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Sample records for plasma dynamic reaction

  1. Reaction Dynamics and Spectroscopy of Hydrocarbons in Plasma

    Energy Technology Data Exchange (ETDEWEB)

    Braams, Bastiaan J.

    2014-03-24

    This grant supported research in theoretical and computational Chemical Physics that resulted in numerous publications on fitting ab initio potential energy surfaces and dipole moment surfaces of polyatomic molecules and cations. This work made use of novel fitting methods that ensures that these surfaces are invariant with respect to all permutations of like atoms. The surfaces were used in various dynamics calculations, ranging from quantum vibrational dynamics to(quasi)classical trajectory calculations of reaction dynamics. A number of these studies were done in collaboration with experimental groups where the theoretical analyses turned out to be essential to give a proper understanding of the experimental results.

  2. Element fingerprinting of marine organisms by dynamic reaction cell inductively coupled plasma mass spectrometry.

    Science.gov (United States)

    Cubadda, Francesco; Raggi, Andrea; Coni, Ettore

    2006-02-01

    A method for the determination of sixteen elements (Al, As, Cd, Co, Cr, Cu, Fe, Hg, Mn, Mo, Ni, Pb, Se, Sn, V, Zn) in seafood by dynamic reaction cell inductively coupled plasma mass spectrometry (ICP-DRC-MS) is presented. A preliminary study of polyatomic interferences was carried out in relation to the chemical composition of marine organisms belonging to different taxa. Acid effects and other matrix effects in marine organisms submitted to closed-vessel microwave digestion were investigated as well. Ammonia was the reactive gas used in the DRC to remove polyatomic ions interfering with 27Al, 52Cr, 56Fe and 51V. Optimal conditions for the simultaneous determination of analytes were identified in order to develop a fast multielement method. A suite of real samples (mussels and various fish species) were used during method development along with three certified reference materials: BCR CRM 278R (mussel tissue), BCR CRM 422 (cod muscle) and DORM-2 (dogfish muscle). The proposed analytical approach can be used in conjunction with suitable chemometric procedures to address quality and safety issues in aquaculture and fisheries. As an example, a case study is described in which mussels from three farming sites in the Venice Lagoon were distinguished by multivariate analysis of element fingerprints.

  3. Charge transfer reactions at interfaces between neutral gas and plasma: Dynamical effects and X-ray emission

    Science.gov (United States)

    Provornikova, E.; Izmodenov, V. V.; Lallement, R.

    2012-04-01

    Charge-transfer is the main process linking neutrals and charged particles in the interaction regions of neutral (or partly ionized) gas with a plasma. In this paper we illustrate the importance of charge-transfer with respect to the dynamics and the structure of neutral gas-plasma interfaces. We consider the following phenomena: (1) the heliospheric interface - region where the solar wind plasma interacts with the partly-ionized local interstellar medium (LISM) and (2) neutral interstellar clouds embedded in a hot, tenuous plasma such as the million degree gas that fills the so-called ``Local Bubble". In (1), we discuss several effects in the outer heliosphere caused by charge exchange of interstellar neutral atoms and plasma protons. In (2) we describe the role of charge exchange in the formation of a transition region between the cloud and the surrounding plasma based on a two-component model of the cloud-plasma interaction. In the model the cloud consists of relatively cold and dense atomic hydrogen gas, surrounded by hot, low density, fully ionized plasma. We discuss the structure of the cloud-plasma interface and the effect of charge exchange on the lifetime of interstellar clouds. Charge transfer between neutral atoms and minor ions in the plasma produces X-ray emission. Assuming standard abundances of minor ions in the hot gas surrounding the cold interstellar cloud, we estimate the X-ray emissivity consecutive to the charge transfer reactions. Our model shows that the charge-transfer X-ray emission from the neutral cloud-plasma interface may be comparable to the diffuse thermal X-ray emission from the million degree gas cavity itself.

