spectra can be obtained from them by numerical summing and folding techniques. Data for ionization yield spectra are presented for simulated recoil protons up to 20 MeV in sites of diameters 2-1000 nm

Monte Carlo charged-particle tracking and energy deposition on a Lagrangian mesh.

Science.gov (United States)

Yuan, J; Moses, G A; McKenty, P W

2005-10-01

A Monte Carlo algorithm for alpha particle tracking and energy deposition on a cylindrical computational mesh in a Lagrangian hydrodynamics code used for inertial confinement fusion (ICF) simulations is presented. The straight line approximation is used to follow propagation of "Monte Carlo particles" which represent collections of alpha particles generated from thermonuclear deuterium-tritium (DT) reactions. Energy deposition in the plasma is modeled by the continuous slowing down approximation. The scheme addresses various aspects arising in the coupling of Monte Carlo tracking with Lagrangian hydrodynamics; such as non-orthogonal severely distorted mesh cells, particle relocation on the moving mesh and particle relocation after rezoning. A comparison with the flux-limited multi-group diffusion transport method is presented for a polar direct drive target design for the National Ignition Facility. Simulations show the Monte Carlo transport method predicts about earlier ignition than predicted by the diffusion method, and generates higher hot spot temperature. Nearly linear speed-up is achieved for multi-processor parallel simulations.

Model of enhanced energy deposition in a Z-pinch plasma

International Nuclear Information System (INIS)

Velikovich, A. L.; Davis, J.; Thornhill, J. W.; Giuliani, J. L. Jr.; Rudakov, L. I.; Deeney, C.

2000-01-01

In numerous experiments, magnetic energy coupled to strongly radiating Z-pinch plasmas exceeds the thermalized kinetic energy, sometimes by a factor of 2-3. An analytical model describing this additional energy deposition based on the concept of macroscopic magnetohydrodynamic (MHD) turbulent pinch heating proposed by Rudakov and Sudan [Phys. Reports 283, 253 (1997)] is presented. The pinch plasma is modeled as a foam-like medium saturated with toroidal ''magnetic bubbles'' produced by the development of surface m=0 Rayleigh-Taylor and MHD instabilities. As the bubbles converge to the pinch axis, their magnetic energy is converted to thermal energy of the plasma through pdV work. Explicit formulas for the average dissipation rate of this process and the corresponding contribution to the resistance of the load, which compare favorably to the experimental data and simulation results, are presented. The possibility of using this enhanced (relative to Ohmic heating) dissipation mechanism to power novel plasma radiation sources and produce high K-shell yields using long current rise time machines is discussed. (c) 2000 American Institute of Physics

Hydroxyl-radical-induced oxidation of cyclic dipeptides: Reactions of free peptide radicals and their peroxyl radicals

International Nuclear Information System (INIS)

Mieden, O.J.

1989-01-01

In the course of this study investigations were carried out into the reactions of hydroxyl radicals and hydrogen atoms with cyclic dipeptides as well as the subsequent reactions of peptide radicals and their peroxyl radicals in aqueous solution. The radiolysis products formed in the absence and presence of oxygen or transient metal complexes were characterized and determined on a quantitative basis. The linking of information from product analyses to the kinetic data for transient species obtained by time-resolving UV/VIS and conductivity measurements (pulse radiolysis) as well as computer-assisted simulations of individual events during the reaction permitted an evaluation of the mechanisms underlying the various processes and an identification of interim products with short life-times, which did or did not belong to the group of radicals. Through the characterization of key reactions of radicals and peroxyl radicals of this substance class a major advance has been made towards a better understanding of the role of radicals in the peptide compound and the mechanisms involved in indirect radiation effects on long-chain peptides and proteins. (orig.) [de

A radical approach to radical innovation

NARCIS (Netherlands)

D. Deichmann (Dirk); J.C.M. van den Ende (Jan)

2014-01-01

textabstractInnovation pays. Amazon, Apple, Facebook, Google – nearly every one of today’s most successful companies has a talent for developing radical new ideas. But how best to encourage radical initiative taking from employees, and does their previous success or failure at it play a role?

Synchrotron-based valence shell photoionization of CH radical

Energy Technology Data Exchange (ETDEWEB)

Gans, B., E-mail: berenger.gans@u-psud.fr, E-mail: christian.alcaraz@u-psud.fr; Falvo, C. [Institut des Sciences Moléculaires d’Orsay (ISMO), CNRS, Univ. Paris-Sud, Université Paris-Saclay, F-91405 Orsay (France); Holzmeier, F.; Röder, A. [Institut of Physical and Theoretical Chemistry, University of Würzburg, Am Hubland, D-97074 Würzburg (Germany); Krüger, J.; Garcia, G. A. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint Aubin BP 48, F-91192 Gif sur Yvette Cedex (France); Lopes, A.; Alcaraz, C., E-mail: berenger.gans@u-psud.fr, E-mail: christian.alcaraz@u-psud.fr [Laboratoire de Chimie Physique, UMR 8000 CNRS—Univ. Paris-Sud, Univ. Paris-Saclay, Bât. 350, Centre Universitaire Paris-Sud, F-91405 Orsay Cedex (France); Fittschen, C. [Université Lille, CNRS, UMR 8522–PC2A–Physicochimie des Processus de Combustion et de l’Atmosphère, F-59000 Lille (France); Loison, J.-C. [Institut des Sciences Moléculaires, UMR 5255 CNRS—Université de Bordeaux, Bât. A12, 351 cours de la Libération, F-33405 Talence Cedex (France)

2016-05-28

We report the first experimental observations of X{sup +} {sup 1}Σ{sup +}←X {sup 2}Π and a{sup +} {sup 3}Π←X {sup 2}Π single-photon ionization transitions of the CH radical performed on the DESIRS beamline at the SOLEIL synchrotron facility. The radical was produced by successive hydrogen-atom abstractions on methane by fluorine atoms in a continuous microwave discharge flow tube. Mass-selected ion yields and photoelectron spectra were recorded as a function of photon energy using a double imaging photoelectron/photoion coincidence spectrometer. The ion yield appears to be strongly affected by vibrational and electronic autoionizations, which allow the observation of high Rydberg states of the neutral species. The photoelectron spectra enable the first direct determinations of the adiabatic ionization potential and the energy of the first triplet state of the cation with respect to its singlet ground state. This work also brings valuable information on the complex electronic structure of the CH radical and its cation and adds new observations to complement our understanding of Rydberg states and autoionization processes.

Comparison of feed energy costs of maintenance, lean deposition, and fat deposition in three lines of mice selected for heat loss.

Science.gov (United States)

Eggert, D L; Nielsen, M K

2006-02-01

Three replications of mouse selection populations for high heat loss (MH), low heat loss (ML), and a nonselected control (MC) were used to estimate the feed energy costs of maintenance and gain and to test whether selection had changed these costs. At 21 and 49 d of age, mice were weighed and subjected to dual x-ray densitometry measurement for prediction of body composition. At 21 d, mice were randomly assigned to an ad libitum, an 80% of ad libitum, or a 60% of ad libitum feeding group for 28-d collection of individual feed intake. Data were analyzed using 3 approaches. The first approach was an attempt to partition energy intake between costs for maintenance, fat deposition, and lean deposition for each replicate, sex, and line by multiple regression of feed intake on the sum of daily metabolic weight (kg(0.75)), fat gain, and lean gain. Approach II was a less restrictive attempt to partition energy intake between costs for maintenance and total gain for each replicate, sex, and line by multiple regression of feed intake on the sum of daily metabolic weight and total gain. Approach III used multiple regression on the entire data set with pooled regressions on fat and lean gains, and subclass regressions for maintenance. Contrasts were conducted to test the effect of selection (MH - ML) and asymmetry of selection [(MH + ML)/2 - MC] for the various energy costs. In approach I, there were no differences between lines for costs of maintenance, fat deposition, or protein deposition, but we question our ability to estimate these accurately. In approach II, selection changed both cost of maintenance (P = 0.03) and gain (P = 0.05); MH mice had greater per unit costs than ML mice for both. Asymmetry of the selection response was found in approach II for the cost of maintenance (P = 0.06). In approach III, the effect of selection (P maintenance cost, but asymmetry of selection (P > 0.17) was not evident. Sex effects were found for the cost of fat deposition (P = 0.02) in

Radicalization In Pakistan And The Spread Of Radical Islam In Pakistan

Directory of Open Access Journals (Sweden)

Bahir ahmad

2015-08-01

Full Text Available ABSTRACT It is pertinent to mention that radicalism is not intrinsic to Islam and radical interpretations of the religion or for that matter may occur within any way of life and religion Saikal 2003 and yet the question remains as to why Muslims in certain geographical regions have more radical approaches towards their religion and also that what are the causes of such radicalization. Becoming a radical Muslim is not even a matter of a day nor is it a sudden process. There are several reasons behind making a person radical peaceful angry smiling or tolerant. For knowing the reason behind radicalization or radicals persons one has to understand the causes. Tracing these causes is one of the ways to eliminate such behavior. The first step in the elimination of the radical sentiments in a person is to develop peace in his personality Fair Malhotra amp Shapiro 2010. The chapter which has been addressed here is going to shed light on the roots and symptoms of the radicalism. There will be a brief discussion on how the roots of radicalism can be traced and can be eliminated. The assessment and discussion will be conducted on the parameters of the economy media politics and theology from social cultural point of view. According to the analysis of Ahrari 2000 political factor is one of the major and direct factors which have resulted in causing of the radicalism. These factors however intertwine with one another. Radical actions cannot take place only because of the political factors.

Microstructure of a-C:H films prepared on a microtrench and analysis of ions and radicals behavior

Energy Technology Data Exchange (ETDEWEB)

Hirata, Yuki; Choi, Junho, E-mail: choi@mech.t.u-tokyo.ac.jp [Department of Mechanical Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

2015-08-28

Amorphous carbon films (a-C:H) were prepared on a microtrench (4-μm pitch and 4-μm depth), and the uniformity of film thickness and microstructure of the films on the top, sidewall, and bottom surfaces of the microtrench were evaluated by scanning electron microscopy and Raman spectroscopy. The a-C:H films were prepared by bipolar-type plasma based ion implantation and deposition (bipolar PBII&D), and the negative pulse voltage, which is the main parameter dominating the film structure, was changed from −1.0 to −15 kV. Moreover, the behavior of ions and radicals was analyzed simultaneously by combining the calculation methods of Particle-In-Cell/Monte Carlo Collision (PIC-MCC) and Direct Simulation Monte Carlo (DSMC) to investigate the coating mechanism for the microtrench. The results reveal that the thickness uniformity of a-C:H films improves with decreasing negative pulse voltage due to the decreasing inertia of incoming ions from the trench mouth, although the film thickness on the sidewall tends to be much smaller than that on the top and bottom surfaces of the trench. The normalized flux and the film thickness show similar behavior, i.e., the normalized flux or thickness at the bottom surface increases at low negative pulse voltages and then saturates at a certain value, whereas at the sidewall it monotonically decreases with increasing negative voltage. The microstructure of a-C:H films on the sidewall surface is very different from that on the top and bottom surfaces. The film structure at a low negative pulse voltage shifts to more of a polymer-like carbon (PLC) structure due to the lower incident energy of ions. Although the radical flux on the sidewall increases slightly, the overall film structure is not significantly changed because this film formation at a low negative voltage is originally dominated by radicals. On the other hand, the flux of radicals is dominant on the sidewall in the case of high negative pulse voltage, resulting in a

Microstructure of a-C:H films prepared on a microtrench and analysis of ions and radicals behavior

Science.gov (United States)

Hirata, Yuki; Choi, Junho

2015-08-01

Amorphous carbon films (a-C:H) were prepared on a microtrench (4-μm pitch and 4-μm depth), and the uniformity of film thickness and microstructure of the films on the top, sidewall, and bottom surfaces of the microtrench were evaluated by scanning electron microscopy and Raman spectroscopy. The a-C:H films were prepared by bipolar-type plasma based ion implantation and deposition (bipolar PBII&D), and the negative pulse voltage, which is the main parameter dominating the film structure, was changed from -1.0 to -15 kV. Moreover, the behavior of ions and radicals was analyzed simultaneously by combining the calculation methods of Particle-In-Cell/Monte Carlo Collision (PIC-MCC) and Direct Simulation Monte Carlo (DSMC) to investigate the coating mechanism for the microtrench. The results reveal that the thickness uniformity of a-C:H films improves with decreasing negative pulse voltage due to the decreasing inertia of incoming ions from the trench mouth, although the film thickness on the sidewall tends to be much smaller than that on the top and bottom surfaces of the trench. The normalized flux and the film thickness show similar behavior, i.e., the normalized flux or thickness at the bottom surface increases at low negative pulse voltages and then saturates at a certain value, whereas at the sidewall it monotonically decreases with increasing negative voltage. The microstructure of a-C:H films on the sidewall surface is very different from that on the top and bottom surfaces. The film structure at a low negative pulse voltage shifts to more of a polymer-like carbon (PLC) structure due to the lower incident energy of ions. Although the radical flux on the sidewall increases slightly, the overall film structure is not significantly changed because this film formation at a low negative voltage is originally dominated by radicals. On the other hand, the flux of radicals is dominant on the sidewall in the case of high negative pulse voltage, resulting in a deviation

Aluminum-containing dense deposits of the glomerular basement membrane: identification by energy dispersive X-ray analysis

International Nuclear Information System (INIS)

Smith, D.M. Jr.; Pitcock, J.A.; Murphy, W.M.

1982-01-01

Heavy metals, including gold, mercury, lead, bismuth, and cadmium, have the potential to cause renal disease. With the development of X-ray microanalysis, these heavy metals can now be identified in tissue deposits. This report describes a case of renal failure, probably related to dysproteinemia, in which granular, electron-opaque dense deposits were present in the glomerular basement membranes. Energy dispersive X-ray analysis demonstrated that these dense deposits contained aluminum. An analysis of this patient's history in relation to the current knowledge of aluminum metabolism suggests that the aluminum deposition occurred secondary to previous glomerular injury. This case emphasizes the need to utilize heavy metal identification technology whenever granular, electron-opaque dense deposits are identified and represents, to our knowledge, the first study to document aluminum deposits within the glomerular basement membrane of humans

Ultraviolet photodissociation dynamics of the benzyl radical.

Science.gov (United States)

Song, Yu; Zheng, Xianfeng; Lucas, Michael; Zhang, Jingsong

2011-05-14

Ultraviolet (UV) photodissociation dynamics of jet-cooled benzyl radical via the 4(2)B(2) electronically excited state is studied in the photolysis wavelength region of 228 to 270 nm using high-n Rydberg atom time-of-flight (HRTOF) and resonance enhanced multiphoton ionization (REMPI) techniques. In this wavelength region, H-atom photofragment yield (PFY) spectra are obtained using ethylbenzene and benzyl chloride as the precursors of benzyl radical, and they have a broad peak centered around 254 nm and are in a good agreement with the previous UV absorption spectra of benzyl. The H + C(7)H(6) product translational energy distributions, P(E(T))s, are derived from the H-atom TOF spectra. The P(E(T)) distributions peak near 5.5 kcal mol(-1), and the fraction of average translational energy in the total excess energy, , is ∼0.3. The P(E(T))s indicate the production of fulvenallene + H, which was suggested by recent theoretical studies. The H-atom product angular distribution is isotropic, with the anisotropy parameter β ≈ 0. The H/D product ratios from isotope labeling studies using C(6)H(5)CD(2) and C(6)D(5)CH(2) are reasonably close to the statistical H/D ratios, suggesting that the H/D atoms are scrambled in the photodissociation of benzyl. The dissociation mechanism is consistent with internal conversion of the electronically excited benzyl followed by unimolecular decomposition of the hot benzyl radical on the ground state.

Evaluation of cobalt-60 energy deposit in mouse and monkey using Monte Carlo simulation

Energy Technology Data Exchange (ETDEWEB)

Woo, Sang Keun; Kim, Wook; Park, Yong Sung; Kang, Joo Hyun; Lee, Yong Jin [Korea Institute of Radiological and Medical Sciences, KIRAMS, Seoul (Korea, Republic of); Cho, Doo Wan; Lee, Hong Soo; Han, Su Cheol [Jeonbuk Department of Inhalation Research, Korea Institute of toxicology, KRICT, Jeongeup (Korea, Republic of)

2016-12-15

These absorbed dose can calculated using the Monte Carlo transport code MCNP (Monte Carlo N-particle transport code). Internal radiotherapy absorbed dose was calculated using conventional software, such as OLINDA/EXM or Monte Carlo simulation. However, the OLINDA/EXM does not calculate individual absorbed dose and non-standard organ, such as tumor. While the Monte Carlo simulation can calculated non-standard organ and specific absorbed dose using individual CT image. External radiotherapy, absorbed dose can calculated by specific absorbed energy in specific organs using Monte Carlo simulation. The specific absorbed energy in each organ was difference between species or even if the same species. Since they have difference organ sizes, position, and density of organs. The aim of this study was to individually evaluated cobalt-60 energy deposit in mouse and monkey using Monte Carlo simulation. We evaluation of cobalt-60 energy deposit in mouse and monkey using Monte Carlo simulation. The absorbed energy in each organ compared with mouse heart was 54.6 fold higher than monkey absorbed energy in heart. Likewise lung was 88.4, liver was 16.0, urinary bladder was 29.4 fold higher than monkey. It means that the distance of each organs and organ mass was effects of the absorbed energy. This result may help to can calculated absorbed dose and more accuracy plan for external radiation beam therapy and internal radiotherapy.

Evaluation of cobalt-60 energy deposit in mouse and monkey using Monte Carlo simulation

International Nuclear Information System (INIS)

Woo, Sang Keun; Kim, Wook; Park, Yong Sung; Kang, Joo Hyun; Lee, Yong Jin; Cho, Doo Wan; Lee, Hong Soo; Han, Su Cheol

2016-01-01

These absorbed dose can calculated using the Monte Carlo transport code MCNP (Monte Carlo N-particle transport code). Internal radiotherapy absorbed dose was calculated using conventional software, such as OLINDA/EXM or Monte Carlo simulation. However, the OLINDA/EXM does not calculate individual absorbed dose and non-standard organ, such as tumor. While the Monte Carlo simulation can calculated non-standard organ and specific absorbed dose using individual CT image. External radiotherapy, absorbed dose can calculated by specific absorbed energy in specific organs using Monte Carlo simulation. The specific absorbed energy in each organ was difference between species or even if the same species. Since they have difference organ sizes, position, and density of organs. The aim of this study was to individually evaluated cobalt-60 energy deposit in mouse and monkey using Monte Carlo simulation. We evaluation of cobalt-60 energy deposit in mouse and monkey using Monte Carlo simulation. The absorbed energy in each organ compared with mouse heart was 54.6 fold higher than monkey absorbed energy in heart. Likewise lung was 88.4, liver was 16.0, urinary bladder was 29.4 fold higher than monkey. It means that the distance of each organs and organ mass was effects of the absorbed energy. This result may help to can calculated absorbed dose and more accuracy plan for external radiation beam therapy and internal radiotherapy.

Electron spin resonance study on γ-ray-induced radical species in ethylene hydrate

International Nuclear Information System (INIS)

Takeya, Kei; Sugahara, Takeshi; Ohgaki, Kazunari; Tani, Atsushi

2007-01-01

Electron spin resonance (ESR) study on γ-irradiated synthetic ethylene hydrate was performed to investigate induced radicals and their thermal stability. ESR spectra of induced 3-butenyl radical (.CH 2 C 2 H 3 =CH 2 ,g=2.0039±0.0005,A α =2.2±0.1mTandA β =3.0±0.1mT) and induced ethyl radical (.C 2 H 5 , g=2.0044±0.0005, A α =2.2±0.1mT and A β =2.7±0.1mT) were observed in irradiated ethylene hydrate. The decay of the 3-butenyl radicals was observed above 200 K with the activation energy of 51.9±4.4kJ/mol. The obvious decay of ethyl radicals starts above 240 K that is close to the dissociation temperature of ethylene hydrate at atmospheric pressure. The activation energy of the ethyl radical decay is estimated as 63.4±8.2kJ/mol and nearly equal to the enthalpy change of ethylene hydrate into liquid water and gaseous ethylene. It is suggested that the decay of ethyl radicals would be caused by the hydrate dissociation and that ethylene hydrate dissociates into water (supercooled) and ethylene at 240-265 K.

Characterization of hydroxyapatite coating by pulse laser deposition technique on stainless steel 316 L by varying laser energy

International Nuclear Information System (INIS)

Khandelwal, Himanshu; Singh, Gurbhinder; Agrawal, Khelendra; Prakash, Satya; Agarwal, R.D.

2013-01-01

Highlights: ► Hydroxyapatite coating was successfully deposited on stainless steel substrate by pulse laser deposition at different energy levels (i.e. 300 mJ and 500 mJ, respectively). ► Variation in laser energy affects the surface characteristic of hydroxyapatite coating (particle size, surface roughness, uniformity, Ca/P ratio). ► Laser energy between 300 mJ and 500 mJ is the optimal choice for obtaining ideal Ca/P ratio. - Abstract: Hydroxyapatite is an attractive biomaterial mainly used in bone and tooth implants because it closely resembles human tooth and bone mineral and has proven to be biologically compatible with these tissues. In spite of this advantage of hydroxyapatite it has also certain limitation like inferior mechanical properties which do not make it suitable for long term load bearing applications; hence a lot of research is going on in the development of hydroxyapatite coating over various metallic implants. These metallic implants have good biocompatibility and mechanical properties. The aim of the present work is to deposit hydroxyapatite coating over stainless steel grade 316 L by pulse laser deposition technique by varying laser energy. To know the effect of this variation, the coatings were than characterized in detail by X-ray diffraction, finite emission-scanning electron microscope, atomic force microscope and energy dispersive X-ray spectroscopy.

High voltage electrophoretic deposition for electrochemical energy storage and other applications

Science.gov (United States)

Santhanagopalan, Sunand

High voltage electrophoretic deposition (HVEPD) has been developed as a novel technique to obtain vertically aligned forests of one-dimensional nanomaterials for efficient energy storage. The ability to control and manipulate nanomaterials is critical for their effective usage in a variety of applications. Oriented structures of one-dimensional nanomaterials provide a unique opportunity to take full advantage of their excellent mechanical and electrochemical properties. However, it is still a significant challenge to obtain such oriented structures with great process flexibility, ease of processing under mild conditions and the capability to scale up, especially in context of efficient device fabrication and system packaging. This work presents HVEPD as a simple, versatile and generic technique to obtain vertically aligned forests of different one-dimensional nanomaterials on flexible, transparent and scalable substrates. Improvements on material chemistry and reduction of contact resistance have enabled the fabrication of high power supercapacitor electrodes using the HVEPD method. The investigations have also paved the way for further enhancements of performance by employing hybrid material systems and AC/DC pulsed deposition. Multi-walled carbon nanotubes (MWCNTs) were used as the starting material to demonstrate the HVEPD technique. A comprehensive study of the key parameters was conducted to better understand the working mechanism of the HVEPD process. It has been confirmed that HVEPD was enabled by three key factors: high deposition voltage for alignment, low dispersion concentration to avoid aggregation and simultaneous formation of holding layer by electrodeposition for reinforcement of nanoforests. A set of suitable parameters were found to obtain vertically aligned forests of MWCNTs. Compared with their randomly oriented counterparts, the aligned MWCNT forests showed better electrochemical performance, lower electrical resistance and a capability to

First Investigations on the Energy Deposited in a D0 early separation scheme Dipole for the LHC upgrade

CERN Document Server

Hoa, C

2007-01-01

This note gives the first results of energy deposition calculation on a simplified model for an early scheme separation dipole D0, located at 3.5 m from the IP. The Monte Carlo code FLUKA version 2006.3 has been used for modelling the multi-particle interactions and energy transport. After a short introduction to particle interaction with matter and power deposition processes, the FLUKA modelling is described with bench marked power deposition calculation on the TAS, the absorber located in front of the triplet quadrupoles. The power deposition results for the D0 early scheme are then discussed in details, with the averaged and peak power density, and the variations of the total heat load in the dipole with the longitudinal position and with the aperture diameter.

Dose calculation methods in photon beam therapy using energy deposition kernels

International Nuclear Information System (INIS)

Ahnesjoe, A.

1991-01-01

The problem of calculating accurate dose distributions in treatment planning of megavoltage photon radiation therapy has been studied. New dose calculation algorithms using energy deposition kernels have been developed. The kernels describe the transfer of energy by secondary particles from a primary photon interaction site to its surroundings. Monte Carlo simulations of particle transport have been used for derivation of kernels for primary photon energies form 0.1 MeV to 50 MeV. The trade off between accuracy and calculational speed has been addressed by the development of two algorithms; one point oriented with low computional overhead for interactive use and one for fast and accurate calculation of dose distributions in a 3-dimensional lattice. The latter algorithm models secondary particle transport in heterogeneous tissue by scaling energy deposition kernels with the electron density of the tissue. The accuracy of the methods has been tested using full Monte Carlo simulations for different geometries, and found to be superior to conventional algorithms based on scaling of broad beam dose distributions. Methods have also been developed for characterization of clinical photon beams in entities appropriate for kernel based calculation models. By approximating the spectrum as laterally invariant, an effective spectrum and dose distribution for contaminating charge particles are derived form depth dose distributions measured in water, using analytical constraints. The spectrum is used to calculate kernels by superposition of monoenergetic kernels. The lateral energy fluence distribution is determined by deconvolving measured lateral dose distributions by a corresponding pencil beam kernel. Dose distributions for contaminating photons are described using two different methods, one for estimation of the dose outside of the collimated beam, and the other for calibration of output factors derived from kernel based dose calculations. (au)

Most critical collimator-mask-magnet sequence in the SPS-to-LHC transfer lines: energy deposition study.

CERN Document Server

Marzo, Matteo; Lechner, Anton; Vlachoudis, Vasilis

2017-01-01

This technical note refers to a study on the relation between the impact conditions of the SPS 450GeV proton beam and the energy deposited downstream the Target Collimator Dump In- jection Long (TCDIL) collimators [1], in the SPS-to-LHC transfer lines TI2 and TI8. Such an analysis is relevant in order to simulate the worst scenario of failure, in case the beam impacts on the TCDIL collimator’s jaw, in the frame of the LHC Injectors Upgrade (LIU), in view of the High Luminosity LHC (HL-LHC) phase. Previous studies already showed the dependency of the energy deposited in the downstream masks on the collimators-masks distance [2]. In absence of a (realistic) impact parameter, we perform now a study to select the most pessimistic one, trying to understand the origin of the various components responsible for the energy deposition on the downstream mask and magnet. The set up of the Monte Carlo FLUKA [3] [4] simulations and the most relevant results will be presented in this document. A sensitivity analysis was a...

The effect of energy and momentum transfer during magnetron sputter deposition of yttrium oxide thin films

Science.gov (United States)

Xia, Jinjiao; Liang, Wenping; Miao, Qiang; Depla, Diederik

2018-05-01

The influence of the ratio between the energy and the deposition flux, or the energy per arriving atom, on the growth of Y2O3 sputter deposited thin films has been studied. The energy per arriving atom has been varied by the adjustment of the discharge power, and/or the target-to-substrate distance. The relationship between the energy per arriving atom and the phase evolution, grain size, microstructure, packing density and residual stress was investigated in detail. At low energy per arriving atom, the films consist of the monoclinic B phase with a preferential (1 1 1) orientation. A minority cubic C phase appears at higher energy per arriving atom. A study of the thin film cross sections showed for all films straight columns throughout the thickness, typically for a zone II microstructure. The intrinsic stress is compressive, and increases with increasing energy per atom. The same trend is observed for the film density. Simulations show that the momentum transfer per arriving atom also scales with the energy per arriving atom. Hence, the interpretation of the observed trends as a function of the energy per arriving atom must be treated with care.

Investigation on the recombination kinetics of the pyrolytic free-radicals in the irradiated polyimide

International Nuclear Information System (INIS)

Sun Chengyue; Wu Yiyong; Yue Long; Shi Yaping; Xiao Jingdong

2012-01-01

Highlights: ► Free radicals behavior was exposure during the irradiation and anneal during the post storage. ► Both of the recombination and oxygen reaction affect the post-annealing evolution of free radicals. ► The activation energy and the surface reaction rate were calculated by the analysis of the free radical anneal process. - Abstract: The free radical behavior of 60 and 110 keV proton-irradiated polyimide were investigated using electron paramagnetic resonance measurements. The results indicate that during proton irradiation, a type of pyrolytic carbon free radical was formed with a g value of 2.0025. The radical population was found, after proton irradiation to decrease in a combination of an exponential and linear modes with an annealing time in the range of 50–120 °C. The exponential part indicated a radical recombination process while the linear part is due to the reaction of the radical with the ambient. Using the annealing results, the recombination activation energy of the radicals was determined as 12.4 ± 0.2 and 17.6 ± 0.2 kJ/mol for 60 and 110 keV irradiated polyimide, respectively, with a surface reaction rate of about 0.02/h. It is possible that the kinetic study presented here is used as one of the criteria for predicting the optical properties of polyimide material in spacecraft. The mechanism of the free radical evolution will be discussed in this paper.

Atomic layer deposition of copper thin film and feasibility of deposition on inner walls of waveguides

Science.gov (United States)

Yuqing, XIONG; Hengjiao, GAO; Ni, REN; Zhongwei, LIU

2018-03-01

Copper thin films were deposited by plasma-enhanced atomic layer deposition at low temperature, using copper(I)-N,N‧-di-sec-butylacetamidinate as a precursor and hydrogen as a reductive gas. The influence of temperature, plasma power, mode of plasma, and pulse time, on the deposition rate of copper thin film, the purity of the film and the step coverage were studied. The feasibility of copper film deposition on the inner wall of a carbon fibre reinforced plastic waveguide with high aspect ratio was also studied. The morphology and composition of the thin film were studied by atomic force microscopy and x-ray photoelectron spectroscopy, respectively. The square resistance of the thin film was also tested by a four-probe technique. On the basis of on-line diagnosis, a growth mechanism of copper thin film was put forward, and it was considered that surface functional group played an important role in the process of nucleation and in determining the properties of thin films. A high density of plasma and high free-radical content were helpful for the deposition of copper thin films.