  4. Radiation reaction in fusion plasmas.

    Science.gov (United States)

    Hazeltine, R D; Mahajan, S M

    2004-10-01

    The effects of a radiation reaction on thermal electrons in a magnetically confined plasma, with parameters typical of planned burning plasma experiments, are studied. A fully relativistic kinetic equation that includes the radiation reaction is derived. The associated rate of phase-space contraction is computed and the relative importance of the radiation reaction in phase space is estimated. A consideration of the moments of the radiation reaction force show that its effects are typically small in reactor-grade confined plasmas, but not necessarily insignificant.

  5. Introduction to plasma dynamics

    CERN Document Server

    Morozov, A I

    2013-01-01

    As the twenty-first century progresses, plasma technology will play an increasing role in our lives, providing new sources of energy, ion-plasma processing of materials, wave electromagnetic radiation sources, space plasma thrusters, and more. Studies of the plasma state of matter not only accelerate technological developments but also improve the understanding of natural phenomena. Beginning with an introduction to the characteristics and types of plasmas, Introduction to Plasma Dynamics covers the basic models of classical diffuse plasmas used to describe such phenomena as linear and shock w

  6. Laser ablation inductively coupled plasma dynamic reaction cell mass spectrometry for the multi-element analysis of polymers

    Science.gov (United States)

    Resano, M.; García-Ruiz, E.; Vanhaecke, F.

    2005-11-01

    In this work, the potential of laser ablation-inductively coupled plasma-mass spectrometry for the fast analysis of polymers has been explored. Different real-life samples (polyethylene shopping bags, an acrylonitrile butadiene styrene material and various plastic bricks) as well as several reference materials (VDA 001 to 004, Cd in polyethylene) have been selected for the study. Two polyethylene reference materials (ERM-EC 680 and 681), for which a reference or indicative value for the most relevant metals is available, have proved their suitability as standards for calibration. Special attention has been paid to the difficulties expected for the determination of Cr at the μg g - 1 level in this kind of materials, due to the interference of ArC + ions on the most abundant isotopes of Cr. The use of ammonia as a reaction gas in a dynamic reaction cell is shown to alleviate this problem, resulting in a limit of detection of 0.15 μg g - 1 for this element, while limiting only modestly the possibilities of the technique for simultaneous multi-element analysis. In this regard, As is the analyte most seriously affected by the use of ammonia, and its determination has to be carried out in vented mode, at the expense of measuring time. In all cases studied, accurate results could be obtained for elements ranging in content from the sub-μg g - 1 level to tens of thousands of μg g - 1 . However, the use of an element of known concentration as internal standard may be needed for materials with a matrix significantly different from that of the standard (polyethylene in this work). Precision ranged between 5% and 10% RSD for elements found at the 10 μg g - 1 level or higher, while this value could deteriorate to 20% for analytes found at the sub-μg g - 1 level. Overall, the technique evaluated presents many advantages for the fast and accurate multi-element analysis of these materials, avoiding laborious digestion procedures and minimizing the risk of analyte losses due

  7. Photochemical reaction dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Moore, B.C. [Lawrence Berkeley Laboratory, Livermore, CA (United States)

    1993-12-01

    The purpose of the program is to develop a fundamental understanding of unimolecular and bimolecular reaction dynamics with application in combustion and energy systems. The energy dependence in ketene isomerization, ketene dissociation dynamics, and carbonyl substitution on organometallic rhodium complexes in liquid xenon have been studied. Future studies concerning unimolecular processes in ketene as well as energy transfer and kinetic studies of methylene radicals are discussed.

  8. Determination of depleted uranium in fish: validation of a confirmatory method by dynamic reaction cell inductively coupled plasma mass spectrometry (DRC-ICP-MS).