Molecular design of high performance fused heteroacene radical cations: A DFT study

International Nuclear Information System (INIS)

Kawabata, Hiroshi; Ohmori, Shigekazu; Matsushige, Kazumi; Tachikawa, Hiroto

2008-01-01

Hybrid density functional theory (DFT) calculations have been carried out for neutral and radical cation of fused furan oligomer, denoted by F(n) where n means number of furan rings in the oligomer, to elucidate the electronic structures at ground and low-lying excited states. A polymer of fused furan was also investigated using one-dimensional periodic boundary condition (PBC) for comparison. It was found that the reorganization energy of radical cation of F(n) from vertical hole trapping point to its relaxed structure is significantly small. Also, the reorganization energy decreased gradually with increasing n, indicating that F(n) has an effective hole transport property. It was found that the cation radical of F(n) has a low energy band at near IR region, which is strongly correlated to hole conductivity. The relation between the electronic states and hole conductivity was discussed on the basis of theoretical calculations

Photon beam convolution using polyenergetic energy deposition kernels

International Nuclear Information System (INIS)

Hoban, P.W.; Murray, D.C.; Round, W.H.

1994-01-01

In photon beam convolution calculations where polyenergetic energy deposition kernels (EDKs) are used, the primary photon energy spectrum should be correctly accounted for in Monte Carlo generation of EDKs. This requires the probability of interaction, determined by the linear attenuation coefficient, μ, to be taken into account when primary photon interactions are forced to occur at the EDK origin. The use of primary and scattered EDKs generated with a fixed photon spectrum can give rise to an error in the dose calculation due to neglecting the effects of beam hardening with depth. The proportion of primary photon energy that is transferred to secondary electrons increases with depth of interaction, due to the increase in the ratio μ ab /μ as the beam hardens. Convolution depth-dose curves calculated using polyenergetic EDKs generated for the primary photon spectra which exist at depths of 0, 20 and 40 cm in water, show a fall-off which is too steep when compared with EGS4 Monte Carlo results. A beam hardening correction factor applied to primary and scattered 0 cm EDKs, based on the ratio of kerma to terma at each depth, gives primary, scattered and total dose in good agreement with Monte Carlo results. (Author)

Manipulating radicals: Using cobalt to steer radical reactions

OpenAIRE

Chirilă, A.

2017-01-01

This thesis describes research aimed at understanding and exploiting metallo-radical reactivity and explores reactions mediated by square planar, low-spin cobalt(II) complexes. A primary goal was to uncover novel reactivity of discrete cobalt(III)-bound carbene radicals generated upon reaction of the cobalt(II) catalysts with carbene precursors. Another important goal was to replace cobalt(II)-porphyrin catalysts with cheaper and easier to prepare metallo-radical analogues. Therefore the cata...

Organic thin film transistors with polymer brush gate dielectrics synthesized by atom transfer radical polymerization

DEFF Research Database (Denmark)

Pinto, J.C.; Whiting, G.L.; Khodabakhsh, S.

2008-01-01

, synthesized by atom transfer radical polymerization (ATRP), were used to fabricate low voltage OFETs with both evaporated pentacene and solution deposited poly(3-hexylthiophene). The semiconductor-dielectric interfaces in these systems were studied with a variety of methods including scanning force microscopy...

Theoretical Investigation of Kinetic Processes in Small Radicals of Importance in Combustion

Energy Technology Data Exchange (ETDEWEB)

Alexander, Millard [Univ. of Maryland, College Park, MD (United States). Dept. of Chemistry and Biochemistry; Dagdigian, Paul J. [Johns Hopkins Univ., Baltimore, MD (United States). Dept. of Chemistry

2017-12-12

Our group studies inelastic and reactive collisions of small molecules, focusing on radicals important in combustion environments. The goal is the better understanding of kinetic processes that may be difficult to access experimentally. An essential component is the accurate determination and fitting of potential energy surfaces (PESs). After fitting the ab initio points to obtain global PESs, we treat the dynamics using time-independent (close-coupling) methods. Cross sections and rate constants for collisions of are determined with our Hibridon program suite . We have studied energy transfer (rotationally, vibrationally, and/or electronically inelastic) in small hydrocarbon radicals (CH₂ and CH₃) and the CN radical. We have made a comparison with experimental measurements of relevant rate constants for collisions of these radicals. Also, we have calculated accurate transport properties using state-of-the-art PESs and to investigate the sensitivity to these parameters in 1-dimensional flame simulations. Of particular interest are collision pairs involving the light H atom.

Exploring the dynamics of hydrogen atom release from the radical-radical reaction of O(3P) with C3H5

International Nuclear Information System (INIS)

Joo, Sun-Kyu; Kwon, Lee-Kyoung; Lee, Hohjai; Choi, Jong-Ho

2004-01-01

The gas-phase radical-radical reaction dynamics of O( 3 P)+C 3 H 5 →H( 2 S)+C 3 H 4 O was studied at an average collision energy of 6.4 kcal/mol in a crossed beam configuration. The ground-state atomic oxygen [O( 3 P)] and allyl radicals (C 3 H 5 ) were generated by the photolysis of NO 2 and the supersonic flash pyrolysis of allyl iodide, respectively. Nascent hydrogen atom products were probed by the vacuum-ultraviolet-laser induced fluorescence spectroscopy in the Lyman-α region centered at 121.6 nm. With the aid of the CBS-QB3 level of ab initio theory, it has been found that the barrierless addition of O( 3 P) to C 3 H 5 forms the energy-rich addition complexes on the lowest doublet potential energy surface, which are predicted to undergo a subsequent direct decomposition step leading to the reaction products H+C 3 H 4 O. The major counterpart C 3 H 4 O of the probed hydrogen atom is calculated to be acrolein after taking into account the factors of barrier height, reaction enthalpy, and the number of intermediates involved along the reaction pathway. The nascent H-atom Doppler profile analysis shows that the average center-of-mass translational energy of the H+C 3 H 4 O products and the fraction of the total available energy released as the translational energy were determined to be 3.83 kcal/mol and 0.054, respectively. On the basis of comparison with statistical calculations, the reaction proceeds through the formation of short-lived addition complexes rather than statistical, long-lived intermediates, and the polyatomic acrolein product is significantly internally excited at the moment of the decomposition

Exploring the dynamics of hydrogen atom release from the radical-radical reaction of O(3P) with C3H5

Science.gov (United States)

Joo, Sun-Kyu; Kwon, Lee-Kyoung; Lee, Hohjai; Choi, Jong-Ho

2004-05-01

The gas-phase radical-radical reaction dynamics of O(3P)+C3H5→H(2S)+C3H4O was studied at an average collision energy of 6.4 kcal/mol in a crossed beam configuration. The ground-state atomic oxygen [O(3P)] and allyl radicals (C3H5) were generated by the photolysis of NO2 and the supersonic flash pyrolysis of allyl iodide, respectively. Nascent hydrogen atom products were probed by the vacuum-ultraviolet-laser induced fluorescence spectroscopy in the Lyman-α region centered at 121.6 nm. With the aid of the CBS-QB3 level of ab initio theory, it has been found that the barrierless addition of O(3P) to C3H5 forms the energy-rich addition complexes on the lowest doublet potential energy surface, which are predicted to undergo a subsequent direct decomposition step leading to the reaction products H+C3H4O. The major counterpart C3H4O of the probed hydrogen atom is calculated to be acrolein after taking into account the factors of barrier height, reaction enthalpy, and the number of intermediates involved along the reaction pathway. The nascent H-atom Doppler profile analysis shows that the average center-of-mass translational energy of the H+C3H4O products and the fraction of the total available energy released as the translational energy were determined to be 3.83 kcal/mol and 0.054, respectively. On the basis of comparison with statistical calculations, the reaction proceeds through the formation of short-lived addition complexes rather than statistical, long-lived intermediates, and the polyatomic acrolein product is significantly internally excited at the moment of the decomposition.

Spatial correlation of energy deposition events in irradiated liquid water

International Nuclear Information System (INIS)

Hamm, R.N.; Wright, H.A.; Turner, J.E.; Ritchie, R.H.

1978-01-01

Monte Carlo electron transport computer code is used to study in detail the slowing down of electrons and all of their secondaries with initial energies up to 1.5 MeV in liquid water. The probability distributions for the number of ionizations and for the energy deposited in cubical volume elements from electron tracks in the water are analyzed. Both the electron energies and the sizes of the cubical cells are varied. Results are shown for electron energies between 100 eV and 10 keV and for cell sizes between 40 A and 1500 A. Good general agreement is found with results presented by Paretzke at the last symposium. The code can be used to obtain other basic distributions of importance in microdosimetry. As an example, microdosimetric single-event spectra for 500-eV electrons are computed in cubes with edges that range in size from 40 A to 200 A. The importance of correlations is shown explicitly in a comparison of secondary electrons produced by 60 Co and 50-keV photons

Free radical inactivation of trypsin

International Nuclear Information System (INIS)

Cudina, Ivana; Jovanovic, S.V.

1988-01-01

Reactivities of free radical oxidants, radical OH, Br2-anion radical and Cl 3 COO radical and a reductant, CO2-anion radical, with trypsin and reactive protein components were determined by pulse radiolysis of aqueous solutions at pH 7, 20 0 C. Highly reactive free radicals, radical OH, Br2-anion radical and CO2-anion radical, react with trypsin at diffusion controlled rates. Moderately reactive trichloroperoxy radical, k(Cl 3 COO radical + trypsin) preferentially oxidizes histidine residues. The efficiency of inactivation of trypsin by free radicals is inversely proportional to their reactivity. The yields of inactivation of trypsin by radical OH, Br2-anion radical and CO2-anion radical are low, G(inactivation) = 0.6-0.8, which corresponds to ∼ 10% of the initially produced radicals. In contrast, Cl 3 COO radical inactivates trypsin with ∼ 50% efficiency, i.e. G(inactivation) = 3.2. (author)

Deposition of thin films and surface modification by pulsed high energy density plasma

International Nuclear Information System (INIS)

Yan Pengxun; Yang Size

2002-01-01

The use of pulsed high energy density plasma is a new low temperature plasma technology for material surface treatment and thin film deposition. The authors present detailed theoretical and experimental studies of the production mechanism and physical properties of the pulsed plasma. The basic physics of the pulsed plasma-material interaction has been investigated. Diagnostic measurements show that the pulsed plasma has a high electron temperature of 10-100 eV, density of 10 14 -10 16 cm -3 , translation velocity of ∼10 -7 cm/s and power density of ∼10 4 W/cm 2 . Its use in material surface treatment combines the effects of laser surface treatment, electron beam treatment, shock wave bombardment, ion implantation, sputtering deposition and chemical vapor deposition. The metastable phase and other kinds of compounds can be produced on low temperature substrates. For thin film deposition, a high deposition ratio and strong film to substrate adhesion can be achieved. The thin film deposition and material surface modification by the pulsed plasma and related physical mechanism have been investigated. Thin film c-BN, Ti(CN), TiN, DLC and AlN materials have been produced successfully on various substrates at room temperature. A wide interface layer exists between film and substrate, resulting in strong adhesion. Metal surface properties can be improved greatly by using this kind of treatment

Electronic spectrum of 9-methylanthracenium radical cation

Energy Technology Data Exchange (ETDEWEB)

O’Connor, Gerard D.; Schmidt, Timothy W., E-mail: timothy.schmidt@unsw.edu.au [School of Chemistry, UNSW Sydney, New South Wales 2052 (Australia); Sanelli, Julian A.; Dryza, Vik; Bieske, Evan J. [School of Chemistry, The University of Melbourne, Victoria 3010 (Australia)

2016-04-21

The predissociation spectrum of the cold, argon-tagged, 9-methylanthracenium radical cation is reported from 8000 cm{sup −1} to 44 500 cm{sup −1}. The reported spectrum contains bands corresponding to at least eight electronic transitions ranging from the near infrared to the ultraviolet. These electronic transitions are assigned through comparison with ab initio energies and intensities. The infrared D{sub 1}←D{sub 0} transitions exhibit significant vibronic activity, which is assigned through comparison with TD-B3LYP excited state frequencies and intensities, as well as modelled vibronic interactions. Dissociation of 9-methylanthracenium is also observed at high visible-photon energies, resulting in the loss of either CH{sub 2} or CH{sub 3}. The relevance of these spectra, and the spectra of other polycyclic aromatic hydrocarbon radical cations, to the largely unassigned diffuse interstellar bands, is discussed.

Prospects of radical-interacting porphyrin photosensitizers and their possible use in photodynamic therapy

Science.gov (United States)

Gal, Dezso; Shuliakovskaya, T.; Vidoczy, Tamas; Elzemzam, Saleh; Vasvari, Gabor; Suemegi, L.; Kuti, Zsolt

1994-03-01

Based on literature data obtained in various fields with respect to studies on the role of free radicals in biology and on the kinetics of triplet-doublet interactions, it is suggested that excited photosensitizers react in vivo with free radicals formed in malignant tissues during photodynamic therapy (PDT) and this interaction competes with sensitizer-radical + molecule and the singlet oxygen mediated effects. Experimental results by laser flash photolysis and electron spin resonance revealed that sensitizer applied in PDT react with stable free radicals presumably both by energy transfer and electron transfer.

Electronic states of aryl radical functionalized graphenes: Density functional theory study

Science.gov (United States)

Tachikawa, Hiroto; Kawabata, Hiroshi

2016-06-01

Functionalized graphenes are known as a high-performance molecular device. In the present study, the structures and electronic states of the aryl radical functionalized graphene have been investigated by the density functional theory (DFT) method to elucidate the effects of functionalization on the electronic states of graphene (GR). Also, the mechanism of aryl radical reaction with GR was investigated. The benzene, biphenyl, p-terphenyl, and p-quaterphenyl radicals [denoted by (Bz) n (n = 1-4), where n means numbers of benzene rings in aryl radical] were examined as aryl radicals. The DFT calculation of GR-(Bz) n (n = 1-4) showed that the aryl radical binds to the carbon atom of GR, and a C-C single bond was formed. The binding energies of aryl radicals to GR were calculated to be ca. 6.0 kcal mol-1 at the CAM-B3LYP/6-311G(d,p) level. It was found that the activation barrier exists in the aryl radical addition: the barrier heights were calculated to be 10.0 kcal mol-1. The electronic states of GR-(Bz) n were examined on the basis of theoretical results.

Fluoropolymer materials and architectures prepared by controlled radical polymerizations

DEFF Research Database (Denmark)

Hansen, Natanya Majbritt Louie; Jankova Atanasova, Katja; Hvilsted, Søren

2007-01-01

This review initially summarizes the mechanisms, merits and limitations of the three controlled radical polymerizations: nitroxide mediated polymerization (NMP), atom transfer radical polymerization (ATRP) or metal catalyzed living radical polymerization, and reversible addition–fragmentation chain...... transfer (RAFT) polymerization. This is followed by two parts, one dealing with homo- and copolymerizations of fluorinated methacrylates and acrylates, and a second where fluorinated styrenes, alone or in combination with other monomers, are the main issues. In these parts, initiators (including...... properties and functionalities that can be obtained from these novel fluorinated materials and architectures are especially emphasized. Thus, various amphiphilic, biocompatible or low energy materials, fluorinated nanoparticles and nanoporous films/membranes as well as materials for submicron and nanolevel...

Central diffraction in proton-proton collisions at {radical}(s) = 7TeV with ALICE at LHC

Energy Technology Data Exchange (ETDEWEB)

Reidt, Felix [Physikalisches Institut, Im Neuenheimer Feld 226, 69120 Heidelberg (Germany); Collaboration: ALICE Collaboration

2013-04-15

A double-gap topology is used for filtering central-diffractive events from a protonproton minimum-bias data sample at a centre-of-mass energy Central diffraction in proton-proton collisions at {radical}(s) = 7TeV. This topology is defined by particle activity in the ALICE central barrel and absence of particle activity outside. The fraction of events satisfying the double-gap requirement R{sub DG} is found to be 7.63{+-}0.02(st at.){+-}0.87(syst.) Multiplication-Sign 10{sup -4}. The background of this double-gap fraction is estimated by studying the contributions of non-diffractive, single-and double-diffractive dissociation processes as modelled by Monte Carlo event generators, and is found to be about 10%.

Measurement of OH free radical in magnetized sheet plasma crossed with vertical gas-flow by laser-induced fluorescence spectroscopy

International Nuclear Information System (INIS)

Tonegawa, Akira; Takatori, Masahiko; Kobayashi, Yukihiro; Kawamura, Kazutaka; Takayama, Kazuo

1997-01-01

We demonstrated the production of OH free radicals in an argon magnetized sheet plasma crossed with vertical gas-flow mixed with an oxygen gas O 2 and a hydrogen gas H 2 . The density and the rotational-vibrational temperature of the OH free radicals were measured by a laser-induced fluorescence (LIF). The density of OH free radicals increases with increasing O 2 gas-flow, while the high energy part of the electron-energy-distribution-function f e (E) above 8 eV decreases. These results suggest the high energy part of f e (E) is contributed to the dissociation of O 2 and the production of OH free radicals. (author)

Effects of deposited nuclear and electronic energy on the hardness of R7T7-type containment glass

Energy Technology Data Exchange (ETDEWEB)

Peuget, S. [Commissariat a l' Energie Atomique, CEA Marcoule, DEN/DTCD/SECM/LMPA, Batiment 166, BP 17171, F-30207 Bagnols-sur-Ceze Cedex (France)]. E-mail: sylvain.peuget@cea.fr; Noel, P.-Y. [Commissariat a l' Energie Atomique, CEA Marcoule, DEN/DTCD/SECM/LMPA, Batiment 166, BP 17171, F-30207 Bagnols-sur-Ceze Cedex (France); Loubet, J.-L. [Laboratoire de Tribologie et Dynamique des Systemes, UMR CNRS 5513, Ecole Centrale de Lyon 36, avenue Guy de Collongue, 69134 Ecully Cedex (France); Pavan, S. [Laboratoire de Tribologie et Dynamique des Systemes, UMR CNRS 5513, Ecole Centrale de Lyon 36, avenue Guy de Collongue, 69134 Ecully Cedex (France); Nivet, P. [Commissariat a l' Energie Atomique, CEA Marcoule, DEN/DTCD/SECM/LMPA, Batiment 166, BP 17171, F-30207 Bagnols-sur-Ceze Cedex (France); Chenet, A. [Commissariat a l' Energie Atomique, CEA Marcoule, DEN/DTCD/SECM/LMPA, Batiment 166, BP 17171, F-30207 Bagnols-sur-Ceze Cedex (France)

2006-05-15

The effects of elastic and inelastic interactions induced by cumulative alpha decay on the hardness of R7T7-type nuclear containment glass were investigated on actinide-doped glass specimens and by external irradiation of inactive glass by light and heavy ions. Vickers microindentation and nanoindentation hardness measurements showed that in the deposited energy range investigated (below 3 x 10{sup 22} keV/cm{sup 3}) inelastic effects have no influence on the plastic response of the glass. Conversely, identical hardness variations versus the nuclear energy deposited in the material were observed on curium-doped glass and on glass irradiated by ion bombardment. The observed hardness variation stabilized after the deposited energy reached about 3 x 10{sup 2} keV{sub nucl}/cm{sup 3}. These findings indicate that the change in the plastic response of the glass is a consequence of ballistic effects.

Diffusion of 1,4-butanedithiol radicals on Au(111) and Au(100): A DFT-based comparison

Energy Technology Data Exchange (ETDEWEB)

Franke, Andreas; Pehlke, Eckhard [Institut fuer Theoretische Physik und Astrophysik, Universitaet Kiel, 24098 Kiel (Germany)

2010-07-01

Organic molecules chemisorbed on surfaces hold the perspective of surface functionalization. The 1,4-butanedithiol radical chemisorbed at the Au(111) or Au(100) surface serves as a model system for the S-Au molecule-substrate bond. Density functional total-energy calculations have been carried out for the chemisorption of the radical on the unreconstructed Au surfaces, which are both known to be stabilized under electrochemical conditions. Local minima with close-by energies indicate multi-valley potential-energy surfaces, which originate from the interplay between the two S-Au adsorbate-substrate bonds and the internal degrees of freedom of the butanedithiol radical. Diffusion paths of the radical on both Au surfaces have been calculated within DFT using VASP. The diffusion barriers for translation and rotation of the radical differ. They can be fine-tuned by varying the applied potential in the electrochemical cell. This is considered theoretically by inspecting the variation of the dipole moment along the reaction paths. Consequences for the dynamics of succeeding diffusion hops are discussed.

Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlation.

Science.gov (United States)

Dutta, Achintya Kumar; Dar, Manzoor; Vaval, Nayana; Pal, Sourav

2014-02-27

We report a comparative single-reference and multireference coupled-cluster investigation on the structure, potential energy surface, and IR spectroscopic properties of the trans peroxo nitrate radical, one of the key intermediates in stratospheric NOX chemistry. The previous single-reference ab initio studies predicted an unbound structure for the trans peroxo nitrate radical. However, our Fock space multireference coupled-cluster calculation confirms a bound structure for the trans peroxo nitrate radical, in accordance with the experimental results reported earlier. Further, the analysis of the potential energy surface in FSMRCC method indicates a well-behaved minima, contrary to the shallow minima predicted by the single-reference coupled-cluster method. The harmonic force field analysis, of various possible isomers of peroxo nitrate also reveals that only the trans structure leads to the experimentally observed IR peak at 1840 cm(-1). The present study highlights the critical importance of nondynamic correlation in predicting the structure and properties of high-energy stratospheric NOx radicals.

Photodissociation spectroscopy and dynamics of free radicals, clusters, and ions

Energy Technology Data Exchange (ETDEWEB)

Choi, Hyeon [Univ. of California, Berkeley, CA (United States)

1999-12-01

The photodissociation spectroscopy and dynamics of free radicals and ions is studied to characterize the dissociative electronic states in these species. To accomplish this, a special method of radical production, based on the photodetachment of the corresponding negative ion, has been combined with the technique of fast beam photofragment translational spectroscopy. The photofragment yield as a function of photon energy is obtained, mapping out the dissociative and predissociative electronic states. Branching ratios to various product channels, the translational energy distributions of the fragments, and bond dissociation energies are then determined at selected photon energies. The detailed picture of photodissociation dynamics is provided with the aid of ab initio calculations and a statistical model to interpret the observed data. Important reaction intermediates in combustion reactions have been studied: CCO, C₂H₅O, and linear C_n (n = 4--6).

A Metallurgical Investigation of the Direct Energy Deposition Surface Repair of Ferrous Alloys

Science.gov (United States)

Marya, Manuel; Singh, Virendra; Hascoet, Jean-Yves; Marya, Surendar

2018-02-01

Among additive manufacturing (AM) processes, the direct energy deposition (DED) by laser is explored to establish its applicability for the repair of ferrous alloys such as UNS G41400 low-alloy steel, UNS S41000 martensitic stainless steel, UNS S17400 precipitation-strengthened martensitic stainless steel, and UNS S32750 super-duplex stainless steel. Unlike plating, thermal spray, and conventional cladding weld, DED laser powder deposition offers potential advantages, e.g., thin deposits, limited dilutions, narrow heat-affected zones (HAZ), potentially improved surface properties. In this investigation, all AM deposits were completed with an IREPA CLAD™ system using a powder feed of UNS N06625, an alloy largely selected for its outstanding corrosion resistance. This investigation first addresses topological aspects of AM deposits (including visual imperfections) before focusing on changes in microstructure, microhardness, chemical composition across AM deposits and base materials. It has been established that dense, uniform, hard ( 300 HVN), crack-free UNS N06625-compliant AM deposits of fine dendritic microstructures are reliably produced. However, except for the UNS S32750 steel, a significant martensitic hardening was observed in the HAZs of UNS G41400 ( 650 HVN), UNS S41000 ( 500 HVN), and UNS S17400 ( 370 HVN). In summary, this investigation demonstrates that the DED laser repair of ferrous parts with UNS N06625 may restore damaged surfaces, but it also calls for cautions and complementary investigations for alloys experiencing a high HAZ hardening, for which industry standard recommendations are exceeded and lead to an increased risk of delayed cracking in corrosive environments.

Conversion of alkyl radicals to allyl radicals in irradiated single crystal mats of polyethylene

International Nuclear Information System (INIS)

Fujimura, T.; Hayakawa, N.; Kuriyama, I.

1978-01-01

The decay of alkyl radicals, the conversion of alkyl radicals to allyl radicals and the trapping of allyl radicals in irradiated single crystal mats of polyethylene have been studied by electron spin resonance (e.s.r.). It has been suggested that in the crystal core alkyl radicals react with trans-vinylene double bonds and are converted into trans-vinylene allyl radicals; at the crystal surface, alkyl radicals react with vinyl end groups and are converted into allyl radicals with vinyl end groups. The decay of radical pairs and the formation of trans-vinylene double bonds are discussed. (author)

Energy deposited in the high luminosity inner triplets of the LHC by collision debris

International Nuclear Information System (INIS)

Wildner, E.; Broggi, F.; Cerutti, F.; Ferrari, A.; Hoa, C.; Koutchouk, J.-P.; Mokhov, N.V.

2008-01-01

The 14 TeV center of mass proton-proton collisions in the LHC produce not only debris interesting for physics but also showers of particles ending up in the accelerator equipment, in particular in the superconducting magnet coils. Evaluations of this contribution to the heat, that has to be transported by the cryogenic system, have been made to guarantee that the energy deposition in the superconducting magnets does not exceed limits for magnet quenching and the capacity of the cryogenic system. The models of the LHC base-line are detailed and include description of, for energy deposition, essential elements like beam-pipes and corrector magnets. The evaluations made using the Monte-Carlo code FLUKA are compared to previous studies using MARS. For the consolidation of the calculations, a dedicated comparative study of these two codes was performed for a reduced setup

Atmospheric chemistry of CF3O radicals: Reaction with H2O

DEFF Research Database (Denmark)

Wallington, T.J.; Hurley, M.D.; Schneider, W.F.

1993-01-01

Evidence is presented that CF3O radicals react with H2O in the gas phase at 296 K to give CF3OH and OH radicals. This reaction is calculated to be exothermic by 1.7 kcal mol-I implying a surprisingly strong CF3O-H bond energy of 120 +/- 3 kcal mol-1. Results from a relative rate experimental study...... suggest that the rate constant for the reaction of CF3O radicals with H2O lies in the range (0.2-4.0) X 10(-17) cm3 molecule-1 s-1. Implications for the atmospheric chemistry of CF3O radicals are discussed....

Thermally induced dispersion mechanisms for aluminum-based plate-type fuels under rapid transient energy deposition

International Nuclear Information System (INIS)

Georgevich, V.; Taleyarkham, R.P.; Navarro-Valenti, S.; Kim, S.H.

1995-01-01

A thermally induced dispersion model was developed to analyze for dispersive potential and determine onset of fuel plate dispersion for Al-based research and test reactor fuels. Effect of rapid energy deposition in a fuel plate was simulated. Several data types for Al-based fuels tested in the Nuclear Safety Research Reactor in Japan and in the Transient Reactor Test in Idaho were reviewed. Analyses of experiments show that onset of fuel dispersion is linked to a sharp rise in predicted strain rate, which futher coincides with onset of Al vaporization. Analysis also shows that Al oxidation and exothermal chemical reaction between the fuel and Al can significantly affect the energy deposition characteristics, and therefore dispersion onset connected with Al vaporization, and affect onset of vaporization

GC-MS analysis of ethanol solution with D2O as solvent implanted by low energy N+

International Nuclear Information System (INIS)

Shi Huaibin; Shao Chunlin; Yu Zengliang

2001-10-01

Low energy ions were produced by N 2 glow-discharge. The positive ones were accelerated into ethanol solution with D 2 O as solvent to induce chemical reactions. GC-MS analysis showed that DCH 2 CH 2 OH, HOCH 2 CH 2 OD were produced by such kind of implantation. Thus, it was proved that the reaction was mainly caused by radicals generated by decomposition of water molecules, D . and . OD played an important role in the process. Meanwhile, CH 3 COOD and HOCH 2 CH 2 ND 2 were also found in the products, so it was concluded that the reaction was carried out under an oxidative atmosphere, which was thought to be probably related to . OD radicals, too. The capture of D from D 2 O by N + to form . ND 2 radicals was not only an initial step to produce HOCH 2 CH 2 ND 2 but also served as a probable pattern for 'nitrogen deposition'. All these were helpful to reveal the mechanism of the reaction induced by low energy N + implanting into solution samples

The dissociation of vibrationally excited CH3OSO radicals and their photolytic precursor, methoxysulfinyl chloride.

Science.gov (United States)

Alligood, Bridget W; Womack, Caroline C; Straus, Daniel B; Blase, Frances R; Butler, Laurie J

2011-05-21

The dissociation dynamics of methoxysulfinyl radicals generated from the photodissociation of CH(3)OS(O)Cl at 248 nm is investigated using both a crossed laser-molecular beam scattering apparatus and a velocity map imaging apparatus. There is evidence of only a single photodissociation channel of the precursor: S-Cl fission to produce Cl atoms and CH(3)OSO radicals. Some of the vibrationally excited CH(3)OSO radicals undergo subsequent dissociation to CH(3) + SO(2). The velocities of the detected CH(3) and SO(2) products show that the dissociation occurs via a transition state having a substantial barrier beyond the endoergicity; appropriately, the distribution of velocities imparted to these momentum-matched products is fit by a broad recoil kinetic energy distribution extending out to 24 kcal/mol in translational energy. Using 200 eV electron bombardment detection, we also detect the CH(3)OSO radicals that have too little internal energy to dissociate. These radicals are observed both at the parent CH(3)OSO(+) ion as well as at the CH(3)(+) and SO(2)(+) daughter ions; they are distinguished by virtue of the velocity imparted in the original photolytic step. The detected velocities of the stable radicals are roughly consistent with the calculated barriers (both at the CCSD(T) and G3B3 levels of theory) for the dissociation of CH(3)OSO to CH(3) + SO(2) when we account for the partitioning of internal energy between rotation and vibration as the CH(3)OSOCl precursor dissociates. © 2011 American Institute of Physics.

Guest Editorial: Processes of Radicalization and De-Radicalization

Directory of Open Access Journals (Sweden)

Donatella Della Porta

2012-05-01

Full Text Available The study of radicalization and de-radicalization, understood as processes leading towards the increased or decreased use of political violence, is central to the question of how political violence emerges, how it can be prevented, and how it can be contained. The focus section of this issue of the International Journal of Conflict and Violence addresses radicalization and de-radicalization, seeking to develop a more comprehensive understanding of the processes, dynamics, and mechanisms involved and taking an interdisciplinary approach to overcome the fragmentation into separate disciplines and focus areas. Contributions by Pénélope Larzillière, Felix Heiduk, Bill Kissane, Hank Johnston, Christian Davenport and Cyanne Loyle, Veronique Dudouet, and Lasse Lindekilde address repressive settings, legitimacy, institutional aspects, organizational outcomes, and dynamics in Europe, Asia, Africa, and North and South America.

Investigation of the O+allyl addition/elimination reaction pathways from the OCH2CHCH2 radical intermediate

International Nuclear Information System (INIS)

FitzPatrick, Benjamin L.; Lau, K.-C.; Butler, Laurie J.; Lee, S.-H.; Lin, Jim Jr-Min

2008-01-01

These experiments study the preparation of and product channels resulting from OCH 2 CHCH 2 , a key radical intermediate in the O+allyl bimolecular reaction. The data include velocity map imaging and molecular beam scattering results to probe the photolytic generation of the radical intermediate and the subsequent pathways by which the radicals access the energetically allowed product channels of the bimolecular reaction. The photodissociation of epichlorohydrin at 193.3 nm produces chlorine atoms and c-OCH 2 CHCH 2 radicals; these undergo a facile ring opening to the OCH 2 CHCH 2 radical intermediate. State-selective resonance-enhanced multiphoton ionization (REMPI) detection resolves the velocity distributions of ground and spin-orbit excited state chlorine independently, allowing for a more accurate determination of the internal energy distribution of the nascent radicals. We obtain good agreement detecting the velocity distributions of the Cl atoms with REMPI, vacuum ultraviolet (VUV) photoionization at 13.8 eV, and electron bombardment ionization; all show a bimodal distribution of recoil kinetic energies. The dominant high recoil kinetic energy feature peaks near 33 kcal/mol. To elucidate the product channels resulting from the OCH 2 CHCH 2 radical intermediate, the crossed laser-molecular beam experiment uses VUV photoionization and detects the velocity distribution of the possible products. The data identify the three dominant product channels as C 3 H 4 O (acrolein)+H, C 2 H 4 +HCO (formyl radical), and H 2 CO (formaldehyde)+C 2 H 3 . A small signal from C 2 H 2 O (ketene) product is also detected. The measured velocity distributions and relative signal intensities at m/e=27, 28, and 29 at two photoionization energies show that the most exothermic product channel, C 2 H 5 +CO, does not contribute significantly to the product branching. The higher internal energy onset of the acrolein+H product channel is consistent with the relative barriers en route to

Investigation of the O+allyl addition/elimination reaction pathways from the OCH2CHCH2 radical intermediate

Science.gov (United States)

Fitzpatrick, Benjamin L.; Lau, Kai-Chung; Butler, Laurie J.; Lee, Shih-Huang; Lin, Jim-Min, Jr.

2008-08-01

These experiments study the preparation of and product channels resulting from OCH2CHCH2, a key radical intermediate in the O+allyl bimolecular reaction. The data include velocity map imaging and molecular beam scattering results to probe the photolytic generation of the radical intermediate and the subsequent pathways by which the radicals access the energetically allowed product channels of the bimolecular reaction. The photodissociation of epichlorohydrin at 193.3 nm produces chlorine atoms and c-OCH2CHCH2 radicals; these undergo a facile ring opening to the OCH2CHCH2 radical intermediate. State-selective resonance-enhanced multiphoton ionization (REMPI) detection resolves the velocity distributions of ground and spin-orbit excited state chlorine independently, allowing for a more accurate determination of the internal energy distribution of the nascent radicals. We obtain good agreement detecting the velocity distributions of the Cl atoms with REMPI, vacuum ultraviolet (VUV) photoionization at 13.8 eV, and electron bombardment ionization; all show a bimodal distribution of recoil kinetic energies. The dominant high recoil kinetic energy feature peaks near 33 kcal/mol. To elucidate the product channels resulting from the OCH2CHCH2 radical intermediate, the crossed laser-molecular beam experiment uses VUV photoionization and detects the velocity distribution of the possible products. The data identify the three dominant product channels as C3H4O (acrolein)+H, C2H4+HCO (formyl radical), and H2CO (formaldehyde)+C2H3. A small signal from C2H2O (ketene) product is also detected. The measured velocity distributions and relative signal intensities at m/e=27, 28, and 29 at two photoionization energies show that the most exothermic product channel, C2H5+CO, does not contribute significantly to the product branching. The higher internal energy onset of the acrolein+H product channel is consistent with the relative barriers en route to each of these product channels

Metal-catalyzed living radical polymerization and radical polyaddition for precision polymer synthesis

Energy Technology Data Exchange (ETDEWEB)

Mizutani, M; Satoh, K [Department of Applied Chemistry, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Kamigaito, M, E-mail: kamigait@apchem.nagoya-u.ac.j

2009-08-01

The metal-catalyzed radical addition reaction can be evolved into two different polymerization mechanisms, i.e.; chain- and step-growth polymerizations, while both the polymerizations are based on the same metal-catalyzed radical formation reaction. The former is a widely employed metal-catalyzed living radical polymerization or atom transfer radical polymerization of common vinyl monomers, and the latter is a novel metal-catalyzed radical polyaddition of designed monomer with an unconjugated C=C double bond and a reactive C-Cl bond in one molecule. The simultaneous ruthenium-catalyzed living radical polymerization of methyl acrylate and radical polyaddition of 3-butenyl 2-chloropropionate was achieved with Ru(Cp*)Cl(PPh{sub 3}){sub 2} to afford the controlled polymers, in which the homopolymer segments with the controlled chain length were connected by the ester linkage.

Determination of the barrier height for acetyl radical dissociation from acetyl chloride photodissociation at 235 nm using velocity map imaging.

Science.gov (United States)

Tang, Xiaonan; Ratliff, Britni J; FitzPatrick, Benjamin L; Butler, Laurie J

2008-12-18

This work uses velocity map imaging to determine the barrier height for acetyl radical, CH3CO, dissociation to CH3 + CO. Photodissociation of acetyl chloride at 235 nm generates acetyl radicals with an internal energy distribution spanning this barrier. We determine the velocity and internal energy distribution of all nascent acetyl radicals, stable and unstable, by measuring the velocities of the Cl(2P3/2) and Cl(2P1/2) cofragments. These Cl cofragments are detected with 2 + 1 resonance-enhanced multiphoton ionization (REMPI) in a spin-orbit branching ratio Cl(2P3/2):Cl(2P1/2) of 3.3 +/- 0.2. Using 157 nm photoionization, we then detect the recoil velocities of the energetically stable acetyl radicals. The radicals and momentum matched Cl atoms evidence parallel angular distributions. Comparison of the total recoil translational energy distribution P(E(T)) for all radicals to that obtained from the detection of stable radicals yields an onset for dissociation at a translational energy of 25.0 +/- 0.4 kcal/mol. From this onset we can calculate the barrier height for CH3CO --> CH3 + CO, but this relies on prior determinations of the C-Cl bond energy of acetyl chloride. Using an experimental bond dissociation energy of 83.4 +/- 0.2 kcal/mol yields a dissociation barrier of 14.2 +/- 0.5 kcal/mol. Our data evidence that a portion of the acetyl radicals formed with total internal energy above the barrier are stable due to the partitioning of energy into rotation during the C-Cl bond fission of the precursor. Thus, the internal energy onset for dissociation is not as sharp as was assumed in prior determinations of the barrier. The experimentally determined onset is compared with that predicted from electronic structure calculations at the G3//B3LYP and CCSD(T) levels of theory.

The role of Energy Deposition in the Epitaxial Layer in Triggering SEGR in Power MOSFETs

Science.gov (United States)

Selva, L.; Swift, G.; Taylor, W.; Edmonds, L.

1999-01-01

In these SEGR experiments, three identical-oxide MOSFET types were irradiated with six ions of significantly different ranges. Results show the prime importance of the total energy deposited in the epitaxial layer.

Measurements of the Energy Deposition Profile for 238U Ions with Energy 500 and 950 MEV/U in Stainless Steel and Copper Targets

CERN Document Server

Mustafin, Edil; Gnutov, A; Golubev, Alexander; Hofmann, Ingo; Kantsyrev, Alexei; Kunin, Andrey; Latysheva, Ludmila N; Luckjashin, Victor; Panova, Yulia; Schardt, Dieter; Sobolevskiy, Nikolai; Vatulin, Vladimir; Weyrich, Karin

2005-01-01

Sub-millimeter wall thickness is foreseen for the vacuum tubes in the magnets of the superconducting dipoles of the SIS100 and SIS300 of the FAIR Project. The Bragg peak of the energy deposition by the U ions in these walls may lie dangerously close to the superconducting cables. Thus the precise knowledge of the dE/dx profile is essential for estimating the heat load by the lost ions in the vicinity of the superconducting wires. Here we present the results of the measurement of the U ion beam energy deposition profile in Cu and stainless steel targets and compare the measured data with the Monte-Carlo simulation using the SHIELD code.

Energy deposition around swift proton tracks in polymethylmethacrylate: How much and how far

Science.gov (United States)

Dapor, Maurizio; Abril, Isabel; de Vera, Pablo; Garcia-Molina, Rafael

2017-08-01

The use of proton beams in several modern technologies to probe or modify the properties of materials, such as proton beam lithography or ion beam cancer therapy, requires us to accurately know the extent to which the energy lost by the swift projectiles in the medium is redistributed radially around their tracks, since this determines several endpoints, such as the resolution of imaging or manufacturing techniques, or even the biological outcomes of radiotherapy. In this paper, the radial distribution of the energy deposited around swift-proton tracks in polymethylmethacrylate (PMMA) by the transport of secondary electrons is obtained by means of a detailed Monte Carlo simulation. The initial energy and angular distributions of the secondary electrons generated by proton impact, as well as the electronic cross sections for the ejection of these electrons, are reliably calculated in the framework of the dielectric formalism, where a realistic electronic excitation spectrum of PMMA is accounted for. The cascade of all secondary electrons generated in PMMA is simulated taking into account the main interactions that occur between these electrons and the condensed phase target. After analyzing the influence that several angular distributions of the electrons generated by the proton beam have on the resulting radial profiles of deposited energy, we conclude that the widely used Rudd and Kim formula should be replaced by the simpler isotropic angular distribution, which leads to radial energy distributions comparable to the ones obtained from more realistic angular distributions. By studying the dependence of the radial dose on the proton energy we recommend lower proton energies than previously published for reducing proximity effects around a proton track. The obtained results are of relevance for assessing the resolution limits of proton beam based imaging and manufacturing techniques.

Analysis of agronomical constraints in connection with the utilisation of straw as an energy source. Final report. Analyse des contraintes agronomiques liees a l'utilisation des pailles comme source d'energie. Rapport final

Energy Technology Data Exchange (ETDEWEB)

Chassin, P

1985-01-01

The main objectives of the researches proposed by several French INRA (Institut National de la Recherche Agronomique) teams can be outlined in the following manner: Impact evaluations upon the soil properties of a radical modification in the organic stock management (due to the use of by products as energy feedstocks). Definition of an agronomically safe (limited) 'biomass deposit' for energy production and an optimum management of vegetable biomass in terms of both energetic and agricultural purposes. Study of the socio-economic consequences of the introduction of new energy paths within rural areas subject to intensive or extensive farming practices. Development of economic methods for analyzing and forecasting the costs of new energy paths.

Investigation of deposition characteristics and properties of high-rate deposited silicon nitride films prepared by atmospheric pressure plasma chemical vapor deposition

International Nuclear Information System (INIS)

Kakiuchi, H.; Nakahama, Y.; Ohmi, H.; Yasutake, K.; Yoshii, K.; Mori, Y.

2005-01-01

Silicon nitride (SiN x ) films have been prepared at extremely high deposition rates by the atmospheric pressure plasma chemical vapor deposition (AP-PCVD) technique on Si(001) wafers from gas mixtures containing He, H 2 , SiH 4 and N 2 or NH 3 . A 150 MHz very high frequency (VHF) power supply was used to generate high-density radicals in the atmospheric pressure plasma. Deposition rate, composition and morphology of the SiN x films prepared with various deposition parameters were studied by scanning electron microscopy and Auger electron spectroscopy. Fourier transformation infrared (FTIR) absorption spectroscopy was also used to characterize the structure and the chemical bonding configurations of the films. Furthermore, etching rate with buffered hydrofluoric acid (BHF) solution, refractive index and capacitance-voltage (C-V) characteristics were measured to evaluate the dielectric properties of the films. It was found that effective passivation of dangling bonds and elimination of excessive hydrogen atoms at the film-growing surface seemed to be the most important factor to form SiN x film with a dense Si-N network. The C-V curve of the optimized film showed good interface properties, although further improvement was necessary for use in the industrial metal-insulator-semiconductor (MIS) applications

Epr, structural characteristics and intramolecular movements of some phenoxyl radicals in toluene

OpenAIRE

Nizameev, I.; Pudovkin, M.; Kadirov, M.

2010-01-01

The method of electron paramagnetic resonance (EPR) spectroscopy was used for studying magnetic and dynamic properties of phenoxyl radicals in toluene at 170-370 K. Characteristics of intramolecular motion and structure of phenoxyl radicals were determined from the temperature dependence of EPR spectra. For all the given compounds the activation energies of transitions between the conformers were calculated.

Transmission electron microscopy study of ion energy deposition in gold: evidence for a spike threshold

International Nuclear Information System (INIS)

Ruault, M.O.; Bernas, H.; Chaumont, J.

1978-01-01

Nine different atomic species, from K to Yb, were implanted into gold at energies ranging from 20 to 150 keV. The nature and depth-distribution of the resultant defect clusters were studied by transmission electron microscopy techniques as well as a modification of the '2 1/2-D' stereo technique developed by Mitchell and Bell. The effect of implanted ion dose and sample purity were determined. The cluster depth distributions are in overall agreement with the damage distributions deduced from the energy deposition calculations of Winterbon, Sigmund, and Sanders. The nature of the defect clusters is found to depend on the mass and energy of the incoming ion, in agreement with our previously reported work. These results are suggested to provide evidence for the decisive influence of the deposited energy density on the nature of visible damage. We conclude that it is possible to distinguish between cascade and 'spike' effects, the latter setting in when the average energy per atom in the cascade is approximately 2 eV/atom. All results (obtained -at low doses on pure samples- for a variety of ion species in Au, Al, Cu, W, Mo and Ni) may be related to each other in this way

Epitaxial growth of GaN by radical-enhanced metalorganic chemical vapor deposition (REMOCVD) in the downflow of a very high frequency (VHF) N2/H2 excited plasma - effect of TMG flow rate and VHF power

Science.gov (United States)

Lu, Yi; Kondo, Hiroki; Ishikawa, Kenji; Oda, Osamu; Takeda, Keigo; Sekine, Makoto; Amano, Hiroshi; Hori, Masaru

2014-04-01

Gallium nitride (GaN) films have been grown by using our newly developed Radical-Enhanced Metalorganic Chemical Vapor Deposition (REMOCVD) system. This system has three features: (1) application of very high frequency (60 MHz) power in order to increase the plasma density, (2) introduction of H2 gas together with N2 gas in the plasma discharge region to generate not only nitrogen radicals but also active NHx molecules, and (3) radical supply under remote plasma arrangement with suppression of charged ions and photons by employing a Faraday cage. Using this new system, we have studied the effect of the trimethylgallium (TMG) source flow rate and of the plasma generation power on the GaN crystal quality by using scanning electron microscopy (SEM) and double crystal X-ray diffraction (XRD). We found that this REMOCVD allowed the growth of epitaxial GaN films of the wurtzite structure of (0001) orientation on sapphire substrates with a high growth rate of 0.42 μm/h at a low temperature of 800 °C. The present REMOCVD is a promising method for GaN growth at relatively low temperature and without using costly ammonia gas.

Oxygen Barrier Coating Deposited by Novel Plasma-enhanced Chemical Vapor Deposition

DEFF Research Database (Denmark)

Jiang, Juan; Benter, M.; Taboryski, Rafael Jozef

2010-01-01

We report the use of a novel plasma-enhanced chemical vapor deposition chamber with coaxial electrode geometry for the SiOx deposition. This novel plasma setup exploits the diffusion of electrons through the inner most electrode to the interior samples space as the major energy source. This confi......We report the use of a novel plasma-enhanced chemical vapor deposition chamber with coaxial electrode geometry for the SiOx deposition. This novel plasma setup exploits the diffusion of electrons through the inner most electrode to the interior samples space as the major energy source...... effect of single-layer coatings deposited under different reaction conditions was studied. The coating thickness and the carbon content in the coatings were found to be the critical parameters for the barrier property. The novel barrier coating was applied on different polymeric materials...

Local Measurement of Fuel Energy Deposition and Heat Transfer Environment During Fuel Lifetime Using Controlled Calorimetry

International Nuclear Information System (INIS)

Don W. Miller; Andrew Kauffmann; Eric Kreidler; Dongxu Li; Hanying Liu; Daniel Mills; Thomas D. Radcliff; Joseph Talnagi

2001-01-01

A comprehensive description of the accomplishments of the DOE grant titled, ''Local Measurement of Fuel Energy Deposition and Heat Transfer Environment During Fuel Lifetime using Controlled Calorimetry''

Abstraction of iodine from aromatic iodides by alkyl radicals: steric and electronic effects.

Science.gov (United States)

Dolenc, Darko; Plesnicar, Bozo

2006-10-13

Abstraction of the iodine atom from aryl iodides by alkyl radicals takes place in some cases very efficiently despite the unfavorable difference in bond dissociation energies of C-I bonds in alkyl and aryl iodides. The abstraction is most efficient in iodobenzenes, ortho-substituted with bulky groups. The ease of abstraction can be explained by the release of steric strain during the elimination of the iodine atom. The rate of abstraction correlates fairly well with the strain energy, calculated by density functional theory (DFT) and Hartree-Fock (HF) methods as a difference in the total energy of ortho and para isomers. However, besides the steric bulk, the presence of some other functional groups in an ortho substituent also influences the rate. The stabilization of the transition state, resembling a 9-I-2 iodanyl radical, by electron-withdrawing groups seems to explain a positive sign of the Hammett rho value in the radical abstraction of halogen atoms.

The reactions of SO3 with HO2 radical and H2O...HO2 radical complex. Theoretical study on the atmospheric formation of HSO5 and H2SO4.

Science.gov (United States)

Gonzalez, Javier; Torrent-Sucarrat, Miquel; Anglada, Josep M

2010-03-07

The influence of a single water molecule on the gas-phase reactivity of the HO(2) radical has been investigated by studying the reactions of SO(3) with the HO(2) radical and with the H(2)O...HO(2) radical complex. The naked reaction leads to the formation of the HSO(5) radical, with a computed binding energy of 13.81 kcal mol(-1). The reaction with the H(2)O...HO(2) radical complex can give two different products, namely (a) HSO(5) + H(2)O, which has a binding energy that is computed to be 4.76 kcal mol(-1) more stable than the SO(3) + H(2)O...HO(2) reactants (Delta(E + ZPE) at 0K) and an estimated branching ratio of about 34% at 298K and (b) sulfuric acid and the hydroperoxyl radical, which is computed to be 10.51 kcal mol(-1) below the energy of the reactants (Delta(E + ZPE) at 0K), with an estimated branching ratio of about 66% at 298K. The fact that one of the products is H(2)SO(4) may have relevance in the chemistry of the atmosphere. Interestingly, the water molecule acts as a catalyst, [as it occurs in (a)] or as a reactant [as it occurs in (b)]. For a sake of completeness we have also calculated the anharmonic vibrational frequencies for HO(2), HSO(5), the HSO(5)...H(2)O hydrogen bonded complex, H(2)SO(4), and two H(2)SO(4)...H(2)O complexes, in order to help with the possible experimental identification of some of these species.

Non-linear, non-monotonic effect of nano-scale roughness on particle deposition in absence of an energy barrier: Experiments and modeling

Science.gov (United States)

Jin, Chao; Glawdel, Tomasz; Ren, Carolyn L.; Emelko, Monica B.

2015-12-01

Deposition of colloidal- and nano-scale particles on surfaces is critical to numerous natural and engineered environmental, health, and industrial applications ranging from drinking water treatment to semi-conductor manufacturing. Nano-scale surface roughness-induced hydrodynamic impacts on particle deposition were evaluated in the absence of an energy barrier to deposition in a parallel plate system. A non-linear, non-monotonic relationship between deposition surface roughness and particle deposition flux was observed and a critical roughness size associated with minimum deposition flux or “sag effect” was identified. This effect was more significant for nanoparticles (<1 μm) than for colloids and was numerically simulated using a Convective-Diffusion model and experimentally validated. Inclusion of flow field and hydrodynamic retardation effects explained particle deposition profiles better than when only the Derjaguin-Landau-Verwey-Overbeek (DLVO) force was considered. This work provides 1) a first comprehensive framework for describing the hydrodynamic impacts of nano-scale surface roughness on particle deposition by unifying hydrodynamic forces (using the most current approaches for describing flow field profiles and hydrodynamic retardation effects) with appropriately modified expressions for DLVO interaction energies, and gravity forces in one model and 2) a foundation for further describing the impacts of more complicated scales of deposition surface roughness on particle deposition.

Study of lead isotopes for investigating the origin of endogenic deposits with special reference to some ore deposits from India

International Nuclear Information System (INIS)

Chernyshev, I.V.; Safonov, Yu. G.; Radhakrishna, B.P.; Vasudev, V.N.; Krishna Rao, B.; Deb, M.

1980-01-01

The isotope composition of leads from ore deposits in general reflects the age of ore mineralisation and its genetical features. Calculations of the model age from lead isotope data form the basis for genetic reconstructions of Precambrain deposits. Radical improvement in the accuracy of mass spectrometric isotope lead analysis has made possible the employment of two-stage and in some cases more complicated models for genetic reconstructions. Fifteen galena samples from five sulphide and gold-sulphide deposits of the Indian Shield have been selected and determination of lead isotope composition has been carried out in the USSR using recently developed M.I.1320 Mass Spectrometer. The isotopic ratios of galena from Ingaldhal copper deposit are the most primitive among the analysed ores of the Indian Shield. The results of lead isotopic determination have been interpreted in terms of the general theory of 'plumbotectonics'. (auth.)

Optimization of the LHC interaction region with respect to beam-induced energy deposition

International Nuclear Information System (INIS)

Mokhov, N.V.; Strait, J.B.

1996-06-01

Energy deposition in the superconducting magnets by particles from p- p collisions is a significant challenge for the design of the LHC high luminosity insertions. We have studies the dependence of the energy deposition on the apertures and strengths of insertion magnets and on the placement of absorbers in front of and within the quadrupoles. Monte Carlo simulations were made using the code DTUJET to generate 7x7 TeV p-p events and the code MARS to follow hadronic and electromagnetic cascades induced in the insertion components. The 3D geometry and magnetic field descriptions of the LHC-4.1 lattice were used. With a quadrupole coil aperture ≥70 mm, absorbers can be placed within the magnet bore which reduce the peak power density, at full luminosity, below 0.5 mW/g, a level that should allow the magnets to operate at their design field. The total heat load can be removed by a cooling system similar to that used in the main magnets

Influence of Energy and Temperature in Cluster Coalescence Induced by Deposition

Directory of Open Access Journals (Sweden)

J. C. Jiménez-Sáez

2012-01-01

Full Text Available Coalescence induced by deposition of different Cu clusters on an epitaxial Co cluster supported on a Cu(001 substrate is studied by constant-temperature molecular dynamics simulations. The degree of epitaxy of the final system increases with increasing separation between the centres of mass of the projectile and target clusters during the collision. Structure, roughness, and epitaxial order of the supported cluster also influence the degree of epitaxy. The effect of energy and temperature is determinant on the epitaxial condition of the coalesced cluster, especially both factors modify the generation, growth and interaction among grains. A higher temperature favours the epitaxial growth for low impact parameters. A higher energy contributes to the epitaxial coalescence for any initial separation between the projectile and target clusters. The influence of projectile energy is notably greater than the influence of temperature since higher energies allow greater and instantaneous atomic reorganizations, so that the number of arisen grains just after the collision becomes smaller. The appearance of grain boundary dislocations is, therefore, a decisive factor in the epitaxial growth of the coalesced cluster.

Radical Change by Entrepreneurial Design

National Research Council Canada - National Science Library

Roberts, Nancy C

1998-01-01

.... How radical change in public policy has occurred in the past is then documented. We find examples of radical change by chance, radical change by consensus, radical change by learning, and radical change by entrepreneurial design...

TH-CD-201-07: Experimentally Investigating Proton Energy Deposition On the Microscopic Scale Using Fluorescence Nuclear Track Detectors

Energy Technology Data Exchange (ETDEWEB)

Underwood, T [Massachusetts General Hospital and Harvard Medical School, Boston, MA (United States); University College London, London (United Kingdom); McFadden, C; Sawakuchi, G [The University of Texas MD Anderson Cancer Center, Houston, TX (United States); Trenholm, D [Massachusetts General Hospital, Boston, MA (United States); Verburg, J; Paganetti, H; Schuemann, J [Massachusetts General Hospital and Harvard Medical School, Boston, MA (United States)

2016-06-15

Purpose: In order to further understand the interplay between proton physics and radiobiology it is necessary to consider proton energy deposition on the microscopic scale. In this work we used Fluorescent Nuclear Track Detectors (FNTDs) to experimentally investigate proton energy deposition, track-by-track. Methods: We irradiated 8×4×0.5mm{sup 3} FNTD chips (Landauer Inc) at seven water depths along a pristine proton Bragg peak with range=12cm. After irradiation, the FNTDs were scanned using a confocal microscope (FV1200, Olympus) with a high-power red laser and an oil-immersion objective lens (UPLSAPO60XO, NA=1.35). 10 slice image stacks were acquired with a slice-thickness of 2µm at multiple positions across each FNTD. Image-based analyses of track radius and track “mass” (integrated signal intensity) were performed using trackpy. For comparison, Monte Carlo simulated data were obtained using TOPAS and TOPAS-nBio. Results: Excellent correlation was observed between median track mass and TOPAS dose-averaged linear energy transfer. The resolution of the imaging system was determined insufficient to detect a relationship between track radius and exposure depth. Histograms of track mass (i) displayed strong repeatability across positions within an FNTD and (ii) varied in peak position and shape as a function of depth. TOPAS-nBio simulations implemented on the nanometer scale using physics lists from GEANT4-DNA yielded energy deposition distributions for individual protons and electrons scored within a virtual FNTD. Good agreement was found between these simulated datasets and the FNTD track mass distributions. Conclusion: Robust experimental measurements of the integral energy deposited by individual proton tracks can be performed using FNTDs. Monte Carlo simulations offer an exceedingly powerful approach to the quantification of proton energy deposition on the microscopic scale, but whilst they have been well validated at the macroscopic level, their

COREL, Ion Implantation in Solids, Range, Straggling Using Thomas-Fermi Cross-Sections. RASE4, Ion Implantation in Solids, Range, Straggling, Energy Deposition, Recoils. DAMG2, Ion Implantation in Solids, Energy Deposition Distribution with Recoils

International Nuclear Information System (INIS)

Brice, D. K.

1979-01-01

1 - Description of problem or function: COREL calculates the final average projected range, standard deviation in projected range, standard deviation in locations transverse to projected range, and average range along path for energetic atomic projectiles incident on amorphous targets or crystalline targets oriented such that the projectiles are not incident along low index crystallographic axes or planes. RASE4 calculates the instantaneous average projected range, standard deviation in projected range, standard deviation in locations transverse to projected range, and average range along path for energetic atomic projectiles incident on amorphous targets or crystalline targets oriented such that the projectiles are not incident along low index crystallographic axes or planes. RASE4 also calculates the instantaneous rate at which the projectile is depositing energy into atomic processes (damage) and into electronic processes (electronic excitation), the average range of target atom recoils projected onto the direction of motion of the projectiles, and the standard deviation in the recoil projected range. DAMG2 calculates the distribution in depth of the energy deposited into atomic processes (damage), electronic processes (electronic excitation), or other energy-dependent quality produced by energetic atomic projectiles incident on amorphous targets or crystalline targets oriented such that the projectiles are not incident along low index crystallographic axes or planes. 2 - Method of solution: COREL: The truncated differential equation which governs the several variables being sought is solved through second-order by trapezoidal integration. The energy-dependent coefficients in the equation are obtained by rectangular integration over the Thomas-Fermi elastic scattering cross section. RASE4: The truncated differential equation which governs the range and straggling variables is solved through second-order by trapezoidal integration. The energy

Local energy deposited for alpha particles emitted from inhaled radon daughters

International Nuclear Information System (INIS)

Al-affan, I.A.M.; Haque, A.K.M.M.