    Science.gov (United States)

    D'Ilio, S; Violante, N; Senofonte, O; Petrucci, F

    2007-08-06

    Depleted uranium (DU) is a by-product of the uranium enrichment process for nuclear fuel. According to the Commission Decision 2002/657/EC, a confirmatory method for the quantification of DU in freeze-dried fish was developed by isotope ratio dynamic reaction cell inductively coupled plasma-mass spectrometry (IR-DRC-ICP-MS). A preliminary study was performed to determine the following parameters: instrumental detection limit (IDL), isotopic ratio measurement limit (IRML), percentage of DU (P(DU)) in presence of natural uranium (NU) and limit of quantification (LoQ(DU)). The analyses were carried out by means of IR-DRC-ICP-MS. Ammonia was the reaction gas used for the dynamic reaction cell. In addition, a sector field inductively coupled plasma mass spectrometer (SF-ICP-MS) was employed to calculate the within-laboratory reproducibility. For the confirmatory method the following parameters were determined: (a) trueness; (b) precision; (c) critical concentrations alpha and beta (CC(alpha), CC(beta)); (d) specificity; (e) stability. Trueness was assessed by using the recovery tests. The recovery and within-laboratory reproducibility were determined by fortifying the blank digested solution of dogfish tissue: six aliquots were fortified at 1, 1.5 and 2 times the LOQ(DU) with 25.0, 37.5 and 50.0 ng L(-1) or 4.16, 6.24, 8.32 microg kg(-1) with a recovery of -8.2, +9.5 and +9.6%, respectively and a within-laboratory reproducibility (three analytical run) of 15.5, 8.0 and 11.0%, respectively. The results for the decision limit and the detection capability were: CC(alpha) = 11.69 ng L(-1) and CC(beta) = 19.8 ng L(-1). The digested solutions resulted to be stable during testing time (60 days) and the method can be considered highly specific as well.

  9. Development of a dynamic multiple reaction monitoring method for determination of digoxin and six active components of Ginkgo biloba leaf extract in rat plasma.

    Science.gov (United States)

    Rao, Zhi; Qin, Hongyan; Wei, Yuhui; Zhou, Yan; Zhang, Guoqiang; Zhang, Fan; Shao, Yunyun; Huang, Jing; Wu, Xin'an

    2014-05-15

    A new liquid chromatography-tandem mass spectrometry (LC-MS/MS) method by using dynamic multiple reaction monitoring (DMRM) has been developed and validated for the simultaneous determination of digoxin (DGX) and six main components of Ginkgo biloba leaf extract (GBE) in rat plasma. Comparing with the conventional multiple reaction monitoring (MRM), DMRM dramatically decreases the number of concurrent MRM transitions, and significantly extended the dwell time, which provided much higher sensitivity and reproducibility than MRM when complex multi-component samples were quantified. The plasma samples were protein precipitated with methanol, the detection was accomplished with electro-spray ionization (ESI) as the ion source operating in the negative ionization mode, with methanol and water as mobile phase, and with an Agilent Zorbax eclipse plus C18 column (4.6 × 100 mm, 3.5 μm) as the analytical column. The total run time was 12.0 min. The validation of the method was implemented including specificity, linearity, accuracy, precision, recovery, matrix effect and stability. This method was successfully applied to the herb-drug pharmacokinetic interaction study of DGX combined with GBE after oral administration to rats. The result indicated that co-administration of GBE and DGX significantly influenced the pharmacokinetics of DGX when compared to that of single DGX-treated rats.

  10. Thermonuclear reactions with magnetical confined plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Pinkau, K.; Schumacher, U.

    1982-09-01

    As the result of intensive research activities in the plasma physics one can expect that in future an independent burning plasma can be produced. The focal point of fusion research then will crescent shift on the answer of the question whether the technological development the design of a commercial working energy systems allows. The authors report on thermonuclear devices, plasma confinement, plasma heating, thermonuclear reactions and safety.