1989-01-01

An analytical method has been developed to calculate the local energy deposited by alpha particles emitted from radon daughters deposited on the mucus surface in the lung airways. For the particular case of 218 Po (Ra A) and 214 Bi (Ra C'), microdose spectra have been evaluated in test spheres of 1 μm diameter which were taken to lie within airways of diameters 18 000, 3500 and 600 μm. In each case, the contributions of the near and far wall were computed separately. The average microdosimetric parameters y-bar F and y-bar D have also been calculated. For the two smaller airways, y-bar F and y-bar D values were found to be about 110 and 135 keV μm -1 for 218 Po and about 87 and 107 keV μm -1 for 214 Bi respectively. The corresponding values were about 10% higher for the largest airway. (author)

Real-time mass measurement of dust particles deposited on vessel wall in a divertor simulator using quartz crystal microbalances

International Nuclear Information System (INIS)

Tateishi, Mizuki; Koga, Kazunori; Katayama, Ryu; Yamashita, Daisuke; Kamataki, Kunihiro; Seo, Hyunwoong; Itagaki, Naho; Shiratani, Masaharu; Ashikawa, Naoko; Masuzaki, Suguru; Nishimura, Kiyohiko; Sagara, Akio

2015-01-01

We are developing a dust monitoring method using quartz crystal microbalances (QCMs) equipped with a dust eliminating filter. Here we report a dust eliminating ratio of the filter and first measurement results of the QCMs in a divertor simulator. The volume of spherical dust in unit area on the filter and QCM under the filter were 2.09 × 10 −9 and 1.22 × 10 −10 m 3 m −2 , respectively. Thus, the dust eliminating ratio of the filter is 94.2%. The QCM without the filter gives deposition rate due to radicals and dust particles, whereas the QCM with the filter gives deposition rate predominantly due to radicals. From the results, we deduce information of mass fraction of dust particles in deposits

Research of free radical and tissue energy supply processes on rats subjected to concurrent Tetrachlormethane and Adrenaline impact after Mexidol administration

Directory of Open Access Journals (Sweden)

Kateryna Aleksevych

2015-03-01

  Summary   Experiments on rats subjected to simultaneous impact of tetrachlormethane and increased adrenaline doses, revealed activated protein oxidative modification and lipoperoxidation. This caused suppression of tissue energy supply that is confirmed by decreased cytochrome oxidase and succinate dehydrogenase. The detected disorders were found to induce cardiocyte cytolysis, indicated by increased blood serum kreatine phosphokinase and lactate dehydrogenase activity alongside with its decrease in rats’ myocardium after the impact. Mexidol, used as an antioxidant, revealed positive influence on free radical oxidation processes as well as on the    normalization of myocardial bioenergetics.   Key words: tetrachlormethane, adrenaline, protein oxidative modification, lipoperoxidation, energy supply, Mexidol.

Formation and determination of perinaphthenyl radical and PCAH in combustion processes

Energy Technology Data Exchange (ETDEWEB)

Franceschi, A [Univ., Pisa, Italy; Gerbaz, G P; Mangolini, S

1976-09-01

The concentration profiles of polycyclic aromatic hydrocarbons (PCAH) and perinaphthenyl radical along a vertical flow reactor have been determined for fuel rich premixed flames of n-heptane with small fractions of other hydrocarbons, methanol, and nitrogen oxide. It has been found that there is a strict relation between the concentrations of the higher molecular weight PCAH, which are the main components of soluble fraction of soot, and the perinaphthenyl radical. The aromatic ring of the fuel supplying the reactor plays the most significant role in the formation of PCAH and perinaphthenyl radical. Furthermore their concentrations increase passing from benzene toluene and, lastly, to mesitylene, because the energy of the C(arom)--C(alif) bond is lower than that of the C(arom)--C(arom) bond. The promoting action of methanol, when added to benzene, in the formation of PCAH and perinaphthenyl radical could be explained by the increased presence of CH/sub 3/ . radicals, which, can overcome the inhibiting action of OH. radicals. The contrary happens when methanol is added to toluene, because CH/sub 3/. coming from alcohol represents only a small fraction of the overall concentration, while the oxidant activity of OH. is prevailing. Finally the strong action of NO in reducing the free radical concentration has been pointed out.

Photofragment translational spectroscopy of three body dissociations and free radicals

Energy Technology Data Exchange (ETDEWEB)

North, Simon William [Univ. of California, Berkeley, CA (United States)

1995-04-01

This dissertation describes several three-body dissociations and the photodissociation of methyl radicals studied using photofragment translational spectroscopy. The first chapter provides an introduction to three body dissociation, examines current experimental methodology, and includes a discussion on the treatment of photofragment translational spectroscopy data arising from three-body fragmentation. The ultraviolet photodissociation of azomethane into two methyl radicals and nitrogen is discussed in chapter 2. Chapter 3 describes the photodissociation of acetone at 248 nm and 193 nm. At 248 nm the translational energy release from the initial C-C bond cleavage matches the exit barrier height and a comparison with results at 266 nm suggests that T> is invariant to the available energy. A fraction of the nascent CH₃CO radicals spontaneously dissociate following rotational averaging. The T> for the second C-C bond cleavage also matches the exit barrier height. At 193 nm the experimental data can be successfully fit assuming that the dynamics are analogous to those at 248 nm. A simplified model of energy partitioning which adequately describes the experimental results is discussed. Experiments on acetyl halides provide additional evidence to support the proposed acetone dissociation mechanism. A value of 17.0±1.0 kcal/mole for the barrier height, CH₃CO decomposition has been determined. The photodissociation of methyl radical at 193 nm and 212.8 nm is discussed in the chapter 5. The formation of CH₂(¹A_l) and H (²S) was the only single photon dissociation pathway observed at both wavelengths.

Modified energy-deposition model, for the computation of the stopping-power ratio for small cavity sizes

International Nuclear Information System (INIS)

Janssens, A.C.A.

1981-01-01

This paper presents a modification to the Spencer-Attix theory, which allows application of the theory to larger cavity sizes. The modified theory is in better agreement with the actual process of energy deposition by delta rays. In the first part of the paper it is recalled how the Spencer-Attix theory can be derived from basic principles, which allows a physical interpretation of the theory in terms of a function describing the space and direction average of the deposited energy. A realistic model for the computation of this function is described and the resulting expression for the stopping-power ratio is calculated. For the comparison between the Spencer-Attix theory and this modified expression a correction factor to the ''Bragg-Gray inhomogeneous term'' has been defined. This factor has been computed as a function of cavity size for different source energies and mean excitation energies; thus, general properties of this factor have been elucidated. The computations have been extended to include the density effect. It has been shown that the computation of the inhomogeneous term can be performed for any expression describing the energy loss per unit distance of the electrons as a function of their energy. Thus an expression has been calculated which is in agreement with a quadratic range-energy relationship. In conclusion, the concrete procedure for computing the stopping-power ratio is reviewed

Characteristics of ultraviolet light and radicals formed by pulsed discharge in water

Science.gov (United States)

Sun, Bing; Kunitomo, Shinta; Igarashi, Chiaki

2006-09-01

In this investigation, the ultraviolet light characteristics and OH radical properties produced by a pulsed discharge in water were studied. For the plate-rod reactor, it was found that the ultraviolet light energy has a 3.2% total energy injected into the reactor. The ultraviolet light changed with the peak voltage and electrode distance. UV characteristics in tap water and the distilled water are given. The intensity of the OH radicals was the highest for the 40 mm electrode distance reactor. In addition, the properties of hydrogen peroxide and ozone were also studied under arc discharge conditions. It was found that the OH radicals were in the ground state and the excited state when a pulsed arc discharge was used. The ozone was produced by the arc discharge even if the oxygen gas is not bubbled into the reactor. The ozone concentration produces a maximum value with treatment time.

Characteristics of ultraviolet light and radicals formed by pulsed discharge in water

Energy Technology Data Exchange (ETDEWEB)

Sun Bing [Dalian Maritime University, College of Environment, 1st Linghai Road, Dalian (China); Kunitomo, Shinta [Ebara Corporation, 1-6-27, Konan, Minato-ku 108-8480 (Japan); Igarashi, Chiaki [Ebara Research Co. Ltd, 2-1, Honfujisawa 4-chome, Fujisawa 251-8502 (Japan)

2006-09-07

In this investigation, the ultraviolet light characteristics and OH radical properties produced by a pulsed discharge in water were studied. For the plate-rod reactor, it was found that the ultraviolet light energy has a 3.2% total energy injected into the reactor. The ultraviolet light changed with the peak voltage and electrode distance. UV characteristics in tap water and the distilled water are given. The intensity of the OH radicals was the highest for the 40 mm electrode distance reactor. In addition, the properties of hydrogen peroxide and ozone were also studied under arc discharge conditions. It was found that the OH radicals were in the ground state and the excited state when a pulsed arc discharge was used. The ozone was produced by the arc discharge even if the oxygen gas is not bubbled into the reactor. The ozone concentration produces a maximum value with treatment time.

Energy deposition studies for the LBNE beam absorber

International Nuclear Information System (INIS)

Rakhno, Igor L.; Mokhov, Nikolai V.; Tropin, Igor S.

2015-01-01

Results of detailed Monte Carlo energy deposition studies performed for the LBNE absorber core and the surrounding shielding with the MARS15 code are described. The model of the entire facility that includes a pion-production target, focusing horns, target chase, decay channel, hadron absorber system - all with corresponding radiation shielding - was developed using the recently implemented ROOT-based geometry option in the MARS15 code. This option provides substantial flexibility and automation when developing complex geometry models. Both normal operation and accidental conditions were studied. Various design options were considered, in particular the following: (i) filling the decay pipe with air or helium; (ii) the absorber mask material and shape; (iii) the beam spoiler material and size. Results of detailed thermal calculations with the ANSYS code helped to select the most viable absorber design options. (authors)

Influence of plasma-induced energy deposition effects, the equation of state, thermal ionization, pulse shaping, and radiation on ion-beam-driven expansions of plane metal targets

International Nuclear Information System (INIS)

Long, K.A.; Tahir, N.A.

1986-01-01

In a previous paper by Long and Tahir [Phys. Fluids 29, 275 (1986)], the motion of plane targets irradiated by ion beams whose energy deposition was assumed to be independent of the ion energy, and the temperature and density of the plasma, was analyzed. In this paper, the analytic solution is extended in order to include the effects of a temperature-and density-dependent energy deposition as a result of electron excitation, an improved equation of state, thermal ionization, a pulse shape, and radiation losses. The change in the energy deposition with temperature and density leads to range shortening and an increased power deposition in the target. It is shown how the analytic theory can be used to analyze experiments to measure the enhanced energy deposition. In order to further analyze experiments, numerical simulations are presented which include the plasma-induced effects on the energy deposition. It is shown that since the change in the range is due to both decrease in density and the increase in temperature, it is not possible to separate these two effects in present experiments. Therefore, the experiments which measure the time-dependent energy of the ions emerging from the back side of a plane target do not as yet measure the energy loss as a function of the density and temperature of the plasma or of the energy of the ion, but only an averaged loss over certain ranges of these physical quantities

Intramolecular transformation of thiyl radicals to α-aminoalkyl radicals: 'ab initio' calculations on homocystein

International Nuclear Information System (INIS)

Chhun, S.; Berges, J.; Bleton, V.; Abedinzadeh, Z.

2000-01-01

One-electron oxidation of thiols by oxidizing radicals leads to the formation of thiyl radical and carbon-centered radicals. It has been shown experimentally that in the absence of oxygen, the thiyl radicals derived from certain thiols of biological interest such as glutathion, cysteine and homocysteine decay rapidly by intramolecular rearrangement reactions into the carbon-centered radical. In the present work we have investigated theoretically the structure and the stability of thiyl and carbon-centered radicals of homocysteine in order to check the possibility of this rearrangement. (author)

Radiolytic production and thermal decay kinetics of free radicals in n-alkoxyazoxybenzenes

International Nuclear Information System (INIS)

Tria, J.J.

1977-01-01

Free radical production and decay over several temperature ranges have been studied by ESR for three members of the series of n-alkoxyazoxybenzenes, those with one, two and seven carbon atoms respectively in the alkoxy chain: p,p'-azoxydianisole (PAA), p,p'-azoxydiphenetole (PAP) and 4,4'-bis-heptyloxyazoxybenzene (HAB). Radical yields per 100 ev absorbed at room temperature were: PAA 0.018, 0.019; PAP 0.033, 0.046; HAB 0.10, 0.14 for powder and single crystal samples respectively. Radicals present at room temperature and above are believed to be formed by loss of hydrogen from the benzene rings and the alkoxy groups, with more of the latter (probably α-alkoxy radicals) occurring as the alkoxy group becomes longer, based on the poorly resolved powder spectra. No cyclohexadienyl radicals or alkoxy radicals were seen. Decay of radicals between room temperature and the first liquid crystal phase transition occurred in a ''stepwise'' manner without radical conversions and was analyzed according to a model due to Waite (Phys. Rev., 107, 463 (1957) for diffusion-controlled reaction of randomly distributed reactants with a significant activation energy for the reaction step. Thermodynamic data are included for PAA powder samples and for toluene-grown single crystals. Reactions are postulated for the higher radical yields in powder samples of the three compounds irradiated at 77 0 K

MISCONCEPTIONS AND NON-SCIENTIFIC CONCEPTS ON FREE RADICALS

Directory of Open Access Journals (Sweden)

Rosiris Sindeaux de Alencar Pires de Oliveira

2016-11-01

Full Text Available INTRODUCTION: Misconceptions or alternative conceptions are defined as conceptions that are somewhat different from the scientifically accepted ones and are known to be highly resistant to changes. Free radicals are a widely publicized subject in the media due to their putative importance in human aging and health. Free radicals are a subject susceptible to misconceptions widely spread by the media supporting prejudicial advertising inducing antioxidant consumption. OBJECTIVES: Identify and categorized different free radicals misconceptions published in printed media. MATERIALS AND METHODS: Revista Veja (Digital Archive, the weekly magazine with the largest circulation in Brazil, was selected for this investigation. Period analyzed: from 01/01/2000 to 31/07/2014 with search terms Free radicals and antioxidants. Passages selected were classified as: Right Concept (RC, Wrong Concept (WC, Misconception (MC, Inadequate generalization (IG, Inductive [to misconceptions] Concept (IC, Inductive [to misconceptions] Information (II, and Not fit the inclusion criteria (NFIC. Each one of these categories were further subdivided. DISCUSSION AND RESULTS: 79 magazine articles, advertisements and information materials were found which led to 293 text passages. 56.3% were MC, 21.4% II, 8.8% IC, 5.4% IG, 3.4% RC, 2.7% WR, 2.0% NFIC. The most frequently subcategory in each category was: MC: x [something] combats free radicals (22.6%; II: x [substance] is antioxidant (54.0%; IC: x [something] increases free radicals production (34.6%; IG: antioxidant x [substance] combats cancer (56.3%; RC: too much vitamins and minerals is harmful to health (30.0%; WR: free radicals are formed during oxygen conversion to energy process (25.0%. CONCLUSION: Magazine analysis reveal non-scientific concepts (MC, II, IC and IG to be highly frequent, notably misconceptions. Moreover, non-scientific concepts together reach 91.8% of all concepts while right concepts respond for only 2

Decay Time Measurement for Different Energy Depositions of Plastic Scintillator Fabricated by High Temperature Polymerization Reaction

Energy Technology Data Exchange (ETDEWEB)

Lee, Cheol Ho; Son, Jaebum; Lee, Sangmin; Kim, Tae Hoon; Kim, Yong-Kyun [Hanyang University, Seoul (Korea, Republic of)

2016-10-15

Plastic scintillators are based on organic fluorite. They have many advantages such as fast rise and decay time, high optical transmission, ease of manufacturing, low cost, and large available size. For these reasons they are widely used for particle identification. Also, protection of people against a variety of threats (such as nuclear, radiological, and explosive) represents a true challenge along with the continuing development of science and technology. The plastic scintillator is widely used in various devise, which serves for nuclear, photonics, quantum, and high-energy physics. The plastic scintillator is probably the most widely used organic detector, and polystyrene is one of the most widely used materials in the making of the plastic scintillator detector. Thus, a styrene monomer as a solvent was used to fabricate the plastic scintillator by using high temperature polymerization reaction, and then the emission wavelength and the decay times for different energy depositions were measured by using the fabricated plastic scintillator. A plastic scintillator was fabricated to measure decay time for different energy depositions using the high temperature polymerization. Emission wavelength was measured of 426.05 nm to confirm a scintillator property using the spectrophotometer. Four gamma-ray sources (Cs-137, Co-60, Na-22, and Ba-133) were used to evaluate effect for decay time of different energy depositions. The average decay time of the fabricated plastic scintillator was measured to approximately 4.72 ns slightly higher more than commercial plastic scintillator. In future, light output and linearity will be measured to evaluate other property compared with the commercial scintillator.

Decay Time Measurement for Different Energy Depositions of Plastic Scintillator Fabricated by High Temperature Polymerization Reaction

International Nuclear Information System (INIS)

Lee, Cheol Ho; Son, Jaebum; Lee, Sangmin; Kim, Tae Hoon; Kim, Yong-Kyun

2016-01-01

Plastic scintillators are based on organic fluorite. They have many advantages such as fast rise and decay time, high optical transmission, ease of manufacturing, low cost, and large available size. For these reasons they are widely used for particle identification. Also, protection of people against a variety of threats (such as nuclear, radiological, and explosive) represents a true challenge along with the continuing development of science and technology. The plastic scintillator is widely used in various devise, which serves for nuclear, photonics, quantum, and high-energy physics. The plastic scintillator is probably the most widely used organic detector, and polystyrene is one of the most widely used materials in the making of the plastic scintillator detector. Thus, a styrene monomer as a solvent was used to fabricate the plastic scintillator by using high temperature polymerization reaction, and then the emission wavelength and the decay times for different energy depositions were measured by using the fabricated plastic scintillator. A plastic scintillator was fabricated to measure decay time for different energy depositions using the high temperature polymerization. Emission wavelength was measured of 426.05 nm to confirm a scintillator property using the spectrophotometer. Four gamma-ray sources (Cs-137, Co-60, Na-22, and Ba-133) were used to evaluate effect for decay time of different energy depositions. The average decay time of the fabricated plastic scintillator was measured to approximately 4.72 ns slightly higher more than commercial plastic scintillator. In future, light output and linearity will be measured to evaluate other property compared with the commercial scintillator

Free radical transfer in polymers

International Nuclear Information System (INIS)

Sonntag, C. von; Bothe, E.; Ulanski, P.

1998-01-01

For the present study of free-radical transfer in polymers pulse radiolysis and product studies have been carried out in aqueous solutions using thus far only the water-soluble polymers polyacrylic acid, polymethacrylic acid and polyvinyl alcohol. When OH radicals, generated in the radiolysis of N 2 O-saturated aqueous solutions, react with polymers the lifetime of the polymer radical thus created very much depends on the number of radicals per polymer chain. When there are a large number of radicals per chain their bimolecular decay may be faster than the corresponding (diffusion controlled) decay of monomeric radicals, but when the macromolecule contains only few or even just one radical their lifetime is considerably prolonged. Highly charged polymers such as polyacrylic acid at high pH attain a rod-like conformation which again favors a long lifetime of the radicals. Under such conditions, radical transfer reactions can occur. For example, in polyacrylic acid OH radicals generate two kinds of radicals side by side. The radical in β-position to the carboxylate group converts into the thermodynamically more stable α-radicals by an H-transfer reaction as can be followed by spectrophotometry. Besides radical transfer reactions β-fragmentation reactions occur causing chain scission. Such reactions can be followed in a pulse radiolysis experiment by conductometry, because counter ions are released upon chain scission. Such a process is especially effective in the case of polymethacrylic acid, where it results in a chain depolymerization. An intramolecular H-abstraction is also observed in the γ-radiolysis of polyacrylic acid with the corresponding peroxyl radicals. This causes a chain reaction to occur. The resulting hydroperoxides are unstable and decarboxylate given rise to acetylacetone-like products. In polyvinyl alcohol the peroxyl radicals in α-position to the alcohol function undergo HO 2 -elimination. This prevents a scission of the polymer chain in the

Energy deposition of heavy ions in the regime of strong beam-plasma correlations.

Science.gov (United States)

Gericke, D O; Schlanges, M

2003-03-01

The energy loss of highly charged ions in dense plasmas is investigated. The applied model includes strong beam-plasma correlation via a quantum T-matrix treatment of the cross sections. Dynamic screening effects are modeled by using a Debye-like potential with a velocity dependent screening length that guarantees the known low and high beam velocity limits. It is shown that this phenomenological model is in good agreement with simulation data up to very high beam-plasma coupling. An analysis of the stopping process shows considerably longer ranges and a less localized energy deposition if strong coupling is treated properly.

Measurements of poloidal and toroidal energy deposition asymmetries in the ASDEX divertors

International Nuclear Information System (INIS)

Evans, T.E.

1991-03-01

Energy deposition characteristics in the ASDEX divertors have been analyzed over a wide range of discharges and wall conditions during ohmically heated, additionally heated, or lower hybrid current drive experiments. Changes in discharge operating parameters with high power additional heating produce a diversity of effects on the magnitudes and distributions of the energy absorbed in the divertors. Poloidally and toroidally resolved energy deposition patterns are particularly sensitive to changes in the edge safety factor, the type and power level of additional heating used, and the vertical position of the plasma. In most additionally heated discharges, a large fraction of the incremental divertor loading is found on only one or two target rings. Poloidal in-out asymmetries, which typically favor the low-field side by a factor of 2.5 in ohmic discharges, commonly range between a factor of 2.5 and 4.5 in additionally heated experiments and in extreme cases can be as large as a factor of 5.6. At the same time, toroidal asymmetries on individual target rings are found to range between a factor of 1.4 and 3.8 in typical ICRH and NBI cases with extreme LHCD cases of 4.3. A model, proposed to explain the cause of discharge asymmetries, is compared with the experimental observations. Under some conditions, for example during LHCD experiments, the model is in good agreement with the data. A method is proposed for supressing discharge asymmetries which may generally improve the divertor performance as well. (orig./AH)

Comparison between Two Bromine Containing Free Radical Initiators in PRESAGE®

Energy Technology Data Exchange (ETDEWEB)

Park, Hyeonsuk; Ryu, Dongmin; Ye, Sung-Joon [Seoul National University, Seoul (Korea, Republic of)

2016-10-15

PRESAGE® is an optically clear 3-D polyurethane dosimeter which contains a halogenated carbon as a free radical initiator and leucomalachite dye. The change of the optical density is known to be linear with respect to the absorbed dose and the sensitivity is related to the carbon–halogen bond dissociation energy of the free radical initiator. Although there are some studies regarding free radical initiators and dye materials, there’s a lack of reports about the effect of other elements like LMG solvent which can be added when there’s a difficulty mixing materials. Also, there are some studies about comparison between free radicals with different kind of halogen atoms but there’s a lack of studies of comparison between initiators with the same halogen atom. In this experiments, two kinds of halocarbon free radical initiator with the same halogen atom (bromine) as well as the effect of the LMG solvent were studied to use the dosimeter as a therapeutic purpose. Effective atomic numbers were also calculated. The initiators with the same halogen atom, CBr{sub 4} and C{sub 2}H{sub 2}Br{sub 4}, reacted totally differently. CBr{sub 4} was more sensitive to the radiation and emitted maximum 4 times more free radicals upon irradiation with no additional effective atomic number but the absorbance after irradiation was highly variable with time. For stable measurement, C{sub 2}H{sub 2}Br{sub 4} would be more appropriate as a free radical initiator.

Spectroscopic characterization of the ethyl radical-water complex.

Science.gov (United States)

Lin, Chen; Finney, Brian A; Laufer, Allan H; Anglada, Josep M; Francisco, Joseph S

2016-10-14

An ab initio investigation has been employed to determine the structural and spectroscopic parameters, such as rotational constants, vibrational frequencies, vertical excitation energies, and the stability of the ethyl-water complex. The ethyl-water complex has a binding energy of 1.15 kcal⋅mol -1 . The interaction takes place between the hydrogen of water and the unpaired electron of the radical. This interaction is found to produce a red shift in the OH stretching bands of water of ca. 84 cm -1 , and a shift of all UV absorption bands to higher energies.

Neutron-photon energy deposition in CANDU reactor fuel channels: a comparison of modelling techniques using ANISN and MCNP computer codes

International Nuclear Information System (INIS)

Bilanovic, Z.; McCracken, D.R.

1994-12-01

In order to assess irradiation-induced corrosion effects, coolant radiolysis and the degradation of the physical properties of reactor materials and components, it is necessary to determine the neutron, photon, and electron energy deposition profiles in the fuel channels of the reactor core. At present, several different computer codes must be used to do this. The most recent, advanced and versatile of these is the latest version of MCNP, which may be capable of replacing all the others. Different codes have different assumptions and different restrictions on the way they can model the core physics and geometry. This report presents the results of ANISN and MCNP models of neutron and photon energy deposition. The results validate the use of MCNP for simplified geometrical modelling of energy deposition by neutrons and photons in the complex geometry of the CANDU reactor fuel channel. Discrete ordinates codes such as ANISN were the benchmark codes used in previous work. The results of calculations using various models are presented, and they show very good agreement for fast-neutron energy deposition. In the case of photon energy deposition, however, some modifications to the modelling procedures had to be incorporated. Problems with the use of reflective boundaries were solved by either including the eight surrounding fuel channels in the model, or using a boundary source at the bounding surface of the problem. Once these modifications were incorporated, consistent results between the computer codes were achieved. Historically, simple annular representations of the core were used, because of the difficulty of doing detailed modelling with older codes. It is demonstrated that modelling by MCNP, using more accurate and more detailed geometry, gives significantly different and improved results. (author). 9 refs., 12 tabs., 20 figs

High-level theoretical characterization of the vinoxy radical (•CH2CHO) + O2 reaction

Science.gov (United States)

Weidman, Jared D.; Allen, Ryan T.; Moore, Kevin B.; Schaefer, Henry F.

2018-05-01

Numerous processes in atmospheric and combustion chemistry produce the vinoxy radical (•CH2CHO). To understand the fate of this radical and to provide reliable energies needed for kinetic modeling of such processes, we have examined its reaction with O2 using highly reliable theoretical methods. Utilizing the focal point approach, the energetics of this reaction and subsequent reactions were obtained using coupled-cluster theory with single, double, and perturbative triple excitations [CCSD(T)] extrapolated to the complete basis set limit. These extrapolated energies were appended with several corrections including a treatment of full triples and connected quadruple excitations, i.e., CCSDT(Q). In addition, this study models the initial vinoxy radical + O2 reaction for the first time with multireference methods. We predict a barrier for this reaction of approximately 0.4 kcal mol-1. This result agrees with experimental findings but is in disagreement with previous theoretical studies. The vinoxy radical + O2 reaction produces a 2-oxoethylperoxy radical which can undergo a number of unimolecular reactions. Abstraction of a β-hydrogen (a 1,4-hydrogen shift) and dissociation back to reactants are predicted to be competitive to each other due to their similar barriers of 21.2 and 22.3 kcal mol-1, respectively. The minimum-energy β-hydrogen abstraction pathway produces a hydroperoxy radical (QOOH) that eventually decomposes to formaldehyde, CO, and •OH. Two other unimolecular reactions of the peroxy radical are α-hydrogen abstraction (38.7 kcal mol-1 barrier) and HO2• elimination (43.5 kcal mol-1 barrier). These pathways lead to glyoxal + •OH and ketene + HO2• formation, respectively, but they are expected to be uncompetitive due to their high barriers.

Oxidation of caffeine by phosphate radical anion in aqueous ...

Indian Academy of Sciences (India)

Unknown

reactions in our body generate reactive oxygen species mainly comprising free radicals .... caffeine might be acting as a sensitizer to transfer energy to PDP to produce phosphate ... The lifetime of the excited singlet 21 state of caffeine is of the.

Thermal stability of radiation-induced free radicals in γ-irradiated l-alanine single crystals

International Nuclear Information System (INIS)

Maltar-Strmecki, N.; Rakvin, B.

2005-01-01

Decay of the radiation-induced stable free radicals in l-alanine single crystals and powders at the temperatures from 379 to 476K was examined by electron paramagnetic resonance. For single crystals, the calculated activation energy of the radical decay is 104.3±1.7kJ/mol (i.e. 12 538+/-202K) and the frequency factor lnν 0 is 24.1±0.4min -1 . The lifetime of the radical in single crystals at 296K is 162 years. The results confirm the long-term stability of the radicals, but the decay was found to be faster in large crystals than in powders

Observation of vibronic emission spectrum of jet-cooled 3,5-difluorobenzyl radical.

Science.gov (United States)

Lee, Seung Woon; Yoon, Young Wook; Lee, Sang Kuk

2010-09-02

We applied the technique of corona-excited supersonic expansion using a pinhole-type glass nozzle to observe the vibronic emission spectrum of jet-cooled benzyl-type radicals from the corona discharge of precursor 3,5-difluorotoluene seeded in a large amount of inert helium carrier gas. The vibronically well-resolved emission spectrum was recorded with a long-path monochromator in the visible region. After subtracting the vibronic bands originating from isomeric difluorobenzyl radicals from the observed spectrum, we identified for the first time the bands belonging to the 3,5-difluorobenzyl radical, from which the electronic energy and vibrational mode frequencies of the 3,5-difluorobenzyl radical were accurately determined in the ground electronic state by comparison with those of the precursor and with those from an ab initio calculation.

Residual energy deposition in dental enamel during IR laser ablation at 2.79, 2.94, 9.6, and 10.6 μm

Science.gov (United States)

Ragadio, Jerome N.; Lee, Christian K.; Fried, Daniel

2000-03-01

The objective of this study was to measure the residual heat deposition during laser ablation at those IR laser wavelengths best suited for the removal of dental caries. The principal factor limiting the rate of laser ablation of dental hard tissue is the risk of excessive heat accumulation in the tooth, which has the potential for causing damage to the pulp. Optimal laser ablation systems minimize the residual energy deposition in the tooth by transferring deposited laser energy to kinetic and internal energy of ejected tissue components. The residual heat deposition in the tooth was measured at laser wavelengths of 2.79, 2.94, 9.6 and 10.6 micrometer and pulse widths of 150 ns - 150 microsecond(s) . The residual energy was at a minimum for fluences well above the ablation threshold where it saturates at values from 25 - 70% depending on pulse duration and wavelength for the systems investigated. The lowest values of the residual energy were measured for short (less than 20 microseconds) CO2 laser pulses at 9.6 micrometer and for Q-switched erbium laser pulses. This work was supported by NIH/NIDCR R29DE12091 and the Center for Laser Applications in Medicine, DOE DEFG0398ER62576.

Hydroxyl radical induced transformation of phenylurea herbicides: A theoretical study

International Nuclear Information System (INIS)

Mile, Viktória; Harsányi, Ildikó; Kovács, Krisztina; Földes, Tamás; Takács, Erzsébet; Wojnárovits, László

2017-01-01

Aromatic ring hydroxylation reactions occurring during radiolysis of aqueous solutions are studied on the example of phenylurea herbicides by Density Functional Theory calculations. The effect of the aqueous media is taken into account by using the Solvation Model Based on Density model. Hydroxyl radical adds to the ring because the activation free energies (0.4–47.2 kJ mol −1 ) are low and also the Gibbs free energies have high negative values ((−27.4) to (−5.9) kJ mol −1 ). According to the calculations in most of cases the ortho- and para-addition is preferred in agreement with the experimental results. In these reactions hydroxycyclohexadienyl type radicals form. In a second type reaction, when loss of chlorine atom takes place, OH/Cl substitution occurs without cyclohexadienyl type intermediate. - Highlights: • Attack of • OH to aniline, phenol, fenuron, monuron, diuron was studied by DFT. • Ortho-para directing is suggested with –NH 2 , –OH and –NHCON(CH 3 ) 2 groups. • • OH addition to the ring gives hydroxycyclohexadienyl radical. • Attack at C-Cl leads to • OH/Cl substitution without cyclohexadienyl intermediate.