  11. Electromagnetic effects on explosive reaction and plasma

    Energy Technology Data Exchange (ETDEWEB)

    Tasker, Douglas G [Los Alamos National Laboratory; Whitley, Von H [Los Alamos National Laboratory; Mace, Jonathan L [Los Alamos National Laboratory; Pemberton, Steven J [Los Alamos National Laboratory; Sandoval, Thomas D [Los Alamos National Laboratory; Lee, Richard J [INDIAN HEAD DIVISION

    2010-01-01

    A number of studies have reported that electric fields can have quantifiable effects on the initiation and growth of detonation, yet the mechanisms of these effects are not clear. Candidates include Joule heating of the reaction zone, perturbations to the activation energy for chemical reaction, reduction of the Peierls energy barrier that facilitates dislocation motion, and acceleration of plasma projected from the reaction zone. In this study the possible role of plasma in the initiation and growth of explosive reaction is investigated. The effects of magnetic and electric field effects on reaction growth will be reviewed and recent experiments reported.

  12. Kinematically complete chemical reaction dynamics

    Science.gov (United States)

    Trippel, S.; Stei, M.; Otto, R.; Hlavenka, P.; Mikosch, J.; Eichhorn, C.; Lourderaj, U.; Zhang, J. X.; Hase, W. L.; Weidemüller, M.; Wester, R.

    2009-11-01

    Kinematically complete studies of molecular reactions offer an unprecedented level of insight into the dynamics and the different mechanisms by which chemical reactions occur. We have developed a scheme to study ion-molecule reactions by velocity map imaging at very low collision energies. Results for the elementary nucleophilic substitution (SN2) reaction Cl- + CH3I → ClCH3 + I- are presented and compared to high-level direct dynamics trajectory calculations. Furthermore, an improved design of the crossed-beam imaging spectrometer with full three-dimensional measurement capabilities is discussed and characterization measurements using photoionization of NH3 and photodissociation of CH3I are presented.

  13. Exploiting dynamic reaction cell inductively coupled plasma mass spectrometry (DRC-ICP-MS) for sequential determination of trace elements in blood using a dilute-and-shoot procedure.

    Science.gov (United States)

    Batista, Bruno Lemos; Rodrigues, Jairo Lisboa; Nunes, Juliana Andrade; Souza, Vanessa Cristina de Oliveira; Barbosa, Fernando

    2009-04-20

    Inductively coupled plasma mass spectrometry with quadrupole (q-ICP-MS) and dynamic reaction cell (DRC-ICP-MS) were evaluated for sequential determination of As, Cd, Co, Cr, Cu, Mn, Pb, Se, Tl, V and Zn in blood. The method requires as little as 100 microL of blood. Prior to analysis, samples (100 microL) were diluted 1:50 in a solution containing 0.01% (v/v) Triton X-100 and 0.5% (v/v) nitric acid. The use of the DRC was only mandatory for Cr, Cu, V and Zn. For the other elements the equipment may be operated in a standard mode (q-ICP-MS). Ammonia was used as reaction gas. Selection of best flow rate of ammonium gas and optimization of the quadrupole dynamic band-pass tuning parameter (RPq) were carried out, using a ovine base blood for Cr and V and a synthetic matrix solution (SMS) for Zn and Cu diluted 1:50 and spiked to contain 1 microg L(-1) of each element. Method detection limits (3 s) for (75)As, (114)Cd, (59)Co, (51)Cr, (63)Cu (55)Mn, (208)Pb, (82)Se, (205)Tl, (51)V, and (64)Zn were 14.0, 3.0, 11.0, 7.0, 280, 9.0, 3.0, 264, 0.7, 6.0 and 800 ng L(-1), respectively. Method validation was accomplished by the analysis of blood Reference Materials produced by the L'Institut National de Santé Publique du Quebec (Canada).

  14. Tight-binding quantum chemical molecular dynamics simulations for the elucidation of chemical reaction dynamics in SiC etching with SF6/O2 plasma.