Development of a new free radical absorption capacity assay method for antioxidants: aroxyl radical absorption capacity (ARAC).

Science.gov (United States)

Nagaoka, Shin-ichi; Nagai, Kanae; Fujii, Yuko; Ouchi, Aya; Mukai, Kazuo

2013-10-23

A new free radical absorption capacity assay method is proposed with use of an aroxyl radical (2,6-di-tert-butyl-4-(4'-methoxyphenyl)phenoxyl radical) and stopped-flow spectroscopy and is named the aroxyl radical absorption capacity (ARAC) assay method. The free radical absorption capacity (ARAC value) of each tocopherol was determined through measurement of the radical-scavenging rate constant in ethanol. The ARAC value could also be evaluated through measurement of the half-life of the aroxyl radical during the scavenging reaction. For the estimation of the free radical absorption capacity, the aroxyl radical was more suitable than the DPPH radical, galvinoxyl, and p-nitrophenyl nitronyl nitroxide. The ARAC value in tocopherols showed the same tendency as the free radical absorption capacities reported previously, and the tendency was independent of an oxygen radical participating in the scavenging reaction and of a medium surrounding the tocopherol and oxygen radical. The ARAC value can be directly connected to the free radical-scavenging rate constant, and the ARAC method has the advantage of treating a stable and isolable radical (aroxyl radical) in a user-friendly organic solvent (ethanol). The ARAC method was also successfully applied to a palm oil extract. Accordingly, the ARAC method would be useful in free radical absorption capacity assay of antioxidative reagents and foods.

The Energy Deposition Pattern as the Unconventional Strangelet Signature and its Relevance to the Castor Calorimeter

International Nuclear Information System (INIS)

Angelis, A.L.S.; Bartke, J.; Gladysz-Dziadus, E.; Wlodarczyk, Z.

1998-07-01

It has been shown, by GEANT simulations, that the energy deposition pattern in deep calorimeters could be the spectacular and unconventional signature of different kinds of stable and unstable strangelets. The CASTOR calorimeter is shown to be the appropriate tool for detection of strongly penetrating objects, such as strangelets possibly produced in the baryon-rich region in central Pb-Pb collisions at LHC energies. (author)

Erosion of pyrolytic carbon under high surface energy deposition from a pulsed hydrogen plasma

International Nuclear Information System (INIS)

Bolt, H.

1992-01-01

Carbon materials are widely applied as plasma facing materials in nuclear fusion devices and are also the prime candidate materials for the next generation of experimental fusion reactors. During operation these materials are frequently subjected to high energy deposition from plasma disruptions. The erosion of carbon materials is regarded as the main issue governing the operational lifetime of plasma facing components. Laboratory experiments have been performed to study the thermal erosion behaviour of carbon in a plasma environment. In the experiments the surface of pyrolytic carbon specimens was exposed to pulsed energy deposition of up to 3.8 MJ m -2 from a hydrogen plasma. The behaviour of the eroded carbon species in the plasma was measured by time-resolved and space-resolved spectroscopy. Intense line radiation of ionic carbon has been measured in the plasma in front of the carbon surface. The results show that the eroded carbon is immediately ionised in the vicinity of the material surface, with a fraction of it being ionised to the double-charged state. (Author)

Deposition of a-C:H films on a nanotrench pattern by bipolar PBII and D

International Nuclear Information System (INIS)

Hirata, Yuki; Nakahara, Yuya; Nagato, Keisuke; Choi, Junho

2016-01-01

In this study, hydrogenated amorphous carbon (a-C:H) films were deposited on a nanotrench pattern (300 nm pitch, aspect ratio: 2.0) by bipolar-type plasma based ion implantation and deposition technique (bipolar PBII and D), and the effects of bipolar pulse on the film properties were investigated. Moreover, the behaviour of ions and radicals surrounding the nanotrench was analyzed to clarify the coating mechanism and properties of the a-C:H films on the nanotrench. Further, thermal nanoimprint lithography was carried out using the nanotrench pattern coated with a-C:H films as the mold, and the mold release properties were evaluated. All nanotrench surfaces were successfully coated with the a-C:H films, but the film thickness on the top, sidewall, and bottom surfaces of the trench were not uniform. The surface roughness of the a-C:H films was found to decrease at a higher positive voltage; this happens due to the higher electron temperature around the nanotrench because of the surface migration of plasma particles arrived on the trench. The effects of the negative voltage on the behaviour of ions and radicals near the sidewall of the nanotrench are quite similar to those near the microtrench reported previously (Park et al 2014 J. Phys. D: Appl. Phys . 47 335306). However, the positive pulse voltage was also found to affect the behaviour of ions and radicals near the sidewall surface. The incident angles of ions on the sidewall surface increased with the positive pulse voltage because the energy of incoming ions on the trench decreases with increasing positive voltage. Moreover, the incident ion flux on the sidewall is affected by the positive voltage history. Further, the radical flux decreases with increasing positive voltage. It can be concluded that a higher positive voltage at a lower negative voltage condition is good to obtain better film properties and higher film thickness on the sidewall surface. Pattern transfer properties for the nanoimprint formed by

COMPUTATIONAL STUDY OF INTERSTELLAR GLYCINE FORMATION OCCURRING AT RADICAL SURFACES OF WATER-ICE DUST PARTICLES

International Nuclear Information System (INIS)

Rimola, Albert; Sodupe, Mariona; Ugliengo, Piero

2012-01-01

Glycine is the simplest amino acid, and due to the significant astrobiological implications that suppose its detection, the search for it in the interstellar medium (ISM), meteorites, and comets is intensively investigated. In the present work, quantum mechanical calculations based on density functional theory have been used to model the glycine formation on water-ice clusters present in the ISM. The removal of either one H atom or one electron from the water-ice cluster has been considered to simulate the effect of photolytic radiation and of ionizing particles, respectively, which lead to the formation of OH . radical and H 3 O + surface defects. The coupling of incoming CO molecules with the surface OH . radicals on the ice clusters yields the formation of the COOH . radicals via ZPE-corrected energy barriers and reaction energies of about 4-5 kcal mol –1 and –22 kcal mol –1 , respectively. The COOH . radicals couple with incoming NH=CH 2 molecules (experimentally detected in the ISM) to form the NHCH 2 COOH . radical glycine through energy barriers of 12 kcal mol –1 , exceedingly high at ISM cryogenic temperatures. Nonetheless, when H 3 O + is present, one proton may be barrierless transferred to NH=CH 2 to give NH 2 =CH 2 + . This latter may react with the COOH . radical to give the NH 2 CH 2 COOH +. glycine radical cation which can then be transformed into the NH 2 CHC(OH) 2 +. species (the most stable form of glycine in its radical cation state) or into the NH 2 CHCOOH . neutral radical glycine. Estimated rate constants of these events suggest that they are kinetically feasible at temperatures of 100-200 K, which indicate that their occurrence may take place in hot molecular cores or in comets exposed to warmer regions of solar systems. Present results provide quantum chemical evidence that defects formed on water ices due to the harsh-physical conditions of the ISM may trigger reactions of cosmochemical interest. The relevance of surface H 3 O

Computational Study of Interstellar Glycine Formation Occurring at Radical Surfaces of Water-ice Dust Particles

Science.gov (United States)

Rimola, Albert; Sodupe, Mariona; Ugliengo, Piero

2012-07-01

Glycine is the simplest amino acid, and due to the significant astrobiological implications that suppose its detection, the search for it in the interstellar medium (ISM), meteorites, and comets is intensively investigated. In the present work, quantum mechanical calculations based on density functional theory have been used to model the glycine formation on water-ice clusters present in the ISM. The removal of either one H atom or one electron from the water-ice cluster has been considered to simulate the effect of photolytic radiation and of ionizing particles, respectively, which lead to the formation of OH• radical and H3O+ surface defects. The coupling of incoming CO molecules with the surface OH• radicals on the ice clusters yields the formation of the COOH• radicals via ZPE-corrected energy barriers and reaction energies of about 4-5 kcal mol-1 and -22 kcal mol-1, respectively. The COOH• radicals couple with incoming NH=CH2 molecules (experimentally detected in the ISM) to form the NHCH2COOH• radical glycine through energy barriers of 12 kcal mol-1, exceedingly high at ISM cryogenic temperatures. Nonetheless, when H3O+ is present, one proton may be barrierless transferred to NH=CH2 to give NH2=CH2 +. This latter may react with the COOH• radical to give the NH2CH2COOH+• glycine radical cation which can then be transformed into the NH2CHC(OH)2 +• species (the most stable form of glycine in its radical cation state) or into the NH2CHCOOH• neutral radical glycine. Estimated rate constants of these events suggest that they are kinetically feasible at temperatures of 100-200 K, which indicate that their occurrence may take place in hot molecular cores or in comets exposed to warmer regions of solar systems. Present results provide quantum chemical evidence that defects formed on water ices due to the harsh-physical conditions of the ISM may trigger reactions of cosmochemical interest. The relevance of surface H3O+ ions to facilitate chemical

Energy deposition by a 106Ru/106Rh eye applicator simulated using LEPTS, a low-energy particle track simulation

International Nuclear Information System (INIS)

Fuss, M.C.; Munoz, A.; Oller, J.C.; Blanco, F.; Williart, A.; Limao-Vieira, P.; Borge, M.J.G.; Tengblad, O.; Huerga, C.; Tellez, M.; Garcia, G.

2011-01-01

The present study introduces LEPTS, an event-by-event Monte Carlo programme, for simulating an ophthalmic 106 Ru/ 106 Rh applicator relevant in brachytherapy of ocular tumours. The distinctive characteristics of this code are the underlying radiation-matter interaction models that distinguish elastic and several kinds of inelastic collisions, as well as the use of mostly experimental input data. Special emphasis is placed on the treatment of low-energy electrons for generally being responsible for the deposition of a large portion of the total energy imparted to matter. - Highlights: → We present the Monte Carlo code LEPTS, a low-energy particle track simulation. → Carefully selected input data from 10 keV to 1 eV. → Application to an electron emitting Ru-106/Rh-106 plaque used in brachytherapy.

OH radicals distribution in an Ar-H2O atmospheric plasma jet

Science.gov (United States)

Li, L.; Nikiforov, A.; Xiong, Q.; Britun, N.; Snyders, R.; Lu, X.; Leys, C.

2013-09-01

Recently, plasma jet systems found numerous applications in the field of biomedicine and treatment of temperature-sensitive materials. OH radicals are one of the main active species produced by these plasmas. Present study deals with the investigation of RF atmospheric pressure plasma jet in terms of OH radicals production by admixture of H2O into argon used as a feed gas. Generation of OH radicals is studied by laser-induced fluorescence spectroscopy. The excitation dynamics of OH radicals induced by the laser photons is studied by time-resolved spectroscopy. It is shown that vibrational and rotational energy transfer processes, which are sensitive to the surrounding species, can lead to the complication in the OH radicals diagnostics at high pressure and have to be considered during experiments. The axial and radial 2D maps of absolute densities of hydroxyl radicals at different water contents are obtained. The highest density of 1.15 × 1020 m-3 is measured in the plasma core for the case of 0.3% H2O. In the x-y-plane, the OH density steeply decreases within a range of ±2 mm from its maximum value down to 1018 m-3. The effect of H2O addition on the generation of OH radicals is investigated and discussed.

Inorganic-organic hybrid coatings on stainless steel by layer-by-layer deposition and surface-initiated atom-transfer-radical polymerization for combating biocorrosion.

Science.gov (United States)

Yuan, S J; Pehkonen, S O; Ting, Y P; Neoh, K G; Kang, E T

2009-03-01

To improve the biocorrosion resistance of stainless steel (SS) and to confer the bactericidal function on its surface for inhibiting bacterial adhesion and biofilm formation, well-defined inorganic-organic hybrid coatings, consisting of the inner compact titanium oxide multilayers and outer dense poly(vinyl-N-hexylpyridinium) brushes, were successfully developed. Nanostructured titanium oxide multilayer coatings were first built up on the SS substrates via the layer-by-layer sol-gel deposition process. The trichlorosilane coupling agent, containing the alkyl halide atom-transfer-radical polymerization (ATRP) initiator, was subsequently immobilized on the titanium oxide coatings for surface-initiated ATRP of 4-vinylpyridine (4VP). The pyridium nitrogen moieties of the covalently immobilized 4VP polymer, or P(4VP), brushes were quaternized with hexyl bromide to produce a high concentration of quaternary ammonium salt on the SS surfaces. The excellent antibacterial efficiency of the grafted polycations, poly(vinyl-N-pyridinium bromide), was revealed by viable cell counts and atomic force microscopy images of the surface. The effectiveness of the hybrid coatings in corrosion protection was verified by the Tafel plot and electrochemical impedance spectroscopy measurements.

Dissociative Photoionization of the Elusive Vinoxy Radical.

Science.gov (United States)

Adams, Jonathan D; Scrape, Preston G; Lee, Shih-Huang; Butler, Laurie J

2017-08-24

These experiments report the dissociative photoionization of vinoxy radicals to m/z = 15 and 29. In a crossed laser-molecular beam scattering apparatus, we induce C-Cl bond fission in 2-chloroacetaldehyde by photoexcitation at 157 nm. Our velocity measurements, combined with conservation of angular momentum, show that 21% of the C-Cl photofission events form vinoxy radicals that are stable to subsequent dissociation to CH 3 + CO or H + ketene. Photoionization of these stable vinoxy radicals, identified by their velocities, which are momentum-matched with the higher-kinetic-energy Cl atom photofragments, shows that the vinoxy radicals dissociatively photoionize to give signal at m/z = 15 and 29. We calibrated the partial photoionization cross section of vinoxy to CH 3 + relative to the bandwidth-averaged photoionization cross section of the Cl atom at 13.68 eV to put the partial photoionization cross sections on an absolute scale. The resulting bandwidth-averaged partial cross sections are 0.63 and 1.3 Mb at 10.5 and 11.44 eV, respectively. These values are consistent with the upper limit to the cross section estimated from a study by Savee et al. on the O( 3 P) + propene bimolecular reaction. We note that the uncertainty in these values is primarily dependent on the signal attributed to C-Cl primary photofission in the m/z = 35 (Cl + ) time-of-flight data. While the value is a rough estimate, the bandwidth-averaged partial photoionization cross section of vinoxy to HCO + calculated from the signal at m/z = 29 at 11.53 eV is approximately half that of vinoxy to CH 3 + . We also present critical points on the potential energy surface of the vinoxy cation calculated at the G4//B3LYP/6-311++G(3df,2p) level of theory to support the observation of dissociative ionization of vinoxy to both CH 3 + and HCO + .

Engineering a horseradish peroxidase C stable to radical attacks by mutating multiple radical coupling sites.

Science.gov (United States)

Kim, Su Jin; Joo, Jeong Chan; Song, Bong Keun; Yoo, Young Je; Kim, Yong Hwan

2015-04-01

Peroxidases have great potential as industrial biocatalysts. In particular, the oxidative polymerization of phenolic compounds catalyzed by peroxidases has been extensively examined because of the advantage of this method over other conventional chemical methods. However, the industrial application of peroxidases is often limited because of their rapid inactivation by phenoxyl radicals during oxidative polymerization. In this work, we report a novel protein engineering approach to improve the radical stability of horseradish peroxidase isozyme C (HRPC). Phenylalanine residues that are vulnerable to modification by the phenoxyl radicals were identified using mass spectrometry analysis. UV-Vis and CD spectra showed that radical coupling did not change the secondary structure or the active site of HRPC. Four phenylalanine (Phe) residues (F68, F142, F143, and F179) were each mutated to alanine residues to generate single mutants to examine the role of these sites in radical coupling. Despite marginal improvement of radical stability, each single mutant still exhibited rapid radical inactivation. To further reduce inactivation by radical coupling, the four substitution mutations were combined in F68A/F142A/F143A/F179A. This mutant demonstrated dramatic enhancement of radical stability by retaining 41% of its initial activity compared to the wild-type, which was completely inactivated. Structure and sequence alignment revealed that radical-vulnerable Phe residues of HPRC are conserved in homologous peroxidases, which showed the same rapid inactivation tendency as HRPC. Based on our site-directed mutagenesis and biochemical characterization, we have shown that engineering radical-vulnerable residues to eliminate multiple radical coupling can be a good strategy to improve the stability of peroxidases against radical attack. © 2014 Wiley Periodicals, Inc.

Characterization of space radiation environment in terms of the energy deposition in functionally important volumes

International Nuclear Information System (INIS)

Braby, L.A.; Metting, N.F.; Wilson, W.E.; Ratcliffe, C.A.

1988-01-01

Since the damage which initiates detrimental effects occurs in a small site (semiconductor junctions, or biological cell nuclei), these differences in spatial distribution of ionization maybe the relevant factor controlling the effectiveness of different radiations. Again, when the appropriate cross section data are available Monte Carlo methods can be used to simulate the positions of all ionizations and excitations produced by a typical charged particle. This calculated track structure must interact with the biological or electronic entity in which it occurs to produce the effect. However, we do not know the mechanisms of this interaction and thus cannot specify which characteristics of the charged particle track are responsible for the relevant damage. From track structure we can obtain the spectrum of energy deposition in small volumes which may be relevant to the processes of concern. This has lead to a new approach to dosimetry, one which emphasizes the stochastic nature of energy deposition in small sites, known as microdosimetry. 6 refs., 4 figs

An ultrahigh vacuum, low-energy ion-assisted deposition system for III-V semiconductor film growth

Science.gov (United States)

Rohde, S.; Barnett, S. A.; Choi, C.-H.

1989-06-01

A novel ion-assisted deposition system is described in which the substrate and growing film can be bombarded with high current densities (greater than 1 mA/sq cm) of very low energy (10-200 eV) ions. The system design philosophy is similar to that used in III-V semiconductor molecular-beam epitaxy systems: the chamber is an all-metal ultrahigh vacuum system with liquid-nitrogen-cooled shrouds, Knudsen-cell evaporation sources, a sample insertion load-lock, and a 30-kV reflection high-energy electron diffraction system. III-V semiconductor film growth is achieved using evaporated group-V fluxes and group-III elemental fluxes sputtered from high-purity targets using ions extracted from a triode glow discharge. Using an In target and an As effusion cell, InAs deposition rates R of 2 microns/h have been obtained. Epitaxial growth of InAs was observed on both GaSb(100) and Si(100) substrates.

Effect of energy deposited by cosmic-ray particles on interferometric gravitational wave detectors

International Nuclear Information System (INIS)

Yamamoto, Kazuhiro; Hayakawa, Hideaki; Okada, Atsushi; Uchiyama, Takashi; Miyoki, Shinji; Ohashi, Masatake; Kuroda, Kazuaki; Kanda, Nobuyuki; Tatsumi, Daisuke; Tsunesada, Yoshiki

2008-01-01

We investigated the noise of interferometric gravitational wave detectors due to heat energy deposited by cosmic-ray particles. We derived a general formula that describes the response of a mirror against a cosmic-ray passage. We found that there are differences in the comic-ray responses (the dependence of temperature and cosmic-ray track position) in cases of interferometric and resonant gravitational wave detectors. The power spectral density of vibrations caused by low-energy secondary muons is 100 times smaller than the goal sensitivity of future second-generation interferometer projects, such as LCGT and Advanced LIGO. The arrival frequency of high-energy cosmic-ray muons that generate enough large showers inside mirrors of LCGT and Advanced LIGO is one per a millennium. We also discuss the probability of exotic-particle detection with interferometers.

Predictive modeling capabilities from incident powder and laser to mechanical properties for laser directed energy deposition

Science.gov (United States)

Shin, Yung C.; Bailey, Neil; Katinas, Christopher; Tan, Wenda

2018-01-01

This paper presents an overview of vertically integrated comprehensive predictive modeling capabilities for directed energy deposition processes, which have been developed at Purdue University. The overall predictive models consist of vertically integrated several modules, including powder flow model, molten pool model, microstructure prediction model and residual stress model, which can be used for predicting mechanical properties of additively manufactured parts by directed energy deposition processes with blown powder as well as other additive manufacturing processes. Critical governing equations of each model and how various modules are connected are illustrated. Various illustrative results along with corresponding experimental validation results are presented to illustrate the capabilities and fidelity of the models. The good correlations with experimental results prove the integrated models can be used to design the metal additive manufacturing processes and predict the resultant microstructure and mechanical properties.

Predictive modeling capabilities from incident powder and laser to mechanical properties for laser directed energy deposition

Science.gov (United States)

Shin, Yung C.; Bailey, Neil; Katinas, Christopher; Tan, Wenda

2018-05-01

This paper presents an overview of vertically integrated comprehensive predictive modeling capabilities for directed energy deposition processes, which have been developed at Purdue University. The overall predictive models consist of vertically integrated several modules, including powder flow model, molten pool model, microstructure prediction model and residual stress model, which can be used for predicting mechanical properties of additively manufactured parts by directed energy deposition processes with blown powder as well as other additive manufacturing processes. Critical governing equations of each model and how various modules are connected are illustrated. Various illustrative results along with corresponding experimental validation results are presented to illustrate the capabilities and fidelity of the models. The good correlations with experimental results prove the integrated models can be used to design the metal additive manufacturing processes and predict the resultant microstructure and mechanical properties.

Vinylcyclopropylacyl and polyeneacyl radicals. Intramolecular ketene alkyl radical additions in ring synthesis.

Science.gov (United States)

De Boeck, Benoit; Herbert, Nicola M A; Harrington-Frost, Nicole M; Pattenden, Gerald

2005-01-21

Treatment of a variety of substituted vinylcyclopropyl selenyl esters, e.g. 11, with Bu(3)SnH-AIBN in refluxing benzene leads to the corresponding acyl radical intermediates, which undergo rearrangement and intramolecular cyclisations via their ketene alkyl radical equivalents producing cyclohexenones in 50-60% yield. By contrast, treatment of conjugated triene selenyl esters, e.g. 32, with Bu(3)SnH-AIBN produces substituted 2-cyclopentenones via intramolecular cyclisations of their ketene alkyl radical intermediates. Under the same radical-initiating conditions the selenyl esters derived from o-vinylbenzoic acid and o-vinylcinnamic acid undergo intramolecular cyclisations producing 1-indanone and 5,6-dihydrobenzocyclohepten-7-one respectively in 60-70% yields. A tandem radical cyclisation from the alpha,beta,gamma,delta-diene selenyl ester 31 provides an expeditious synthesis of the diquinane 35 in 69% yield.

Serum Hydroxyl Radical Scavenging Capacity as Quantified with Iron-Free Hydroxyl Radical Source

Science.gov (United States)

Endo, Nobuyuki; Oowada, Shigeru; Sueishi, Yoshimi; Shimmei, Masashi; Makino, Keisuke; Fujii, Hirotada; Kotake, Yashige

2009-01-01

We have developed a simple ESR spin trapping based method for hydroxyl (OH) radical scavenging-capacity determination, using iron-free OH radical source. Instead of the widely used Fenton reaction, a short (typically 5 seconds) in situ UV-photolysis of a dilute hydrogen peroxide aqueous solution was employed to generate reproducible amounts of OH radicals. ESR spin trapping was applied to quantify OH radicals; the decrease in the OH radical level due to the specimen’s scavenging activity was converted into the OH radical scavenging capacity (rate). The validity of the method was confirmed in pure antioxidants, and the agreement with the previous data was satisfactory. In the second half of this work, the new method was applied to the sera of chronic renal failure (CRF) patients. We show for the first time that after hemodialysis, OH radical scavenging capacity of the CRF serum was restored to the level of healthy control. This method is simple and rapid, and the low concentration hydrogen peroxide is the only chemical added to the system, that could eliminate the complexity of iron-involved Fenton reactions or the use of the pulse-radiolysis system. PMID:19794928

Reconstruction of Axial Energy Deposition in Magnetic Liner Inertial Fusion Based on PECOS Shadowgraph Unfolds Using the AMR Code FLASH

Science.gov (United States)

Adams, Marissa; Jennings, Christopher; Slutz, Stephen; Peterson, Kyle; Gourdain, Pierre; U. Rochester-Sandia Collaboration

2017-10-01

Magnetic Liner Inertial Fusion (MagLIF) experiments incorporate a laser to preheat a deuterium filled capsule before compression via a magnetically imploding liner. In this work, we focus on the blast wave formed in the fuel during the laser preheat component of MagLIF, where approximately 1kJ of energy is deposited in 3ns into the capsule axially before implosion. To model blast waves directly relevant to experiments such as MagLIF, we inferred deposited energy from shadowgraphy of laser-only experiments preformed at the PECOS target chamber using the Z-Beamlet laser. These energy profiles were used to initialize 2-dimensional simulations using by the adaptive mesh refinement code FLASH. Gradients or asymmetries in the energy deposition may seed instabilities that alter the fuel's distribution, or promote mix, as the blast wave interacts with the liner wall. The AMR capabilities of FLASH allow us to study the development and dynamics of these instabilities within the fuel and their effect on the liner before implosion. Sandia Natl Labs is managed by NTES of Sandia, LLC., a subsidiary of Honeywell International, Inc, for the U.S. DOEs NNSA under contract DE-NA0003525.

Missing Peroxy Radical Sources Within a Rural Forest Canopy

Science.gov (United States)

Wolfe, G. M.; Cantrell, C.; Kim, S.; Mauldin, R. L., III; Karl, T.; Harley, P.; Turnipseed, A.; Zheng, W.; Flocke, F.; Apel, E. C.;

Predicting Proton-Air Cross Sections at {radical}(s) {approx} 30 TeV Using Accelerator and Cosmic Ray Data

Energy Technology Data Exchange (ETDEWEB)

Block, M. M. [Department of Physics and Astronomy, Northwestern University, Evanston, Illinois 60208 (United States); Halzen, Francis [Physics Department, University of Wisconsin, Madison, Wisconsin 53706 (United States); Stanev, Todor [Bartol Research Institute, University of Delaware, Newark, Delaware 19716 (United States)

1999-12-13

We use the high-energy predictions of a QCD-inspired parametrization of all accelerator data on forward proton-proton and antiproton-proton scattering amplitudes, along with Glauber theory, to predict proton-air cross sections at energies near {radical}(s){approx_equal}30 TeV . The parametrization of the proton-proton cross section incorporates analyticity and unitarity and demands that the asymptotic proton is a black disk of soft partons. By comparing with the p -air cosmic ray measurements, our analysis results in a constraint on the inclusive particle production cross section. (c) 1999 The American Physical Society.

Absolute photoionization cross-section of the methyl radical.

Science.gov (United States)

Taatjes, Craig A; Osborn, David L; Selby, Talitha M; Meloni, Giovanni; Fan, Haiyan; Pratt, Stephen T

2008-10-02

The absolute photoionization cross-section of the methyl radical has been measured using two completely independent methods. The CH3 photoionization cross-section was determined relative to that of acetone and methyl vinyl ketone at photon energies of 10.2 and 11.0 eV by using a pulsed laser-photolysis/time-resolved synchrotron photoionization mass spectrometry method. The time-resolved depletion of the acetone or methyl vinyl ketone precursor and the production of methyl radicals following 193 nm photolysis are monitored simultaneously by using time-resolved synchrotron photoionization mass spectrometry. Comparison of the initial methyl signal with the decrease in precursor signal, in combination with previously measured absolute photoionization cross-sections of the precursors, yields the absolute photoionization cross-section of the methyl radical; sigma(CH3)(10.2 eV) = (5.7 +/- 0.9) x 10(-18) cm(2) and sigma(CH3)(11.0 eV) = (6.0 +/- 2.0) x 10(-18) cm(2). The photoionization cross-section for vinyl radical determined by photolysis of methyl vinyl ketone is in good agreement with previous measurements. The methyl radical photoionization cross-section was also independently measured relative to that of the iodine atom by comparison of ionization signals from CH3 and I fragments following 266 nm photolysis of methyl iodide in a molecular-beam ion-imaging apparatus. These measurements gave a cross-section of (5.4 +/- 2.0) x 10(-18) cm(2) at 10.460 eV, (5.5 +/- 2.0) x 10(-18) cm(2) at 10.466 eV, and (4.9 +/- 2.0) x 10(-18) cm(2) at 10.471 eV. The measurements allow relative photoionization efficiency spectra of methyl radical to be placed on an absolute scale and will facilitate quantitative measurements of methyl concentrations by photoionization mass spectrometry.

Ion beam deposited epitaxial thin silicon films

International Nuclear Information System (INIS)

Orrman-Rossiter, K.G.; Al-Bayati, A.H.; Armour, D.G.; Donnelly, S.E.; Berg, J.A. van den

1991-01-01

Deposition of thin films using low energy, mass-separated ion beams is a potentially important low temperature method of producing epitaxial layers. In these experiments silicon films were grown on Si (001) substrates using 10-200 eV 28 Si + and 30 Si + ions at substrate temperatures in the range 273-1073 K, under ultrahigh-vacuum conditions (deposition pressure -7 Pa). The film crystallinity was assessed in situ using medium energy ion scattering (MEIS). Films of crystallinity comparable to bulk samples were grown using 10-40 eV 28 Si + and 30 Si + ions at deposition temperatures in the range 623-823 K. These experiments confirmed the role of key experimental parameters such as ion energy, substrate temperature during deposition, and the surface treatment prior to deposition. It was found that a high temperature in situ anneal (1350-1450 K) gave the best results for epitaxial nucleation, whereas low energy (20-40 eV) Cl + ion bombardment resulted in amorphous film growth. The deposition energy for good epitaxial growth indicates that it is necessary to provide enough energy to induce local mobility but not to cause atomic displacements leading to the buildup of stable defects, e.g. divacancies, below the surface layer of the growing film. (orig.)