    Science.gov (United States)

    Ito, Hiroshi; Kuwahara, Takuya; Kawaguchi, Kentaro; Higuchi, Yuji; Ozawa, Nobuki; Kubo, Momoji

    2016-03-21

    We used our etching simulator [H. Ito et al., J. Phys. Chem. C, 2014, 118, 21580-21588] based on tight-binding quantum chemical molecular dynamics (TB-QCMD) to elucidate SiC etching mechanisms. First, the SiC surface is irradiated with SF5 radicals, which are the dominant etchant species in experiments, with the irradiation energy of 300 eV. After SF5 radicals bombard the SiC surface, Si-C bonds dissociate, generating Si-F, C-F, Si-S, and C-S bonds. Then, etching products, such as SiS, CS, SiFx, and CFx (x = 1-4) molecules, are generated and evaporated. In particular, SiFx is the main generated species, and Si atoms are more likely to vaporize than C atoms. The remaining C atoms on SiC generate C-C bonds that may decrease the etching rate. Interestingly, far fewer Si-Si bonds than C-C bonds are generated. We also simulated SiC etching with SF3 radicals. Although the chemical reaction dynamics are similar to etching with SF5 radicals, the etching rate is lower. Next, to clarify the effect of O atom addition on the etching mechanism, we also simulated SiC etching with SF5 and O radicals/atoms. After bombardment with SF5 radicals, Si-C bonds dissociate in a similar way to the etching without O atoms. In addition, O atoms generate many C-O bonds and COy (y = 1-2) molecules, inhibiting the generation of C-C bonds. This indicates that O atom addition improves the removal of C atoms from SiC. However, for a high O concentration, many C-C and Si-Si bonds are generated. When the O atoms dissociate the Si-C bonds and generate dangling bonds, the O atoms terminate only one or two dangling bonds. Moreover, at high O concentrations there are fewer S and F atoms to terminate the dangling bonds than at low O concentration. Therefore, few dangling bonds of dissociated Si and C atoms are terminated, and they form many Si-Si and C-C bonds. Furthermore, we propose that the optimal O concentration is 50-60% because both Si and C atoms generate many etching products producing fewer C

  15. The application of inductively coupled plasma dynamic reaction cell mass spectrometry for measurement of selenium isotopes, isotope ratios and chromatographic detection of selenoamino acids

    DEFF Research Database (Denmark)

    Sloth, Jens Jørgen; Larsen, Erik Huusfeldt

    2000-01-01

    Inductively coupled plasma dynamic reaction cell mass spectrometry (ICP-DRC-MS) was characterised for the detection of the six naturally occurring selenium isotopes. The potentially interfering argon dimers at the selenium masses m/z 74, 76, 78 and 80 were reduced in intensity by approximately five...... orders of magnitude by using methane as reactive cell gas in the DRC. By using 3% v/v methanol in water for carbon-enhanced ionisation of selenium, the sensitivity of Se-80 was 10(4) counts s(-1) per ng ml(-1) of selenium, and the estimated limit of detection was 6 pg ml(-1). The precision of the isotope...... ratios. Deuterated methane used as the DRC gas showed that hydrogen transfer from methane was not involved in the formation of SeH as SeD was absent in the mass spectrum. The almost interference-free detection of selenium by ICP-DRC-MS made the detection of the Se-80 isotope possible for detection...

  16. Towards silicon speciation in light petroleum products using gas chromatography coupled to inductively coupled plasma mass spectrometry equipped with a dynamic reaction cell

    Energy Technology Data Exchange (ETDEWEB)

    Chainet, Fabien, E-mail: fabien.chainet@ifpen.fr [IFP Energies nouvelles, Rond-point de l' échangeur de Solaize, BP 3, 69360 Solaize (France); Lienemann, Charles-Philippe; Ponthus, Jeremie [IFP Energies nouvelles, Rond-point de l' échangeur de Solaize, BP 3, 69360 Solaize (France); Pécheyran, Christophe; Castro, Joaudimir; Tessier, Emmanuel; Donard, Olivier François Xavier [LCABIE-IPREM, UMR 5254, CNRS-UPPA, Helioparc, 2 av. Pr. Angot, 64053 Pau (France)