Radical transfer between proteins: role of tyrosine, tryptophan and protein peroxyl radicals

International Nuclear Information System (INIS)

Irwin, J.A.; Ostdal, H.; Davies, M.J.

1998-01-01

Reaction of the Fe(III) forms of the heme proteins myoglobin (Mb) and horseradish peroxidase (HRP) with H 2 O 2 gives rise to high-oxidation-state heme-derived species which can be described as a Fe(IV)-oxo porphyrin radical-cation ('Compound 1'). In the case of Mb, the Fe(IV)-oxo porphyrin radical-cation undergoes rapid electron transfer with the surrounding protein to give protein (globin)-derived radicals and an Fe(lV)-oxo species ('Compound 2'). The globin-derived radicals have been shown to be located at two (or more) sites: Tyr-103 or Trp-14, with the latter radical known to react with oxygen to give a Trp-derived peroxyl radical (Mb-Trp-OO*). With HRP, the Fe(lV)-oxo porphyrin radical-cation carries out two successive one-electron oxidation reactions at the exposed heme edge to give firstly 'Compound 2' [the Fe(lV)oxo species] and then the resting Fe(III) state of the enzyme. n this study we have investigated whether the Trp-14 peroxyl radical from Mb and the Compound 1 and 2 species from HRP (in the absence and presence of free Tyr) can oxidise amino acids, peptides and proteins. Such reactions constitute intermolecular protein-to-protein radical transfer reactions and hence protein chain-oxidation. We have also examined whether these oxidants react with antioxidants. Reaction of these heme-protein derived oxidants with amino acids, proteins and antioxidants has been carried out at room temperature for defined periods of time before freeze-quenching to 77K to halt reaction. The radical species present in the reaction system at the time of freezing were subsequently examined by EPR spectroscopy at 77K. Three free amino acids, Tyr, Trp and Cys (with Cys the least efficient) have been shown to react rapidly with Mb-Trp-OO*, as evidenced by the loss of the characteristic EPR features of Mb-Trp-OO* on inclusion of increasing concentrations of the amino acids. All other amino acids are much less reactive. Evidence has also been obtained for (inefficient) hydrogen

Photofragment imaging study of the CH2CCH2OH radical intermediate of the OH+allene reaction

International Nuclear Information System (INIS)

Raman, Arjun S.; Justine Bell, M.; Lau, K.-C.; Butler, Laurie J.

2007-01-01

These velocity map imaging experiments characterize the photolytic generation of one of the two radical intermediates formed when OH reacts via an addition mechanism with allene. The CH 2 CCH 2 OH radical intermediate is generated photolytically from the photodissociation of 2-chloro-2-propen-1-ol at 193 nm. Detecting the Cl atoms using [2+1] resonance-enhanced multiphoton ionization evidences an isotropic angular distribution for the Cl+CH 2 CCH 2 OH photofragments, a spin-orbit branching ratio for Cl( 2 P 1/2 ):Cl( 2 P 3/2 ) of 0.28, and a bimodal recoil kinetic energy distribution. Conservation of momentum and energy allows us to determine from this data the internal energy distribution of the nascent CH 2 CCH 2 OH radical cofragment. To assess the possible subsequent decomposition pathways of this highly vibrationally excited radical intermediate, we include electronic structure calculations at the G3//B3LYP level of theory. They predict the isomerization and dissociation transition states en route from the initial CH 2 CCH 2 OH radical intermediate to the three most important product channels for the OH+allene reaction expected from this radical intermediate: formaldehyde+C 2 H 3 , H+acrolein, and ethene+CHO. We also calculate the intermediates and transition states en route from the other radical adduct, formed by addition of the OH to the center carbon of allene, to the ketene+CH 3 product channel. We compare our results to a previous theoretical study of the O+allyl reaction conducted at the CBS-QB3 level of theory, as the two reactions include several common intermediates

Photofragment imaging study of the CH2CCH2OH radical intermediate of the OH +allene reaction

Science.gov (United States)

Raman, Arjun S.; Justine Bell, M.; Lau, Kai-Chung; Butler, Laurie J.

2007-10-01

These velocity map imaging experiments characterize the photolytic generation of one of the two radical intermediates formed when OH reacts via an addition mechanism with allene. The CH2CCH2OH radical intermediate is generated photolytically from the photodissociation of 2-chloro-2-propen-1-ol at 193nm. Detecting the Cl atoms using [2+1] resonance-enhanced multiphoton ionization evidences an isotropic angular distribution for the Cl +CH2CCH2OH photofragments, a spin-orbit branching ratio for Cl(P1/22):Cl(P3/22) of 0.28, and a bimodal recoil kinetic energy distribution. Conservation of momentum and energy allows us to determine from this data the internal energy distribution of the nascent CH2CCH2OH radical cofragment. To assess the possible subsequent decomposition pathways of this highly vibrationally excited radical intermediate, we include electronic structure calculations at the G3//B3LYP level of theory. They predict the isomerization and dissociation transition states en route from the initial CH2CCH2OH radical intermediate to the three most important product channels for the OH +allene reaction expected from this radical intermediate: formaldehyde+C2H3, H +acrolein, and ethene+CHO. We also calculate the intermediates and transition states en route from the other radical adduct, formed by addition of the OH to the center carbon of allene, to the ketene+CH3 product channel. We compare our results to a previous theoretical study of the O +allyl reaction conducted at the CBS-QB3 level of theory, as the two reactions include several common intermediates.

Homegrown religious radicalization

DEFF Research Database (Denmark)

Khawaja, Iram

It has been reported that a growing number of youngsters from Western Europe are engaging in conflicts motivated by religious and political conflicts in the Middle East. This paper explores the reasons behind this seemingly religious radicalization from the point of view of the youngsters...... youngsters and parents of youngsters who have chosen a radicalized path in life. The paper will shed light on how the sense of and yearning for belonging and recognition have to be taken into account in our understanding of homegrown religious radicalization...

Fast Resonance Raman Spectroscopy of a Free Radical

DEFF Research Database (Denmark)

Wilbrandt, Robert Walter; Pagsberg, Palle Bjørn; Hansen, K. B.

1975-01-01

The resonance Raman spectrum of a 10−3 molar solution of the stable diphenyl-pikryl-hydrazyl radical in benzene was obtained using a single laser pulse of 10 mJ energy and 600 ns duration from a flashlamp pumped tunable dye laser. Spectra were recorded using an image intensifier coupled to a TV...

Radicals mediated magnetism in Ar plasma treated high-density polyethylene

Science.gov (United States)

Orendáč, M.; Čižmár, E.; Kažiková, V.; Orendáčová, A.; Řezníčková, A.; Kolská, Z.; Švorčík, V.

2018-05-01

Electron-spin resonance of high-density polyethylene treated by Ar plasma at 300 K was performed in X-band at temperatures from 2.1 K to 290 K. The observed spectra suggest presence of allyl radicals, whereas the central peak may be attributed to polyenyl radicals or dangled bonds. Pronounced narrowing of the resonance line observed above glassy temperature of polyethylene may be ascribed to thermally activated motional effect with the activation energy Ea /kB = 160 K. The absence of strong exchange interactions is suggested by negligible exchange narrowing found at 2.1 K. The suggestion is supported by the analysis of the temperature dependence of the intensity at low temperatures, which is explicable assuming the coexistence of non-interacting radicals and S = 1/2 dimers with a distribution of antiferromagnetic couplings varying from 2 K to nominally 25 K.

Energy accumulating substances for increase of replacement factor of petroleum from layer on Kumkol deposit

International Nuclear Information System (INIS)

Yunusov, U.I.; Ospanov, E.S.; Nurabaev, B.K.; Ajshuakov, K.A.; Tursunkulov, Eh.T.

1997-01-01

Laboratory researches with using of alloys of energy accumulating substances are carried out with the purpose of petroleum output increase on Kumkol deposit. Factor of petroleum replacement within range from 79.5 to 82.0 % is received by use silico-barium, silico-calcium and ferro-silicium with alkali and aluminium. (author)

Laparoscopic radical trachelectomy.

Science.gov (United States)

Rendón, Gabriel J; Ramirez, Pedro T; Frumovitz, Michael; Schmeler, Kathleen M; Pareja, Rene

2012-01-01

The standard treatment for patients with early-stage cervical cancer has been radical hysterectomy. However, for women interested in future fertility, radical trachelectomy is now considered a safe and feasible option. The use of minimally invasive surgical techniques to perform this procedure has recently been reported. We report the first case of a laparoscopic radical trachelectomy performed in a developing country. The patient is a nulligravid, 30-y-old female with stage IB1 adenocarcinoma of the cervix who desired future fertility. She underwent a laparoscopic radical trachelectomy and bilateral pelvic lymph node dissection. The operative time was 340 min, and the estimated blood loss was 100mL. There were no intraoperative or postoperative complications. The final pathology showed no evidence of residual disease, and all pelvic lymph nodes were negative. At 20 mo of follow-up, the patient is having regular menses but has not yet attempted to become pregnant. There is no evidence of recurrence. Laparoscopic radical trachelectomy with pelvic lymphadenectomy in a young woman who desires future fertility may also be an alternative technique in the treatment of early cervical cancer in developing countries.

Surface free energy of TiC layers deposited by electrophoretic deposition (EPD)

Science.gov (United States)

Gorji, Mohammad Reza; Sanjabi, Sohrab

2018-01-01

In this study porous structure coatings of bare TiC (i.e. 20 nm, 0.7 µm and 5/45 µm) and core-shell structures of TiC/NiP synthesized through electroless plating were deposited by EPD. Room temperature surface free energy (i.e. γs) of TiC and TiC/NiP coatings were determined via measuring contact angles of distilled water and diiodemethane liquids. The effect of Ni-P shell on spreading behavior of pure copper on porous EPD structures was also investigated by high temperature wetting experiments. According to the results existence of a Ni-P layer around the TiC particles has led to roughness (i.e. at least 0.1 µm), and porosity mean length (i.e. at least 1 µm) increase. This might be related to various sizes of TiC agglomerates formed during electroless plating. It has been observed that room temperature γs changed from 44.49 to 54.12 mJ.m-2 as a consequence of particle size enlargement for TiC. The highest and lowest (67.25 and 44.49 mJ.m-2) γs were measured for TiC nanoparticles which showed 1.5 times increase in surface free energy after being plated with Ni-P. It was also observed that plating Ni-P altered non-spreading (θs > 100 o) behavior of TiC to full-spreading ((θs 0o)) which can be useful for preparation of hard coatings by infiltration sintering phenomenon. Zeta potential of EPD suspensions, morphology, phase structure and topography of as-EPD layers were investigated through Zetasizer, field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD) and atomic force microscopy (AFM) instruments respectively.

Electron energy deposition in the middle atmosphere

International Nuclear Information System (INIS)

Vampola, A.L.; Gorney, D.J.

1983-01-01

Spectra of locally precipating 36- to 317-keV electrons obtained by instrumentation on the S3-2 satellite are used to calculate energy deposition profiles as a function of latitude, longitude, and altitude. In the 70- to 90-km altitude, mid-latitude ionization due to these precipitating energetic electrons can be comparable to that due to direct solar H Lyman α. At night, the electrons produce ionization more than an order of magnitude greater than that expected from scattered H Lyman α. Maximum precipitation rates in the region of the South Atlantic Anomaly are of the order of 10 -2 erg/cm 2 s with a spectrum of form j(E) = 1.34 x 10 5 E/sup -2.27/ (keV). Southern hemisphere precipitation dominates that in the north for 1.1< L<6 except for regions of low local surface field in the northern hemisphere. Above L = 6, local time effects dominate: i.e., longitudinal effects due to the asymmetric magnetic field which are strong features below L = 6 disappear and are replaced by high-latitude precipitation events which are local time features

Comparison of Calibration of Sensors Used for the Quantification of Nuclear Energy Rate Deposition

International Nuclear Information System (INIS)

Brun, J.; Reynard-Carette, C.; Tarchalski, M.; Pytel, K.; Lyoussi, A.; Fourmentel, D.; Villard, J.F.; Jagielski, J.

2015-01-01

This present work deals with a collaborative program called GAMMA-MAJOR 'Development and qualification of a deterministic scheme for the evaluation of GAMMA heating in MTR reactors with exploitation as example MARIA reactor and Jules Horowitz Reactor' between the National Centre for Nuclear Research of Poland, the French Atomic Energy and Alternative Energies Commission and Aix Marseille University. One of main objectives of this program is to optimize the nuclear heating quantification thanks to calculation validated from experimental measurements of radiation energy deposition carried out in irradiation reactors. The quantification of the nuclear heating is a key data especially for the thermal, mechanical design and sizing of irradiation experimental devices in specific irradiated conditions and locations. The determination of this data is usually performed by differential calorimeters and gamma thermometers such as used in the experimental multi-sensors device called CARMEN 'Calorimetric en Reacteur et Mesures des Emissions Nucleaires'. In the framework of the GAMMA-MAJOR program a new calorimeter was designed for the nuclear energy deposition quantification. It corresponds to a single-cell calorimeter and it is called KAROLINA. This calorimeter was recently tested during an irradiation campaign inside MARIA reactor in Poland. This new single-cell calorimeter differs from previous CALMOS or CARMEN type differential calorimeters according to three main points: its geometry, its preliminary out-of-pile calibration, and its in-pile measurement method. The differential calorimeter, which is made of two identical cells containing heaters, has a calibration method based on the use of steady thermal states reached by simulating the nuclear energy deposition into the calorimeter sample by Joule effect; whereas the single-cell calorimeter, which has no heater, is calibrated by using the transient thermal response of the sensor (heating and cooling

Comparison of Calibration of Sensors Used for the Quantification of Nuclear Energy Rate Deposition

Energy Technology Data Exchange (ETDEWEB)

Brun, J.; Reynard-Carette, C. [Aix Marseille Universite, CNRS, Universite de Toulon, IM2NP UMR 7334, 13397, Marseille (France); Tarchalski, M.; Pytel, K. [National Centre for Nuclear Research A. Soltana 7, 05-400 Swierk (Poland); Lyoussi, A.; Fourmentel, D.; Villard, J.F. [CEA, DEN, DER, Instrumentation Sensors and Dosimetry Laboratory, Cadarache, F-13108 St-Paul-Lez-Durance (France); Jagielski, J. [National Centre for Nuclear Research A. Soltana 7, 05-400 Swierk (Poland); Institute of Electronic Materials Technolgy, Wolczynska 133, 01-919 Warszawa (Poland)

2015-07-01

This present work deals with a collaborative program called GAMMA-MAJOR 'Development and qualification of a deterministic scheme for the evaluation of GAMMA heating in MTR reactors with exploitation as example MARIA reactor and Jules Horowitz Reactor' between the National Centre for Nuclear Research of Poland, the French Atomic Energy and Alternative Energies Commission and Aix Marseille University. One of main objectives of this program is to optimize the nuclear heating quantification thanks to calculation validated from experimental measurements of radiation energy deposition carried out in irradiation reactors. The quantification of the nuclear heating is a key data especially for the thermal, mechanical design and sizing of irradiation experimental devices in specific irradiated conditions and locations. The determination of this data is usually performed by differential calorimeters and gamma thermometers such as used in the experimental multi-sensors device called CARMEN 'Calorimetric en Reacteur et Mesures des Emissions Nucleaires'. In the framework of the GAMMA-MAJOR program a new calorimeter was designed for the nuclear energy deposition quantification. It corresponds to a single-cell calorimeter and it is called KAROLINA. This calorimeter was recently tested during an irradiation campaign inside MARIA reactor in Poland. This new single-cell calorimeter differs from previous CALMOS or CARMEN type differential calorimeters according to three main points: its geometry, its preliminary out-of-pile calibration, and its in-pile measurement method. The differential calorimeter, which is made of two identical cells containing heaters, has a calibration method based on the use of steady thermal states reached by simulating the nuclear energy deposition into the calorimeter sample by Joule effect; whereas the single-cell calorimeter, which has no heater, is calibrated by using the transient thermal response of the sensor (heating and cooling

Radical Evil

Directory of Open Access Journals (Sweden)

Carlos Manrique

2007-12-01

Full Text Available There is an aporia in Kant’s analysis of evil: he defines radical evilas an invisible disposition of the will, but he also demands an inferential connection between visible evil actions and this invisible disposition. This inference,however, undermines the radical invisibility of radical evil according to Kant’s own definition of the latter. Noting how this invisibility of moral worth is a distinctive feature of Kant’s approach to the moral problem, the paper then asks why, in the Groundwork, he nonetheless forecloses a question about evil that seems to be consistent with this approach. It is argued that to account for this aporia and this foreclosure, one has to interrogate the way in which the category of religion orients Kant’s incipient philosophy of history in Die Religion.

Infrared Spectra of the n-PROPYL and i-PROPYL Radicals in Solid Para-Hydrogen

Science.gov (United States)

Pullen, Gregory T.; Franke, Peter R.; Douberly, Gary E.; Lee, Yuan-Pern

2017-06-01

We report the infrared spectra of the n-propyl and i-propyl radicals measured in solid para-hydrogen (p-H_2) matrices at 3.2 K. n-Propyl and i-propyl radicals were produced via the 248 nm irradiation of matrices formed by co-depositing p-H_2 and either 1-Iodopropane (n-propyl) or 2-Iodopropane (i-propyl). Secondary photolysis was used to group spectral lines all due to the same species. Lines in the C-H stretching region were compared to previous work using the Helium Nanodroplet Isolation (HENDI) technique, and are in excellent agreement. In addition to a few lines previously measured in Ar matrices, we observe many previously unreported bands below 2000 \\wn, which we attribute to the n-propyl and i-propyl radicals. The assignment of features below 2000 \\wn are made via comparisons to anharmonic VPT2+K frequency computations. Peter R. Franke, Daniel P. Tabor, Christopher P. Moradi, Gary E. Douberly, Jay Agarwal, Henry F. Schaefer III, and Edwin L. Sibert III, Journal of Chemical Physics 145, 224304 (2016).

Rotationally inelastic scattering of methyl radicals with Ar and N{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Tkáč, Ondřej; Orr-Ewing, Andrew J., E-mail: a.orr-ewing@bristol.ac.uk [School of Chemistry, University of Bristol, Cantock’s Close, Bristol BS8 1TS (United Kingdom); Ma, Qianli; Dagdigian, Paul J., E-mail: pjdagdigian@jhu.edu [Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218-2685 (United States); Stei, Martin [Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstraße 25, 6020 Innsbruck (Austria)

2015-01-07

The rotationally inelastic scattering of methyl radical with Ar and N{sub 2} is examined at collision energies of 330 ± 25 cm{sup −1} and 425 ± 50 cm{sup −1}, respectively. Differential cross sections (DCSs) were measured for different final n′ rotational levels (up to n′ = 5) of the methyl radicals, averaged over k′ sub-levels, using a crossed molecular beam machine with velocity map imaging. For Ar as a collision partner, we present a newly constructed ab initio potential energy surface and quantum mechanical scattering calculations of state-resolved DCSs. These computed DCSs agree well with the measurements. The DCSs for both Ar and N{sub 2} collision partners are strongly forward peaked for all spectroscopic lines measured. For scattering angles below 60°, the theoretical CD{sub 3}–Ar DCSs show diffraction oscillations that become less pronounced as n′ increases, but these oscillations are not resolved experimentally. Comparisons are drawn with our recently reported DCSs for scattering of methyl radicals with He atoms.

Energy deposition and radiation quality of radon and radon daughters. Final report

International Nuclear Information System (INIS)

Karam, L.R.; Caswell, R.S.

1996-01-01

This program was aimed at creating a quantitative physical description, at the micrometer and nanometer levels, of the physical interactions of the alpha particles from radon and its daughters with cells at risk in the bronchial epithelium. The authors calculated alpha-particle energy spectra incident upon the cells and also energy deposition spectra in micrometer- and nanometer-sized sites as a function of cell depth, site size, airway diameter, activities of 218 Po and 214 Po, and other parameters. These data are now being applied, using biophysical models of radiation effects, to predict cell killing, mutations, and cell transformation. The model predictions are then compared to experimental biophysical, biochemical, and biological information. These studies contribute to a detailed understanding of the mechanisms of the biological effectiveness of the radiations emitted by radon and its progeny

On the energy deposition into the plasma for an inverted fireball geometry

Science.gov (United States)

Levko, Dmitry; Gruenwald, Johannes

2017-10-01

Energy deposition into a plasma for an inverted fireball geometry is studied using a self-consistent two-dimensional Particle-in-Cell Monte Carlo collision model. In this model, the cathode is a pin which injects the fixed electron current and the anode is a hollow metal tube covered with the metal grid. We obtain an almost constant ratio between the densities of plasmas generated in the cathode-grid gap and inside the hollow anode. The results of the simulations show that there is no energy exchange between the beam and plasma electrons at low emission currents. For increasing current, however, we observe the increasing coupling between the electron beam and the thermal plasma electrons. This leads to the heating of plasma electrons and the generation of the so-called supra-thermal electrons.

SU-G-TeP3-13: The Role of Nanoscale Energy Deposition in the Development of Gold Nanoparticle-Enhanced Radiotherapy

International Nuclear Information System (INIS)

Kirkby, C; Koger, B; Suchowerska, N; McKenzie, D

2016-01-01

Purpose: Gold nanoparticles (GNPs) can enhance radiotherapy effects. The high photoelectric cross section of gold relative to tissue, particularly at lower energies, leads to localized dose enhancement. However in a clinical context, photon energies must also be sufficient to reach a target volume at a given depth. These properties must be balanced to optimize such a therapy. Given that nanoscale energy deposition patterns around GNPs play a role in determining biological outcomes, in this work we seek to establish their role in this optimization process. Methods: The PENELOPE Monte Carlo code was used to generate spherical dose deposition kernels in 1000 nm diameter spheres around 50 nm diameter GNPs in response to monoenergetic photons incident on the GNP. Induced “lesions” were estimated by either a local effect model (LEM) or a mean dose model (MDM). The ratio of these estimates was examined for a range of photon energies (10 keV to 2 MeV), for three sets of linear-quadratic parameters. Results: The models produce distinct differences in expected lesion values, the lower the alpha-beta ratio, the greater the difference. The ratio of expected lesion values remained constant within 5% for energies of 40 keV and above across all parameter sets and rose to a difference of 35% for lower energies only for the lowest alpha-beta ratio. Conclusion: Consistent with other work, these calculations suggest nanoscale energy deposition patterns matter in predicting biological response to GNP-enhanced radiotherapy. However the ratio of expected lesions between the different models is largely independent of energy, indicating that GNP-enhanced radiotherapy scenarios can be optimized in photon energy without consideration of the nanoscale patterns. Special attention may be warranted for energies of 20 keV or below and low alpha-beta ratios.

SU-G-TeP3-13: The Role of Nanoscale Energy Deposition in the Development of Gold Nanoparticle-Enhanced Radiotherapy

Energy Technology Data Exchange (ETDEWEB)

Kirkby, C [Jack Ady Cancer Centre, Lethbridge, AB (Canada); The University of Calgary, Calgary, AB (Canada); Koger, B [The University of Calgary, Calgary, AB (Canada); Suchowerska, N [Chris O’Brien Lifehouse Camperdown, NSW (Australia); McKenzie, D [University of Sydney, Sydney, NSW (Australia)

2016-06-15

Purpose: Gold nanoparticles (GNPs) can enhance radiotherapy effects. The high photoelectric cross section of gold relative to tissue, particularly at lower energies, leads to localized dose enhancement. However in a clinical context, photon energies must also be sufficient to reach a target volume at a given depth. These properties must be balanced to optimize such a therapy. Given that nanoscale energy deposition patterns around GNPs play a role in determining biological outcomes, in this work we seek to establish their role in this optimization process. Methods: The PENELOPE Monte Carlo code was used to generate spherical dose deposition kernels in 1000 nm diameter spheres around 50 nm diameter GNPs in response to monoenergetic photons incident on the GNP. Induced “lesions” were estimated by either a local effect model (LEM) or a mean dose model (MDM). The ratio of these estimates was examined for a range of photon energies (10 keV to 2 MeV), for three sets of linear-quadratic parameters. Results: The models produce distinct differences in expected lesion values, the lower the alpha-beta ratio, the greater the difference. The ratio of expected lesion values remained constant within 5% for energies of 40 keV and above across all parameter sets and rose to a difference of 35% for lower energies only for the lowest alpha-beta ratio. Conclusion: Consistent with other work, these calculations suggest nanoscale energy deposition patterns matter in predicting biological response to GNP-enhanced radiotherapy. However the ratio of expected lesions between the different models is largely independent of energy, indicating that GNP-enhanced radiotherapy scenarios can be optimized in photon energy without consideration of the nanoscale patterns. Special attention may be warranted for energies of 20 keV or below and low alpha-beta ratios.

Quantum Chemical Benchmarking, Validation, and Prediction of Acidity Constants for Substituted Pyridinium Ions and Pyridinyl Radicals.

Science.gov (United States)

Keith, John A; Carter, Emily A

2012-09-11

Sensibly modeling (photo)electrocatalytic reactions involving proton and electron transfer with computational quantum chemistry requires accurate descriptions of protonated, deprotonated, and radical species in solution. Procedures to do this are generally nontrivial, especially in cases that involve radical anions that are unstable in the gas phase. Recently, pyridinium and the corresponding reduced neutral radical have been postulated as key catalysts in the reduction of CO2 to methanol. To assess practical methodologies to describe the acid/base chemistry of these species, we employed density functional theory (DFT) in tandem with implicit solvation models to calculate acidity constants for 22 substituted pyridinium cations and their corresponding pyridinyl radicals in water solvent. We first benchmarked our calculations against experimental pyridinium deprotonation energies in both gas and aqueous phases. DFT with hybrid exchange-correlation functionals provide chemical accuracy for gas-phase data and allow absolute prediction of experimental pKas with unsigned errors under 1 pKa unit. The accuracy of this economical pKa calculation approach was further verified by benchmarking against highly accurate (but very expensive) CCSD(T)-F12 calculations. We compare the relative importance and sensitivity of these energies to selection of solvation model, solvation energy definitions, implicit solvation cavity definition, basis sets, electron densities, model geometries, and mixed implicit/explicit models. After determining the most accurate model to reproduce experimentally-known pKas from first principles, we apply the same approach to predict pKas for radical pyridinyl species that have been proposed relevant under electrochemical conditions. This work provides considerable insight into the pitfalls using continuum solvation models, particularly when used for radical species.

The development of the Ptolemais lignite deposit, present situation and future perspective of the electrical energy market (Greece)

International Nuclear Information System (INIS)

Kavourides, Kostas

1997-01-01

PPC is by far the major producer of solid fuels in Greece. Currently the known exploitable reserves of solid fuels, are 4,0 billions tones of lignite and 4 billion cubic meters of peat. Mining of Lignite in Greece started in 1951 at the Aliveri underground mine and was continued at the open cast mines at Ptolemais (1955) and Megalopolis (1919). For more than 45 years. PPC has successfully exploited the Greece Lignite deposit for the production of electricity in order to satisfy the demand in Greece. Today PPC produces 60 million tons of lignite and handles approximately 275 million cubic meters of masses (overburden, lignite and interculated) per year. Lignite is the main energy resource in Greece and its combustion provides 75-80% of the electrical energy consumed in Greece.The Lignite Center of Ptolemais - Amyndeon (LCP-A) operated by the Greece PPC is located in northern Greece, about 110 km west of the city of Thessaloniki. The lignite deposits under exploitation cover an area. of 120 km 2 including 4000 Mt of proven geological reserves and 2700 Mt of exploitable lignite under current economic and technological criteria. Today LCP-A manages six active mines which in 1997 have a rate of handling 245 mil cubic meter of material and producing approx. 48 mil for of lignite. The continuous mining method which employs BWES, conveyors and strackers is the principal mining method used in all the lignite mines at the Ptolemais-Amyndeon Lignite Center. The implementation of selective mining procedures as well as discontinuous and /or combined mining methods differentiates the mining technology at the LCP-A from the respective technology applied in Germany lignite mines. The quality properties suggest that the lignite deposits in Greece are among the world's worst quality deposits exploited for energy production, where approximately 2 kg of lignite are consumed per I kWh of generated power. The main advantages of PPC'S coal orientated development program are the following

Studies on high electronic energy deposition in transparent conducting indium tin oxide thin films

Energy Technology Data Exchange (ETDEWEB)

Deshpande, N G [Thin Film and Nanotechnology Laboratory, Department of Physics, Dr Babasaheb Ambedkar Marathwada University, Aurangabad-431004 (MS) (India); Gudage, Y G [Thin Film and Nanotechnology Laboratory, Department of Physics, Dr Babasaheb Ambedkar Marathwada University, Aurangabad-431004 (MS) (India); Ghosh, A [Thin Film and Nanotechnology Laboratory, Department of Physics, Dr Babasaheb Ambedkar Marathwada University, Aurangabad-431004 (MS) (India); Vyas, J C [Technical and Prototype Engineering Division, Bhabha Atomic Research Center, Trombay, Mumbai (MS) (India); Singh, F [Inter-University Accelerator Center, Aruna Asaf Ali Marg, Post Box 10502, New Delhi 110067 (India); Tripathi, A [Inter-University Accelerator Center, Aruna Asaf Ali Marg, Post Box 10502, New Delhi 110067 (India); Sharma, Ramphal [Thin Film and Nanotechnology Laboratory, Department of Physics, Dr Babasaheb Ambedkar Marathwada University, Aurangabad-431004 (MS) (India)

2008-02-07

We have examined the effect of swift heavy ions using 100 MeV Au{sup 8+} ions on the electrical properties of transparent, conducting indium tin oxide polycrystalline films with resistivity of 0.58 x 10{sup -4} {omega} cm and optical transmission greater than 78% (pristine). We report on the modifications occurring after high electronic energy deposition. With the increase in fluency, x-ray line intensity of the peaks corresponding to the planes (1 1 0), (4 0 0), (4 4 1) increased, while (3 3 1) remained constant. Surface morphological studies showed a pomegranate structure of pristine samples, which was highly disturbed with a high dose of irradiation. For the high dose, there was a formation of small spherical domes uniformly distributed over the entire surface. The transmittance was seen to be decreasing with the increase in ion fluency. At higher doses, the resistivity and photoluminescence intensity was seen to be decreased. In addition, the carrier concentration was seen to be increased, which was in accordance with the decrease in resistivity. The observed modifications after high electronic energy deposition in these films may lead to fruitful device applications.

Studies on high electronic energy deposition in transparent conducting indium tin oxide thin films

International Nuclear Information System (INIS)

Deshpande, N G; Gudage, Y G; Ghosh, A; Vyas, J C; Singh, F; Tripathi, A; Sharma, Ramphal

2008-01-01

We have examined the effect of swift heavy ions using 100 MeV Au 8+ ions on the electrical properties of transparent, conducting indium tin oxide polycrystalline films with resistivity of 0.58 x 10 -4 Ω cm and optical transmission greater than 78% (pristine). We report on the modifications occurring after high electronic energy deposition. With the increase in fluency, x-ray line intensity of the peaks corresponding to the planes (1 1 0), (4 0 0), (4 4 1) increased, while (3 3 1) remained constant. Surface morphological studies showed a pomegranate structure of pristine samples, which was highly disturbed with a high dose of irradiation. For the high dose, there was a formation of small spherical domes uniformly distributed over the entire surface. The transmittance was seen to be decreasing with the increase in ion fluency. At higher doses, the resistivity and photoluminescence intensity was seen to be decreased. In addition, the carrier concentration was seen to be increased, which was in accordance with the decrease in resistivity. The observed modifications after high electronic energy deposition in these films may lead to fruitful device applications

Radical constructivism: Between realism and solipsism

Science.gov (United States)

Martínez-Delgado, Alberto

2002-11-01

This paper criticizes radical constructivism of the Glasersfeld type, pointing out some contradictions between the declared radical principles and their theoretical and practical development. These contradictions manifest themselves in a frequent oscillation between solipsism and realism, despite constructivist claims to be an anti-realist theory. The paper also points out the contradiction between the relativism of the radical constructivist principles and the constructivist exclusion of other epistemological or educational paradigms. It also disputes the originality and importance of the radical constructivist paradigm, suggesting the idea of an isomorphism between radical constructivist theory and contemplative realism. In addition, some pedagogical and scientific methodological aspects of the radical constructivist model are examined. Although radical constructivism claims to be a rational theory and advocates deductive thinking, it is argued that there is no logical deductive connection between the radical principles of constructivism and the radical constructivist ideas about scientific research and learning. The paper suggests the possibility of an ideological substratum in the construction and hegemonic success of subjective constructivism and, finally, briefly advances an alternative realist model to epistemological and educational radical constructivism.

COMPUTATIONAL STUDY OF INTERSTELLAR GLYCINE FORMATION OCCURRING AT RADICAL SURFACES OF WATER-ICE DUST PARTICLES

Energy Technology Data Exchange (ETDEWEB)

Rimola, Albert; Sodupe, Mariona [Departament de Quimica, Universitat Autonoma de Barcelona, 08193 Bellaterra (Spain); Ugliengo, Piero, E-mail: albert.rimola@uab.cat [Dipartimento di Chimica, NIS Centre of Excellence and INSTM (Materials and Technology National Consortium), UdR Torino, Universita di Torino, Via P. Giuria 7, 10125 Torino (Italy)

2012-07-20

Glycine is the simplest amino acid, and due to the significant astrobiological implications that suppose its detection, the search for it in the interstellar medium (ISM), meteorites, and comets is intensively investigated. In the present work, quantum mechanical calculations based on density functional theory have been used to model the glycine formation on water-ice clusters present in the ISM. The removal of either one H atom or one electron from the water-ice cluster has been considered to simulate the effect of photolytic radiation and of ionizing particles, respectively, which lead to the formation of OH{sup .} radical and H{sub 3}O{sup +} surface defects. The coupling of incoming CO molecules with the surface OH{sup .} radicals on the ice clusters yields the formation of the COOH{sup .} radicals via ZPE-corrected energy barriers and reaction energies of about 4-5 kcal mol{sup -1} and -22 kcal mol{sup -1}, respectively. The COOH{sup .} radicals couple with incoming NH=CH{sub 2} molecules (experimentally detected in the ISM) to form the NHCH{sub 2}COOH{sup .} radical glycine through energy barriers of 12 kcal mol{sup -1}, exceedingly high at ISM cryogenic temperatures. Nonetheless, when H{sub 3}O{sup +} is present, one proton may be barrierless transferred to NH=CH{sub 2} to give NH{sub 2}=CH{sub 2}{sup +}. This latter may react with the COOH{sup .} radical to give the NH{sub 2}CH{sub 2}COOH{sup +.} glycine radical cation which can then be transformed into the NH{sub 2}CHC(OH){sub 2}{sup +.} species (the most stable form of glycine in its radical cation state) or into the NH{sub 2}CHCOOH{sup .} neutral radical glycine. Estimated rate constants of these events suggest that they are kinetically feasible at temperatures of 100-200 K, which indicate that their occurrence may take place in hot molecular cores or in comets exposed to warmer regions of solar systems. Present results provide quantum chemical evidence that defects formed on water ices due to the harsh

Conserving Coherence and Storing Energy during Internal Conversion: Photoinduced Dynamics of cis- and trans-Azobenzene Radical Cations

KAUST Repository

Munkerup, Kristin

2017-10-24

Light harvesting via energy storage in azobenzene has been a key topic for decades, and the process of energy distribution over the molecular degrees of freedom following photoexcitation remains to be understood. Dynamics of a photoexcited system can exhibit high degrees of non-ergodicity when it is driven by just a few degrees of freedom. Typically, an internal conversion leads to the loss of such localization of dynamics, as the intramolecular energy becomes statistically redistributed over all molecular degrees of freedom. Here, we present a unique case where the excitation energy remains localized even subsequent to internal conversion. Strong-field ionization is used to prepare cis- and trans-azobenzene radical cations on the D1 surface with little excess energy, at the equilibrium neutral geometry. These D1 ions are preferably formed because in this case D1 and D0 switch place in the presence of the strong laser field. The post-ionization dynamics is dictated by the potential energy landscape. The D1 surface is steep downhill along the cis/trans isomerization coordinate and towards a common minimum shared by the two isomers in the region of D1/D0 conical intersection. Coherent cis/trans torsional motion along this coordinate is manifested in the ion transients by a cosine modulation. In this scenario, D0 becomes populated with molecules that are energized mainly along the cis-trans isomerization coordinate, with the kinetic energy above the cis-trans inter-conversion barrier. These activated azobenzene molecules easily cycle back and forth along the D0 surface, and give rise to several periods of modulated signal before coherence is lost. This persistent localization of the internal energy during internal conversion is provided by the steep downhill potential energy surface, small initial internal energy content, and a strong hole-lone pair interaction that drives the molecule along the cis-trans isomerization coordinate to facilitate the transition between

Topography and surface free energy of DPPC layers deposited on a glass, mica, or PMMA support.

Science.gov (United States)

Jurak, Malgorzata; Chibowski, Emil

2006-08-15

An investigation of energetic properties of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) layers deposited on glass, mica, and PMMA (poly(methyl methacrylate)) surfaces was carried out by means of contact angles measurements (advancing and receding) for three probe liquids (diiodomethane, water, and formamide). DPPC was deposited on the surfaces from water (on glass and mica) or methanol (on PMMA) solutions. The topography of the tested surfaces was determined with a help of scanning electron microscopy (SEM) and atomic force microscopy (AFM). Using the measured contact angles, the total apparent surface free energy and its components of the studied layers were determined from van Oss et al.'s (Lifshitz-van der Waals and acid-base components, LWAB) and contact angle hysteresis (CAH) approaches. It allowed us to learn about changes in the surface free energy of the layers (hydrophobicity/hydrophilicity) depending on their number and kind of support. It was found that the changes in the energy greatly depended on the surface properties of the substrate as well as the statistical number of monolayers of DPPC. However, principal changes took place for first three monolayers.

Investigation of free-radical processes in low temperature radiolysis of copolymers of ethylene with styrene

International Nuclear Information System (INIS)

Mal'tseva, A.P.; Golikov, V.P.; Leshchenko, S.S.; Karpov, V.L.; Muromtsev, V.I.

1977-01-01

Free radical processes during γ-radiolysis of statistical ethylene-styrene copolimers (ESC) have been investigated. The presence of styrene links in the ESC has been shown to reduce both radical yields and their reaction ability as compared with low density polyethylene irradiated under the same conditions. The character of radical processes in ESC sighificantly depends both on styrene concentration in them and on the dose absorbed. The most pronounced decrease in radical yield is found in the copolymer having 5 mol % styrene. This effect seems to be caused by the accumulation in the irradiated copolymer of products which are capable of more effective dissipation of absorbed energy than only styrene links alone

Calculation of neutron radiation energy deposition distribution in subcellular parts of tissue using recombination chamber microdosimetry

International Nuclear Information System (INIS)

Golnik, N.; Zielczynski, M.

1999-01-01

Recombination chamber microdosimetry was used as an instrument for determination of local neutron radiation energy deposition distribution. The method allows to simulate of subcellular regions of tissue of the order of 70 nm in size. The results obtained qualitatively correspond to relationship between biological efficiency and neutron energy, and show regular differences of distributions achieved by the recombination method and distributions measured using tissue equivalent proportional counters (TEPC), which simulates greater tissue regions of 1 μm in size

High-energy high-rate pulsed-power processing of materials by powder consolidation and by railgun deposition. Technical report (Final), 10 April 1985-10 February 1987

Energy Technology Data Exchange (ETDEWEB)

Persad, C.; Marcus, H.L.; Weldon, W.F.

1987-03-31

This exploratory research program was initiated to investigate the potential of using pulse power sources for powder consolidation, deposition and other high-energy high-rate processing. The characteristics of the high-energy-high-rate (1MJ/s) powder consolidation using megampere current pulses from a homopolar generator, were defined. Molybdenum Alloy TZM, a nickel-based metallic glass, copper/graphite composites, and P/M aluminum alloy X7091 were investigated. The powder-consolidation process produced high densification rates. Density values of 80% to 99% could be obtained with subsecond high-temperature exposure. Specific energy input and applied pressure were controlling process parameters. Time temperature transformation (TTT) concepts underpin a fundamental understanding of pulsed power processing. Inherent control of energy input, and time-to-peak processing temperature developed to be held to short times. Deposition experiments were conducted using an exploding-foil device (EFD) providing an armature feed to railgun mounted in a vacuum chamber. The material to be deposited - in plasma, gas, liquid, or solid state - was accelerated electromagnetically in the railgun and deposited on a substrate. Deposits of a wide variety of single- and multi-specie materials were produced on several types of substrates. In a series of ancillary experiments, pulsed-skin-effect heating and self quenching of metallic conductors was discovered to be a new means of surface modification by high-energy high-rate-processing.

Optimization of laser energy deposition for single-shot high aspect-ratio microstructuring of thick BK7 glass

Energy Technology Data Exchange (ETDEWEB)

Garzillo, Valerio; Grigutis, Robertas [Dipartimento di Scienza e Alta Tecnologia, University of Insubria, Via Valleggio 11, I-22100 Como (Italy); Jukna, Vytautas [Centre de Physique Theorique, CNRS, Ecole Polytechnique, Université Paris-Saclay, F-91128 Palaiseau (France); LOA, ENSTA-ParisTech, CNRS, Ecole Polytechnique, Université Paris Saclay, F-91762 Palaiseau (France); Couairon, Arnaud [Centre de Physique Theorique, CNRS, Ecole Polytechnique, Université Paris-Saclay, F-91128 Palaiseau (France); Di Trapani, Paolo [Dipartimento di Scienza e Alta Tecnologia, University of Insubria and CNISM UdR Como, Via Valleggio 11, I-22100 Como (Italy); Jedrkiewicz, Ottavia, E-mail: ottavia.jedrkiewicz@ifn.cnr.it [Istituto di Fotonica e Nanotecnologie, CNR and CNISM UdR Como, Via Valleggio 11, I-22100 Como (Italy)

2016-07-07

We investigate the generation of high aspect ratio microstructures across 0.7 mm thick glass by means of single shot Bessel beam laser direct writing. We study the effect on the photoinscription of the cone angle, as well as of the energy and duration of the ultrashort laser pulse. The aim of the study is to optimize the parameters for the writing of a regular microstructure due to index modification along the whole sample thickness. By using a spectrally resolved single pulse transmission diagnostics at the output surface of the glass, we correlate the single shot material modification with observations of the absorption in different portions of the retrieved spectra, and with the absence or presence of spectral modulation. Numerical simulations of the evolution of the Bessel pulse intensity and of the energy deposition inside the sample help us interpret the experimental results that suggest to use picosecond pulses for an efficient and more regular energy deposition. Picosecond pulses take advantage of nonlinear plasma absorption and avoid temporal dynamics effects which can compromise the stationarity of the Bessel beam propagation.

Transmission of Free Radicals through and Damage to Freestanding Single and Multilayer Dielectric Film

Science.gov (United States)

Choudhury, Faraz Anwar

and FTIR measurements both reveal that the oxygen plasma exposure leads to surface oxidation of the silicon dioxide film and the formation of a denser surface layer which restricts the transmission of the radicals through the film. It was found that the extent of modification of the film partially depends on the radical dose. The calculated enthalpies of the reactions show that they are all exothermic reactions, however, the radicals need enough energy to overcome the activation energy for the reaction to take place.

Salvage robotic radical prostatectomy

Directory of Open Access Journals (Sweden)

Samuel D Kaffenberger

2014-01-01

Full Text Available Failure of non-surgical primary treatment for localized prostate cancer is a common occurrence, with rates of disease recurrence ranging from 20% to 60%. In a large proportion of patients, disease recurrence is clinically localized and therefore potentially curable. Unfortunately, due to the complex and potentially morbid nature of salvage treatment, radical salvage surgery is uncommonly performed. In an attempt to decrease the morbidity of salvage therapy without sacrificing oncologic efficacy, a number of experienced centers have utilized robotic assistance to perform minimally invasive salvage radical prostatectomy. Herein, we critically evaluate the existing literature on salvage robotic radical prostatectomy with a focus on patient selection, perioperative complications and functional and early oncologic outcomes. These results are compared with contemporary and historical open salvage radical prostatectomy series and supplemented with insights we have gained from our experience with salvage robotic radical prostatectomy. The body of evidence by which conclusions regarding the efficacy and safety of robotic salvage radical prostatectomy can be drawn comprises fewer than 200 patients with limited follow-up. Preliminary results are promising and some outcomes have been favorable when compared with contemporary open salvage prostatectomy series. Advantages of the robotic platform in the performance of salvage radical prostatectomy include decreased blood loss, short length of stay and improved visualization. Greater experience is required to confirm the long-term oncologic efficacy and functional outcomes as well as the generalizability of results achieved at experienced centers.

Depth determination of low-energy photon emitter deposits in tissue by means of high-resolution X-ray spectrometry

International Nuclear Information System (INIS)

Schlueter, W.

1982-01-01

A method has been developed for ascertaining the depth of low-energy photon emitters deposited in wounds. It is based on the determination of the energy-dependent absorption of the emitted photons by the tissue separating source and detector. The method is applicable to counting for low-energy photon-emitting nuclides that can be characterized by more than one quantum energy. Attenuation coefficients were given for lard, beef, and five tissue- equivalent materials. For spectrometry, a planar Ge(Li) detector proved most suitable. (author)

Theoretical modelling of carbon deposition processes

International Nuclear Information System (INIS)

Marsh, G.R.; Norfolk, D.J.; Skinner, R.F.

1985-01-01

Work based on capsule experiments in the BNL Gamma Facility, aimed at elucidating the chemistry involved in the formation of carbonaceous deposit on CAGR fuel pin surfaces is described. Using a data-base derived from capsule experiments together with literature values for the kinetics of the fundamental reactions, a chemical model of the gas-phase processes has been developed. This model successfully reproduces the capsule results, whilst preliminary application to the WAGR coolant circuit indicates the likely concentration profiles of various radical species within the fuel channels. (author)

Muonium and muonic radicals

International Nuclear Information System (INIS)

Burkhard, P.; Fischer, H.; Roduner, E.; Strub, W.; Geeson, D.; Symons, M.C.R.

1985-01-01

An energetic positive muon which is injected in a liquid sample of substrate molecules (S) creates an ionization track consisting of substrate cations (S + ) and electrons. Near the end of this track the muon may combine with an electron to form muonium (Mu) which is observable in inert liquids, but which reacts by addition to form a radical. Alternatively, the electron can add to S to form S - , which then combines with the muon to form the radical. Furthermore, instead of ending up in Mu or in a radical the muon may stay in a diamagnetic environment as a solvated muon, or as a muon substituting a proton in a molecule. Of interest in these schemes are the mechanisms and rates of formation of muonated radicals and in particular the rate constants for their reactions to products. Investigations are based on the observation of Mu and the radical by means of the μSR technique in transverse magnetic fields. (Auth.)

Effect of water side deposits on the energy performance of coal fired thermal power plants

International Nuclear Information System (INIS)

Bhatt, M. Siddhartha

2006-01-01

This paper presents the effects of water side deposits in the 210 MW coal fired thermal power plant components (viz., boiler, turbine, feed water heaters, condensers and lube oil coolers) on the energy efficiency of these components and that of the overall system at 100% maximum continuous rating (MCR). The origin, composition and rate of build up of deposits on the water side are presented. A linear growth rate of deposits is assumed for simplicity. The effects of the reduction in heat transfer, increased pressure drop and increased pumping power/reduced power output in the components are quantified in the form of curve fits as functions of the deposit thickness (μm). The reduction in heat transfer in the boiler components is in the range of 0.2-2.0% under normal scaling. The increased pumping power is of the order of 0.6-7.6% in the boiler components, 29% in the BFP circuit, 26% in the LPH circuit, 21% in the HPH circuit and 18% in the lube oil cooler circuits. The effects on the overall coal fired plant is quantified through functional relations between the efficiencies and the notional deposit thickness. The sensitivity indices to the notional deposit thickness are: boiler efficiency: -0.0021% points/μm, turbine circuit efficiency: -0.0037% points/μm, auxiliary power efficiency: -0.00129% points/μm, gross overall efficiency: -0.0039% points/μm and net overall efficiency: -0.0040% points/μm. The overall effect of scale build up is either increased power input of ∼68 kW/μm (at a constant power output) or decreased power output ∼25 kW/μm (at a constant power input). Successful contaminant control techniques are highlighted. Capacity reduction effects due to water side deposits are negligible

Leghemoglobin-derived radicals. Evidence for multiple protein-derived radicals and the initiation of peribacteroid membrane damage

DEFF Research Database (Denmark)

Moreau, S; Davies, Michael Jonathan; Mathieu, C

1996-01-01

, with the consequent generation of lipid-derived radicals. The formation of such radicals may result in the depletion of membrane antioxidants and the initiation of lipid peroxidation. This transfer of damage from the heme center via the protein surface to neighboring membranes may be of considerable biological......-derived phenoxyl radical present at Tyr-133 in the soybean protein and Tyr-138 in the lupin protein. To obtain further information on these protein radicals and their potential interaction with the physiologically important peribacteroid membrane (which surrounds the microsymbiont in vivo), EPR spin trapping......); these radicals may be side chain- or alpha-carbon-derived, their exact sites have not been determined. Some of these radicals are on the protein surface and may be key intermediates in the formation of protein dimers. These radicals have been shown to be capable of reacting with peribacteroid membrane fractions...

Studies of radiation-produced radicals and radical ions. Progress report, June 1, 1981-August 31, 1982

International Nuclear Information System (INIS)

Williams, T.F.

1982-01-01

The discovery and characterization of novel radical ions produced by the γ irradiation of solids continues to be a fertile field for investigation. This Progress Report describes the generation and ESR identification of several new paramagnetic species, some of which have long been sought as important intermediates in radiation chemistry. We have also contributed to a general theoretical problem in ESR spectroscopy. Solid-state studies of electron attachment reactions, both non-dissociative and dissociative, reveal interesting structural and chemical information about the molecular nature of these processes for simple compounds. In particular, ESR measurements of the spin distribution in the products allow a fairly sharp distinction to be drawn between radical anions and radical-anion pairs or adducts. Dimer radical anion formation can also take place but the crystal structure plays a role in this process, as expected. Some radical anions undergo photolysis to give radical-anion pairs which may then revert back to the original radical anion by a thermal reaction. The chemistry of these reversible processes is made more intricate by a competing reaction in which the radical abstracts a hydrogen atom from a neighboring molecule. However, the unraveling of this complication has also served to extend our knowledge of the role of quantum tunneling in chemical reactions. The results of this investigation testify to the potential of solid-state techniques for the study of novel and frangible radical ions. Progress in this field shows no sign of abating, as witness the recent discovery of perfluorocycloalkane radical anions and alkane radical cations

Muonium-containing vinyl radicals

International Nuclear Information System (INIS)

Rhodes, C.J.; Symons, M.C.R.; Roduner, E.; Heming, M.

1987-01-01

Exposure of trimethylsilylacetylene and bis(trimethylsilyl)acetylene to positive muons gave radicals whose muon-electron hyperfine coupling constants establish that the corresponding vinyl radicals were formed. (author)

Radicals in arithmetic

NARCIS (Netherlands)

W.J. Palenstijn (Willem Jan)

2014-01-01

htmlabstractLet K be a field. A radical is an element of the algebraic closure of K of which a power is contained in K. In this thesis we develop a method for determining what we call entanglement. This describes unexpected additive relations between radicals, and is encoded in an entanglement

Measurement and Simulation of the Variation in Proton-Induced Energy Deposition in Large Silicon Diode Arrays

Science.gov (United States)

Howe, Christina L.; Weller, Robert A.; Reed, Robert A.; Sierawski, Brian D.; Marshall, Paul W.; Marshall, Cheryl J.; Mendenhall, Marcus H.; Schrimpf, Ronald D.

2007-01-01

The proton induced charge deposition in a well characterized silicon P-i-N focal plane array is analyzed with Monte Carlo based simulations. These simulations include all physical processes, together with pile up, to accurately describe the experimental data. Simulation results reveal important high energy events not easily detected through experiment due to low statistics. The effects of each physical mechanism on the device response is shown for a single proton energy as well as a full proton space flux.

Magnetic Resonance Studies of Proton Loss from Carotenoid Radical Cations

Energy Technology Data Exchange (ETDEWEB)

Kispert, Lowell D [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Focsan, A Ligia [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Konovalova, Tatyana A [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lawrence, Jesse [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Bowman, Michael K [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Dixon, David A [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Molnar, Peter [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Deli, Jozsef [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2007-06-11

Carotenoids, intrinsic components of reaction centers and pigment-protein complexes in photosynthetic membranes, play a photoprotective role and serve as a secondary electron donor. Before optimum use of carotenoids can be made in artificial photosynthetic systems, their robust nature in living materials requires extensive characterization of their electron transfer, radical trapping ability, stability, structure in and on various hosts, and photochemical behavior. Pulsed ENDOR and 2D-HYSCORE studies combined with DFT calculations reveal that photo-oxidation of natural zeaxanthin (I) and violaxanthin (II) on silica-alumina produces not only the carotenoid radical cations (Car•+) but also neutral radicals (#Car•) by proton loss from the methyl groups at positions 5 or 5', and possibly 9 or 9' and 13 or 13'. Notably, the proton loss favored in I at the 5 position by DFT calculations, is unfavorable in II due to the epoxide at the 5, 6 position. DFT calculations predict the isotropic methyl proton couplings of 8-10 MHz for Car•+ which agree with the ENDOR for carotenoid α-conjugated radical cations. Large α-proton hyperfine coupling constants (>10 MHz) determined from HYSCORE are assigned from the DFT calculations to neutral carotenoid radicals. Proton loss upon photolysis was also examined as a function of carotenoid polarity [Lycopene (III) versus 8'-apo-β-caroten-8'-al (IV)]; hydrogen bonding [Lutein (V) versus III]; host [silica-alumina versus MCM-41 molecular sieve]; and substituted metal in MCM-41. Loss of H+ from the 5(5'), 9(9') or 13(13') methyl positions has importance in photoprotection. Photoprotection involves nonphotochemical quenching (NPQ) in which 1Ch1* decays via energy transfer to the carotenoid which returns to the ground state by thermal dissipation; or via electron transfer to form a charge transfer state (I •+…Chl•-), lower in energy than 1Chl*. Formation of I •+ results in bond

{pi}{sup 0}-mesons and photons measured in Au+Au collisions at an energy of {radical}(s{sub NN})=62 GeV

Energy Technology Data Exchange (ETDEWEB)

Wetzler, A.A.

2006-07-01

For this thesis photon and {pi}{sup 0} spectra in Gold-Gold-collisions at an energy of {radical}(s{sub NN})=62 GeV were measured using the STAR-experiment at RHIC. The data set is divided into four centrality selection classes. The first result are the transverse momentum and rapidity spectra of inclusive photons for all four centralities and the whole data set. {pi}{sup 0}-spectra versus transverse momentum for the four centralities and the whole data set are also shown. (orig.)

Charge transport kinetics in a robust radical-substituted polymer/nanocarbon composite electrode

Science.gov (United States)

Sato, Kan; Oyaizu, Kenichi; Nishide, Hiroyuki

We have reported a series of organic radical-substituted polymers as new-type charge storage and transport materials which could be used for energy related devices such as batteries and solar cells. Redox-active radical moieties introduced to the non-conjugated polymer backbones enable the rapid electron transfer among the adjacent radical sites, and thus large diffusive flux of electrical charge at a bulk scale. Here we present the elucidated charge transport kinetics in a radical polymer/single-walled carbon nanotube (SWNT) composite electrode. The synergetic effect of electrical conduction by a three-dimensional SWNT network and electron self-exchange reaction by radical polymers contributed to the 105-fold (per 1 g of added SWNT) boosting of electrochemical reactions and exceptionally large current density (greater than 1 A/cm2) as a rechargeable electrode. A totally organic-based secondary battery with a submicron thickness was fabricated to demonstrate the splendid electrochemical performances. Grants-in-Aid for Scientific Research (No. 24225003, 15J00888) and the Leading Graduate Program in Science and Engineering, from the Japanese Ministry of Education, Culture, Sports, Science and Technology (MEXT).

Free radical scavenging potency of quercetin catecholic colonic metabolites: Thermodynamics of 2H+/2e- processes.

Science.gov (United States)

Amić, Ana; Lučić, Bono; Stepanić, Višnja; Marković, Zoran; Marković, Svetlana; Dimitrić Marković, Jasmina M; Amić, Dragan

2017-03-01

Reaction energetics of the double (2H + /2e - ), i.e., the first 1H + /1e - (catechol→ phenoxyl radical) and the second 1H + /1e - (phenoxyl radical→ quinone) free radical scavenging mechanisms of quercetin and its six colonic catecholic metabolites (caffeic acid, hydrocaffeic acid, homoprotocatechuic acid, protocatechuic acid, 4-methylcatechol, and catechol) were computationally studied using density functional theory, with the aim to estimate the antiradical potency of these molecules. We found that second hydrogen atom transfer (HAT) and second sequential proton loss electron transfer (SPLET) mechanisms are less energy demanding than the first ones indicating 2H + /2e - processes as inherent to catechol moiety. The Gibbs free energy change for reactions of inactivation of selected free radicals indicate that catecholic colonic metabolites constitute an efficient group of more potent scavengers than quercetin itself, able to deactivate various free radicals, under different biological conditions. They could be responsible for the health benefits associated with regular intake of flavonoid-rich diet. Copyright © 2016 Elsevier Ltd. All rights reserved.

Multiple free-radical scavenging capacity in serum

Science.gov (United States)

Oowada, Shigeru; Endo, Nobuyuki; Kameya, Hiromi; Shimmei, Masashi; Kotake, Yashige

2012-01-01

We have developed a method to determine serum scavenging-capacity profile against multiple free radical species, namely hydroxyl radical, superoxide radical, alkoxyl radical, alkylperoxyl radical, alkyl radical, and singlet oxygen. This method was applied to a cohort of chronic kidney disease patients. Each free radical species was produced with a common experimental procedure; i.e., uv/visible-light photolysis of free-radical precursor/sensitizer. The decrease in free-radical concentration by the presence of serum was quantified with electron spin resonance spin trapping method, from which the scavenging capacity was calculated. There was a significant capacity change in the disease group (n = 45) as compared with the healthy control group (n = 30). The percent values of disease’s scavenging capacity with respect to control group indicated statistically significant differences in all free-radical species except alkylperoxyl radical, i.e., hydroxyl radical, 73 ± 12% (p = 0.001); superoxide radical, 158 ± 50% (p = 0.001); alkoxyl radical, 121 ± 30% (p = 0.005); alkylperoxyl radical, 123 ± 32% (p>0.1); alkyl radical, 26 ± 14% (p = 0.001); and singlet oxygen, 57 ± 18% (p = 0.001). The scavenging capacity profile was illustrated using a radar chart, clearly demonstrating the characteristic change in the disease group. Although the cause of the scavenging capacity change by the disease state is not completely understood, the profile of multiple radical scavenging capacities may become a useful diagnostic tool. PMID:22962529

A three-dimensional methodology for the assessment of neutron damage and nuclear energy deposition in graphite components of advanced gas-cooled reactors

Energy Technology Data Exchange (ETDEWEB)

Morgan, D.O.; Robinson, A.T.; Allen, D.A.; Picton, D.J.; Thornton, D.A. [TCS, Serco, Rutherford House, Olympus Park, Quedgeley, Gloucester, Gloucestershire GL2 4NF (United Kingdom); Shaw, S.E. [EDF Energy, Barnet Way, Barnwood, Gloucester GL4 3RS (United Kingdom)

2011-07-01

This paper describes the development of a three-dimensional methodology for the assessment of neutron damage and nuclear energy deposition (or nuclear heating) throughout the graphite cores of the UK's Advanced Gas-cooled Reactors. Advances in the development of the Monte Carlo radiation transport code MCBEND have enabled the efficient production of detailed fully three-dimensional models that utilise three-dimensional source distributions obtained from Core Follow data supplied by the reactor physics code PANTHER. The calculational approach can be simplified to reduce both the requisite number of intensive radiation transport calculations, as well as the quantity of data output. These simplifications have been qualified by comparison with explicit calculations and they have been shown not to introduce significant systematic uncertainties. Simple calculational approaches are described that allow users of the data to address the effects on neutron damage and nuclear energy deposition predictions of the feedback resulting from the mutual dependencies of graphite weight loss and nuclear energy deposition. (authors)

Preoperative radiochemotherapy and radical surgery in comparison with radical surgery alone

International Nuclear Information System (INIS)

Mohr, C.; Schettler, D.; Bohndorf, W.

1994-01-01

A multicentric, randomized study of squamous cell carcinoma (SCC) of the oral cavity and the oropharynx has been undertaken by DOeSAK. The results after radical surgery alone have been compared with the results of combined preoperative radiochemotherapy followed by radical surgery. Patients with primary (biopsy proven) SCC of the oral cavity or the oropharynx with tumor nodes metastasis (TNM) stages T2-4, N0-3, M0 were included in the study. A total of 141 patients were treated by radical surgery alone, whereas 127 patients were treated by radical surgery preceded by preoperative radiochemotherapy. The pre-operative treatment consisted of conventionally fractioned irradiation on the primary and the regional lymph nodes with a total dose of 36 Gy (5 x 2 Gy per week) and low-dose cisplatin chemotherapy with 5 x 12.5 mg cisplatin per m 2 of body surface during the first week of treatment. Radical surgery according to be DOeSAK definitions (DOeSAK, 1982) was performed after a delay of 10-14 days. During the follow-up period, 28.2% of all patients suffered from locoregional recurrence, and 27.2% of the patients died. The percentages were higher after radical surgery alone for locoregional recurrence (31% and 15.6%) and for death (28% and 18.6%). The life-table analysis showed improved survival rates of 4.5% after 1 year and 8.3% after 2 years in the group of patients treated with combined therapy. The demonstrated improvement appeared to be significant with the Gehan-Wilcoxon test as well as with the log rank test below a P value of 5%. (au) (29 refs.)

Absorbed dose calculation of the energy deposition close to bone, lung and soft tissue interfaces in molecular radiotherapy

International Nuclear Information System (INIS)

Fernandez, M.; Lassman, M.

2015-01-01

Full text of publication follows. Aim: for voxel-based dosimetry in molecular radiotherapy (MRT) based on tabulated voxel S-values these values are usually obtained only for soft tissue. In order to study the changes in the dose deposition patterns at interfaces between different materials we have performed Monte Carlo simulations. Methods: the deposited energy patterns were obtained using the Monte-Carlo radiation code MCNPX v2.7 for Lu 177 (medium-energy) and Y 90 (high-energy). The following interfaces were studied: soft tissue-bone and soft tissue-lungs. For this purpose a volume of soft tissue homogeneously filled with Lu 177 or Y 90 was simulated at the interface to 3 different volumes containing no activity: soft tissue, lungs and bone. The emission was considered to be isotropic. The dimensions were chosen to ensure that the energy deposited by all generated particles was scored. The materials were defined as recommended by ICPR46; the decay schemes of Eckerman and Endo were used. With these data the absorbed dose patterns normalized to the maximum absorbed dose in the source region (soft tissue) were calculated. Results: the absorbed dose fractions in the boundary with soft tissue, bone and lungs are 50%, 47% and 57%, respectively, for Lu 177 and 50%, 47% and 51% for Y 90 . The distances to the interface at which the absorbed fractions are at 0.1% are 1.0, 0.6 and 3.0 mm for Lu 177 and 7.0, 4.0 and 24 mm for Y 90 , for soft tissue, bone and lungs respectively. Conclusions: in MRT, the changes in the absorbed doses at interfaces between soft tissue and bone/lungs need to be considered for isotopes emitting high energy particles. (authors)

Radicals in arithmetic

NARCIS (Netherlands)

Palenstijn, Willem Jan

2014-01-01

Let K be a field. A radical is an element of the algebraic closure of K of which a power is contained in K. In this thesis we develop a method for determining what we call entanglement. This describes unexpected additive relations between radicals, and is encoded in an entanglement group. We give

PBCDD/F formation from radical/radical cross-condensation of 2-Chlorophenoxy with 2-Bromophenoxy, 2,4-Dichlorophenoxy with 2,4-Dibromophenoxy, and 2,4,6-Trichlorophenoxy with 2,4,6-Tribromophenoxy

Energy Technology Data Exchange (ETDEWEB)

Shi, Xiangli [Environment Research Institute, Shandong University, Jinan 250100 (China); Yu, Wanni [Environment Research Institute, Shandong University, Jinan 250100 (China); College of Resources and Environment, Linyi University, Linyi 276000 (China); Xu, Fei [Environment Research Institute, Shandong University, Jinan 250100 (China); Zhang, Qingzhu, E-mail: zqz@sdu.edu.cn [Environment Research Institute, Shandong University, Jinan 250100 (China); Hu, Jingtian; Wang, Wenxing [Environment Research Institute, Shandong University, Jinan 250100 (China)

2015-09-15

Highlights: • We studied the formation of PBCDD/Fs from the reaction of three CPRs with BPRs. • The substitution pattern of halogenated phenols determines those of PBCDD/Fs. • The substitution of halogenated phenols influence the coupling of phenoxy radicals. • The rate constants of the crucial elementary steps were evaluated. - Abstract: Quantum chemical calculations were carried out to investigate the homogeneous gas-phase formation of mixed polybrominated/chlorinated dibenzo-p-dioxins/benzofurans (PBCDD/Fs) from the cross-condensation of 2-chlorophenoxy radical (2-CPR) with 2-bromophenoxy radical (2-BPR), 2,4-dichlorophenoxy radical (2,4-DCPR) with 2,4-dibromophenoxy radical (2,4-DBPR), and 2,4,6-trichlorophenoxy radical (2,4,6-TCPR) with 2,4,6-tribromophenoxy radical (2,4,6-TBPR). The geometrical parameters and vibrational frequencies were calculated at the MPWB1K/6-31+G(d,p) level, and single-point energy calculations were performed at the MPWB1K/6-311+G(3df,2p) level of theory. The rate constants of the crucial elementary reactions were evaluated by the canonical variational transition-state (CVT) theory with the small curvature tunneling (SCT) correction over a wide temperature range of 600–1200 K. Studies show that the substitution pattern of halogenated phenols not only determines the substitution pattern of the resulting PBCDD/Fs, but also has a significant influence on the formation mechanism of PBCDD/Fs, especially on the coupling of the halogenated phenoxy radicals.

Surface engineering of zirconium particles by molecular layer deposition: Significantly enhanced electrostatic safety at minimum loss of the energy density

Science.gov (United States)

Qin, Lijun; Yan, Ning; Hao, Haixia; An, Ting; Zhao, Fengqi; Feng, Hao

2018-04-01

Because of its high volumetric heat of oxidation, Zr powder is a promising high energy fuel/additive for rocket propellants. However, the application of Zr powder is restricted by its ultra-high electrostatic discharge sensitivity, which poses great hazards for handling, transportation and utilization of this material. By performing molecular layer deposition of polyimide using 1,2,4,5-benzenetetracarboxylic anhydride and ethylenediamine as the precursors, Zr particles can be uniformly encapsulated by thin layers of the polymer. The thicknesses of the encapsulation layers can be precisely controlled by adjusting the number of deposition cycle. High temperature annealing converts the polymer layer into a carbon coating. Results of thermal analyses reveal that the polymer or carbon coatings have little negative effect on the energy release process of the Zr powder. By varying the thickness of the polyimide or carbon coating, electrostatic discharge sensitivity of the Zr powder can be tuned in a wide range and its uncontrolled ignition hazard can be virtually eliminated. This research demonstrates the great potential of molecular layer deposition in effectively modifying the surface properties of highly reactive metal based energetic materials with minimum sacrifices of their energy densities.

When hydroquinone meets methoxy radical: Hydrogen abstraction reaction from the viewpoint of interacting quantum atoms.

Science.gov (United States)

Petković, Milena; Nakarada, Đura; Etinski, Mihajlo

2018-05-25

Interacting Quantum Atoms methodology is used for a detailed analysis of hydrogen abstraction reaction from hydroquinone by methoxy radical. Two pathways are analyzed, which differ in the orientation of the reactants at the corresponding transition states. Although the discrepancy between the two barriers amounts to only 2 kJ/mol, which implies that the two pathways are of comparable probability, the extent of intra-atomic and inter-atomic energy changes differs considerably. We thus demonstrated that Interacting Quantum Atoms procedure can be applied to unravel distinct energy transfer routes in seemingly similar mechanisms. Identification of energy components with the greatest contribution to the variation of the overall energy (intra-atomic and inter-atomic terms that involve hydroquinone's oxygen and the carbon atom covalently bound to it, the transferring hydrogen and methoxy radical's oxygen), is performed using the Relative energy gradient method. Additionally, the Interacting Quantum Fragments approach shed light on the nature of dominant interactions among selected fragments: both Coulomb and exchange-correlation contributions are of comparable importance when considering interactions of the transferring hydrogen atom with all other atoms, whereas the exchange-correlation term dominates interaction between methoxy radical's methyl group and hydroquinone's aromatic ring. This study represents one of the first applications of Interacting Quantum Fragments approach on first order saddle points. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Radicalization as a Vector: Exploring Non-Violent and Benevolent Processes of Radicalization.

Directory of Open Access Journals (Sweden)

Ken Reidy

2018-03-01

Full Text Available Successful radicalization posits three outcomes: extremism, terrorism or both. As these are undesirable, radicalization is understood as wholly malevolent and governments work to prevent and/or stop it. Nonetheless, a handful of scholars have recognized that the same radicalization process which results in either outcome may, theoretically at least, also have beneficial outcomes such as environmental awareness or human rights. This article explores one such outcome. Based on interviews with British Muslim aid workers (n=6 operating in Jihadist conflict zones post Arab spring and using constructivist grounded theory, it illustrates how the research participants radicalized to humanitarianism which resulted in them assisting the most plighted of Muslims by deploying to the most wanton of areas: ones commonly referred to as Jihadist conflict zones. Evidently, these destinations are shared with Jihadists and given the array of other observable similarities (socio-demographics and [pre-]mobilization behaviours, these morally opposed groups become conflated by the security services. This is further compounded by the fact that Jihadists manipulate and/or impersonate aid workers so as to funnel people and funds. To distinguish both, this article documents the benevolent pathway of the research participants and juxtaposes it to scholarly knowledge on Jihadist pathways. Socialization was revealed to be the key distinguishing feature rather than descriptive risk factors (such as ideology or moral outrage because the process of radicalization was not found to be the start of the radicalized pathway. It concludes that benevolently radicalized Islamic groups constitute an effective means of pathway divergence for particular typologies by offering an attractive and prosocial alternative to Jihadism. This strengths-based preventative approach (“what’s right” takes the form of a community-centric market competitor to Jihadism rather than a problem

OH radicals distribution in an Ar-H{sub 2}O atmospheric plasma jet

Energy Technology Data Exchange (ETDEWEB)

Li, L.; Leys, C. [Department of Applied Physics, Research Unit Plasma Technology, Ghent University, Sint-Pietersnieuwstraat 41, Ghent B-9000 (Belgium); Nikiforov, A. [Department of Applied Physics, Research Unit Plasma Technology, Ghent University, Sint-Pietersnieuwstraat 41, Ghent B-9000 (Belgium); Institute of Solution Chemistry of the Russian Academy of Sciences, Academicheskaya St., 1, Ivanono, 153045 (Russian Federation); Xiong, Q. [Department of Applied Physics, Research Unit Plasma Technology, Ghent University, Sint-Pietersnieuwstraat 41, Ghent B-9000 (Belgium); College of Electrical and Electronic Engineering, HuaZhong University of Science and Technology, WuHan, Hubei 430074 (China); Britun, N. [Chimie des Interactions Plasma-Surface (ChIPS), CIRMAP, Universite de Mons, 20 Place du Parc, B-7000 Mons (Belgium); Snyders, R. [Chimie des Interactions Plasma-Surface (ChIPS), CIRMAP, Universite de Mons, 20 Place du Parc, B-7000 Mons (Belgium); Materia Nova Research Centre, Parc Initialis, B-7000 Mons (Belgium); Lu, X. [College of Electrical and Electronic Engineering, HuaZhong University of Science and Technology, WuHan, Hubei 430074 (China)

2013-09-15

Recently, plasma jet systems found numerous applications in the field of biomedicine and treatment of temperature-sensitive materials. OH radicals are one of the main active species produced by these plasmas. Present study deals with the investigation of RF atmospheric pressure plasma jet in terms of OH radicals production by admixture of H{sub 2}O into argon used as a feed gas. Generation of OH radicals is studied by laser-induced fluorescence spectroscopy. The excitation dynamics of OH radicals induced by the laser photons is studied by time-resolved spectroscopy. It is shown that vibrational and rotational energy transfer processes, which are sensitive to the surrounding species, can lead to the complication in the OH radicals diagnostics at high pressure and have to be considered during experiments. The axial and radial 2D maps of absolute densities of hydroxyl radicals at different water contents are obtained. The highest density of 1.15 × 10{sup 20} m{sup −3} is measured in the plasma core for the case of 0.3% H{sub 2}O. In the x–y-plane, the OH density steeply decreases within a range of ±2 mm from its maximum value down to 10{sup 18} m{sup −3}. The effect of H{sub 2}O addition on the generation of OH radicals is investigated and discussed.

Etching radical controlled gas chopped deep reactive ion etching

Science.gov (United States)

Olynick, Deidre; Rangelow, Ivo; Chao, Weilun

2013-10-01

A method for silicon micromachining techniques based on high aspect ratio reactive ion etching with gas chopping has been developed capable of producing essentially scallop-free, smooth, sidewall surfaces. The method uses precisely controlled, alternated (or chopped) gas flow of the etching and deposition gas precursors to produce a controllable sidewall passivation capable of high anisotropy. The dynamic control of sidewall passivation is achieved by carefully controlling fluorine radical presence with moderator gasses, such as CH.sub.4 and controlling the passivation rate and stoichiometry using a CF.sub.2 source. In this manner, sidewall polymer deposition thicknesses are very well controlled, reducing sidewall ripples to very small levels. By combining inductively coupled plasmas with controlled fluorocarbon chemistry, good control of vertical structures with very low sidewall roughness may be produced. Results show silicon features with an aspect ratio of 20:1 for 10 nm features with applicability to nano-applications in the sub-50 nm regime. By comparison, previous traditional gas chopping techniques have produced rippled or scalloped sidewalls in a range of 50 to 100 nm roughness.

Kinetics of elementary atom and radical reactions: Progress report

International Nuclear Information System (INIS)

Gordon, R.J.

1986-01-01

Our research program is concerned with the kinetics of elementary gas phase reactions and energy transfer involving polyatomic molecules. We report here on three ongoing projects: The reaction of oxygen atoms with hydrogen molecules, the electronic relaxation of NH radicals, and the vibrational relaxation of highly excited SF 6 molecules. 10 refs., 5 figs

Laser-Aided Directed Energy Deposition of Steel Powder over Flat Surfaces and Edges.

Science.gov (United States)

Caiazzo, Fabrizia; Alfieri, Vittorio

2018-03-16

In the framework of Additive Manufacturing of metals, Directed Energy Deposition of steel powder over flat surfaces and edges has been investigated in this paper. The aims are the repair and overhaul of actual, worn-out, high price sensitive metal components. A full-factorial experimental plan has been arranged, the results have been discussed in terms of geometry, microhardness and thermal affection as functions of the main governing parameters, laser power, scanning speed and mass flow rate; dilution and catching efficiency have been evaluated as well to compare quality and effectiveness of the process under conditions of both flat and edge depositions. Convincing results are presented to give grounds for shifting the process to actual applications: namely, no cracks or pores have been found in random cross-sections of the samples in the processing window. Interestingly an effect of the scanning conditions has been proven on the resulting hardness in the fusion zone; therefore, the mechanical characteristics are expected to depend on the processing parameters.

Radical cations of quadricyclane and norbornadiene in polar ZSM-5 matrices: Radical cation photochemical transformations without photons

International Nuclear Information System (INIS)

Barnabas, M.V.; Trifunac, A.D.

1994-01-01

Radical cations of quadricyclane (Q) and norbornadiene (NBD) are produced by γ-radiolysis in zeolites. In polar ZSM-5, only one radical cation is initially observed below 100K. Increasing the temperature above 200K gives rise to the cyclopentadiene radical cation. Higher temperatures (>360K) give rise to the cyclopenten-4-yl radical. The observation of cyclopentadiene radical cation implies the occurrence of the reverse Diels-Alder reaction. This is a thermally forbidden, photochemically allowed, process, which is made possible by the interaction of the polar zeolite matrix sites with parent NBD and Q radical cations

Seminal vesicle sparing laparoscopic radical prostatectomy using a low-energy source: Better continence and potency

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Shrenik J Shah

2009-01-01

Full Text Available Objectives: Ongoing with the newer developments in laparoscopic radical prostatectomy (LRP, we report our experience in a consecutive series of 42 patients with a mean 18-month follow-up. We also studied the use of a low-energy source, especially in the region of the prostatic apex and the neurovascular bundle and evaluated its outcome on continence and potency. Materials and Methods: Between November 2003 and December 2008, 50 patients aged 50-80 yrs underwent LRP with vesicourethral anastomosis and of these, 42 patients who had a minimum follow-up of 3 months were selected for the study. Of these, the initial 16 patients were operated by the routine method and the 26 patients operated in the later part of our experience were operated upon using a minimal energy source. Results: The mean follow-up was 18 months (range 3-60. Continence was evaluated at 1, 3, 6, and 12 months. Eleven of the 16 patients in Group I were continent as compared with 21 of 26 patients in Group II. The difference in continence rates was mainly due to less use of electrocautery and harmonic scalpel at the bladder neck. Of the eight patients who were potent pre-operatively in Group I, four remained potent 3 months after LRP. In Group II, 20 of the 26 patients were potent pre-operatively and 16 remained potent 3 months after LRP. Conclusions: Use of a low-energy source at the bladder neck and neurovascular bundle, sparing of seminal vesicle, and leaving behind a long, healthy stump of the urethra during apical dissection, is associated with better continence and potency without compromising oncological outcome.

Energy deposition by a {sup 106}Ru/{sup 106}Rh eye applicator simulated using LEPTS, a low-energy particle track simulation

Energy Technology Data Exchange (ETDEWEB)

Fuss, M.C. [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas (CSIC), Serrano 113-bis, 28006 Madrid (Spain); Munoz, A.; Oller, J.C. [Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas (CIEMAT), Avenida Complutense 22, 28040 Madrid (Spain); Blanco, F. [Departamento de Fisica Atomica, Molecular y Nuclear, Universidad Complutense de Madrid, Avenida Complutense, 28040 Madrid (Spain); Williart, A. [Departamento de Fisica de los Materiales, Universidad Nacional de Educacion a Distancia, Senda del Rey 9, 28040 Madrid (Spain); Limao-Vieira, P. [Laboratorio de Colisoes Atomicas e Moleculares, Departamento de Fisica, CEFITEC, FCT-Universidade Nova de Lisboa, Quinta da Torre, 2829-516 Caparica (Portugal); Borge, M.J.G.; Tengblad, O. [Instituto de Estructura de la Materia, Consejo Superior de Investigaciones Cientificas (CSIC), Serrano 113-bis, 28006 Madrid (Spain); Huerga, C.; Tellez, M. [Hospital Universitario La Paz, Paseo de la Castellana 261, 28046 Madrid (Spain); Garcia, G., E-mail: g.garcia@iff.csic.es [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas (CSIC), Serrano 113-bis, 28006 Madrid (Spain); Departamento de Fisica de los Materiales, Universidad Nacional de Educacion a Distancia, Senda del Rey 9, 28040 Madrid (Spain)

2011-09-15

The present study introduces LEPTS, an event-by-event Monte Carlo programme, for simulating an ophthalmic {sup 106}Ru/{sup 106}Rh applicator relevant in brachytherapy of ocular tumours. The distinctive characteristics of this code are the underlying radiation-matter interaction models that distinguish elastic and several kinds of inelastic collisions, as well as the use of mostly experimental input data. Special emphasis is placed on the treatment of low-energy electrons for generally being responsible for the deposition of a large portion of the total energy imparted to matter. - Highlights: > We present the Monte Carlo code LEPTS, a low-energy particle track simulation. > Carefully selected input data from 10 keV to 1 eV. > Application to an electron emitting Ru-106/Rh-106 plaque used in brachytherapy.

The role of low-energy electrons in focused electron beam induced deposition: four case studies of representative precursors

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Rachel M. Thorman

2015-09-01

Full Text Available Focused electron beam induced deposition (FEBID is a single-step, direct-write nanofabrication technique capable of writing three-dimensional metal-containing nanoscale structures on surfaces using electron-induced reactions of organometallic precursors. Currently FEBID is, however, limited in resolution due to deposition outside the area of the primary electron beam and in metal purity due to incomplete precursor decomposition. Both limitations are likely in part caused by reactions of precursor molecules with low-energy (3, Pt(PF34, Co(CO3NO, and W(CO6. Through these case studies, it is evident that this combination of studies can provide valuable insight into potential mechanisms governing deposit formation in FEBID. Although further experiments and new approaches are needed, these studies are an important stepping-stone toward better understanding the fundamental physics behind the deposition process and establishing design criteria for optimized FEBID precursors.

Triple oxygen isotopes indicate urbanization affects sources of nitrate in wet and dry atmospheric deposition

Science.gov (United States)

Nelson, David M.; Tsunogai, Urumu; Ding, Dong; Ohyama, Takuya; Komatsu, Daisuke D.; Nakagawa, Fumiko; Noguchi, Izumi; Yamaguchi, Takashi

2018-05-01

Atmospheric nitrate deposition resulting from anthropogenic activities negatively affects human and environmental health. Identifying deposited nitrate that is produced locally vs. that originating from long-distance transport would help inform efforts to mitigate such impacts. However, distinguishing the relative transport distances of atmospheric nitrate in urban areas remains a major challenge since it may be produced locally and/or be transported from upwind regions. To address this uncertainty we assessed spatiotemporal variation in monthly weighted-average Δ17O and δ15N values of wet and dry nitrate deposition during one year at urban and rural sites along the western coast of the northern Japanese island of Hokkaido, downwind of the East Asian continent. Δ17O values of nitrate in wet deposition at the urban site mirrored those of wet and dry deposition at the rural site, ranging between ˜ +23 and +31 ‰ with higher values during winter and lower values in summer, which suggests the greater relative importance of oxidation of NO2 by O3 during winter and OH during summer. In contrast, Δ17O values of nitrate in dry deposition at the urban site were lower (+19 - +25 ‰) and displayed less distinct seasonal variation. Furthermore, the difference between δ15N values of nitrate in wet and dry nitrate deposition was, on average, 3 ‰ greater at the urban than rural site, and Δ17O and δ15N values were correlated for both forms of deposition at both sites with the exception of dry deposition at the urban site. These results suggest that, relative to nitrate in wet and dry deposition in rural environments and wet deposition in urban environments, nitrate in dry deposition in urban environments forms from relatively greater oxidation of NO by peroxy radicals and/or oxidation of NO2 by OH. Given greater concentrations of peroxy radicals and OH in cities, these results imply that dry nitrate deposition results from local NOx emissions more so than wet

Primary photodissociation pathways of epichlorohydrin and analysis of the C-C bond fission channels from an O(3P)+allyl radical intermediate

International Nuclear Information System (INIS)

FitzPatrick, Benjamin L.; Alligood, Bridget W.; Butler, Laurie J.; Lee, Shih-Huang; Lin, Jim Jr-Min

2010-01-01

This study initially characterizes the primary photodissociation processes of epichlorohydrin, c-(H 2 COCH)CH 2 Cl. The three dominant photoproduct channels analyzed are c-(H 2 COCH)CH 2 +Cl, c-(H 2 COCH)+CH 2 Cl, and C 3 H 4 O+HCl. In the second channel, the c-(H 2 COCH) photofission product is a higher energy intermediate on C 2 H 3 O global potential energy surface and has a small isomerization barrier to vinoxy. The resulting highly vibrationally excited vinoxy radicals likely dissociate to give the observed signal at the mass corresponding to ketene, H 2 CCO. The final primary photodissociation pathway HCl+C 3 H 4 O evidences a recoil kinetic energy distribution similar to that of four-center HCl elimination in chlorinated alkenes, so is assigned to production of c-(H 2 COC)=CH 2 ; the epoxide product is formed with enough vibrational energy to isomerize to acrolein and dissociate. The paper then analyzes the dynamics of the C 3 H 5 O radical produced from C-Cl bond photofission. When the epoxide radical photoproduct undergoes facile ring opening, it is the radical intermediate formed in the O( 3 P)+allyl bimolecular reaction when the O atom adds to an end C atom. We focus on the HCO+C 2 H 4 and H 2 CO+C 2 H 3 product channels from this radical intermediate in this report. Analysis of the velocity distribution of the momentum-matched signals from the HCO+C 2 H 4 products at m/e=29 and 28 shows that the dissociation of the radical intermediate imparts a high relative kinetic energy, peaking near 20 kcal/mol, between the products. Similarly, the energy imparted to relative kinetic energy in the H 2 CO+C 2 H 3 product channel of the O( 3 P)+allyl radical intermediate also peaks at high-recoil kinetic energies, near 18 kcal/mol. The strongly forward-backward peaked angular distributions and the high kinetic energy release result from tangential recoil during the dissociation of highly rotationally excited nascent radicals formed photolytically in this experiment

Primary photodissociation pathways of epichlorohydrin and analysis of the C-C bond fission channels from an O(3P)+allyl radical intermediate

Science.gov (United States)

FitzPatrick, Benjamin L.; Alligood, Bridget W.; Butler, Laurie J.; Lee, Shih-Huang; Lin, Jim-Min, Jr.

2010-09-01

This study initially characterizes the primary photodissociation processes of epichlorohydrin, c-(H2COCH)CH2Cl. The three dominant photoproduct channels analyzed are c-(H2COCH)CH2+Cl, c-(H2COCH)+CH2Cl, and C3H4O+HCl. In the second channel, the c-(H2COCH) photofission product is a higher energy intermediate on C2H3O global potential energy surface and has a small isomerization barrier to vinoxy. The resulting highly vibrationally excited vinoxy radicals likely dissociate to give the observed signal at the mass corresponding to ketene, H2CCO. The final primary photodissociation pathway HCl+C3H4O evidences a recoil kinetic energy distribution similar to that of four-center HCl elimination in chlorinated alkenes, so is assigned to production of c-(H2COC)=CH2; the epoxide product is formed with enough vibrational energy to isomerize to acrolein and dissociate. The paper then analyzes the dynamics of the C3H5O radical produced from C-Cl bond photofission. When the epoxide radical photoproduct undergoes facile ring opening, it is the radical intermediate formed in the O(P3)+allyl bimolecular reaction when the O atom adds to an end C atom. We focus on the HCO+C2H4 and H2CO+C2H3 product channels from this radical intermediate in this report. Analysis of the velocity distribution of the momentum-matched signals from the HCO+C2H4 products at m/e=29 and 28 shows that the dissociation of the radical intermediate imparts a high relative kinetic energy, peaking near 20 kcal/mol, between the products. Similarly, the energy imparted to relative kinetic energy in the H2CO+C2H3 product channel of the O(P3)+allyl radical intermediate also peaks at high-recoil kinetic energies, near 18 kcal/mol. The strongly forward-backward peaked angular distributions and the high kinetic energy release result from tangential recoil during the dissociation of highly rotationally excited nascent radicals formed photolytically in this experiment. The data also reveal substantial branching to an HCCH+H3

High-field/ high-frequency EPR study on stable free radicals formed in sucrose by gamma-irradiation.

Science.gov (United States)

Georgieva, Elka R; Pardi, Luca; Jeschke, Gunnar; Gatteschi, Dante; Sorace, Lorenzo; Yordanov, Nicola D

2006-06-01

The EPR spectrum of sucrose irradiated by high-energy radiation is complex due to the presence of more than one radical species. In order to decompose the spectrum and elucidate the radical magnetic parameters a high-field (HF(-)EPR) study on stable free radicals in gamma-irradiated polycrystalline sucrose (table sugar) was performed at three different high frequencies--94, 190 and 285 GHz as well as at the conventional X-band. We suggest a presence of three stable radicals R1, R2 and R3 as the main radical species. Due to the increase of g-factor resolution at high fields the g-tensors of these radicals could be extracted by accurate simulations. The moderate g-anisotropy suggests that all three radicals are carbon-centred. Results from an earlier ENDOR study on X-irradiated sucrose single crystals (Vanhaelewyn et al., Appl Radiat Isot, 52, 1221 (2000)) were used for analyzing of the spectra in more details. It was confirmed that the strongest hyperfine interaction has a relatively small anisotropy, which indicates either the absence of alpha-protons or a strongly distorted geometry of the radicals.

FCC-hh final-focus for flat-beams: parameters and energy deposition studies

CERN Document Server

AUTHOR|(CDS)2081283; Cruz Alaniz, Emilia; Seryi, Andrei; Van Riesen-Haupt, Leon; Besana, Maria Ilaria

2017-01-01

The international Future Circular Collider (FCC) study comprises the study of a new scientific structure in a tunnel of 100 km. This will allow the installation of two accelerators, a 45.6–175 GeV lepton collider and a 100-TeV hadron collider. An optimized design of a final-focus system for the hadron collider is presented here. The new design is more compact and enables unequal ${\\beta}$$^{∗}$ in both planes, whose choice is justified here. This is followed by energy deposition studies, where the total dose in the magnets as a consequence of the collision debris is evaluated.

Youth De-Radicalization: A Canadian Framework

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Hafal (Haval Ahmad

2017-09-01

Full Text Available Youth radicalization leading to violence has become a growing fear among Canadians, as terrorist attacks are carried out in Western states. Although Canada has suffered relatively fewer acts of violence, this fear has intensified and a de-radicalization strategy is needed in the Canadian context. In a qualitative case study methodology, interviews were conducted with school counsellors, religious leaders, and academics to explore solutions to youth radicalization. Youth de-radicalization approaches from the United Kingdom were analyzed and found that community-based initiatives were missing from programming. Social identity theory is used to explain that youth join radicalized groups to feel a sense of belonging and have to be provided an alternative and moderate group identity to de-radicalize. This study found youth de-radicalization in Canada is best served through a community collaboration approach.

Radical distributions in ammonium tartrate single crystals exposed to photon and neutron beams