    2014-07-01

    Silicon speciation has recently gained interest in the oil and gas industry due to the significant poisoning problems caused by silicon on hydrotreatment catalysts. The poisoning effect clearly depends on the structure of the silicon species which must be determined and quantified. The hyphenation of gas chromatography (GC) coupled to inductively coupled plasma mass spectrometry (ICP-MS) allows a specific detection to determine the retention times of all silicon species. The aim of this work is to determine the retention indices of unknown silicon species to allow their characterization by a multi-technical approach in order to access to their chemical structure. The optimization of the dynamic reaction cell (DRC) of the ICP-MS using hydrogen as reactant gas successfully demonstrated the resolution of the interferences ({sup 14}N{sup 14}N{sup +} and {sup 12}C{sup 16}O{sup +}) initially present on {sup 28}Si. The linearity was excellent for silicon compounds and instrumental detection limits ranged from 20 to 140 μg of Si/kg depending on the response of the silicon compounds. A continuous release of silicon in the torch was observed most likely due to the use of a torch and an injector which was made of quartz. A non-universal response for silicon was observed and it was clearly necessary to use response coefficients to quantify silicon compounds. Known silicon compounds such as cyclic siloxanes (D{sub 3}–D{sub 16}) coming from PDMS degradation were confirmed. Furthermore, more than 10 new silicon species never characterized before in petroleum products were highlighted in polydimethylsiloxane (PDMS) degradation samples produced under thermal cracking of hydrocarbons. These silicon species mainly consisted of linear and cyclic structures containing reactive functions such as ethoxy, peroxide and hydroxy groups which can be able to react with the alumina surface and hence, poison the catalyst. This characterization will further allow the development of innovative

  17. A novel methodology for rapid digestion of rare earth element ores and determination by microwave plasma-atomic emission spectrometry and dynamic reaction cell-inductively coupled plasma-mass spectrometry.

    Science.gov (United States)

    Helmeczi, Erick; Wang, Yong; Brindle, Ian D

    2016-11-01

    Short-wavelength infrared radiation has been successfully applied to accelerate the acid digestion of refractory rare-earth ore samples. Determinations were achieved with microwave plasma-atomic emission spectrometry (MP-AES) and dynamic reaction cell - inductively coupled plasma-mass spectrometry (DRC-ICP-MS). The digestion method developed was able to tackle high iron-oxide and silicate matrices using only phosphoric acid in a time frame of only 8min, and did not require perchloric or hydrofluoric acid. Additionally, excellent recoveries and reproducibilities of the rare earth elements, as well as uranium and thorium, were achieved. Digestions of the certified reference materials OREAS-465 and REE-1, with radically different mineralogies, delivered results that mirror those obtained by fusion processes. For the rare-earth CRM OKA-2, whose REE data are provisional, experimental data for the rare-earth elements were generally higher than the provisional values, often exceeding z-values of +2. Determined values for Th and U in this reference material, for which certified values are available, were in excellent agreement. Copyright © 2016 Elsevier B.V. All rights reserved.

  18. Multi-element analysis of urine using dynamic reaction cell inductively coupled plasma mass spectrometry (ICP-DRC-MS — A practical application

    Directory of Open Access Journals (Sweden)

    Renata Brodzka

    2013-04-01

    Full Text Available Objectives: The method for the determination of As, Al, Cd, Ni, Pb (toxic elements and Cr, Co, Cu, Fe, Mn, Zn (essential elements in human urine by the use of Inductively Coupled Plasma Mass Spectrometry (quadrupole ICP-MS DRCe Elan, Perkin Elmer with the dynamic reaction cell (DRC was developed. Materials and Methods: The method has been applied for multi-element analysis of the urine of 16 non-exposed healthy volunteers and 27 workers employed in a copper smelter. The analysis was conducted after initial 10-fold dilution of the urine samples with 0,1% nitric acid. Rhodium was used as an internal standard. The method validation parameters such as detection limit, sensitivity, precision were described for all elements. Accuracy of the method was checked by the regular use of certified reference materials ClinCheck®-Control Urine (Recipe as well as by participation of the laboratory in the German External Quality Assessment Scheme (G-EQUAS. Results: The detection limits (DL 3s of the applied method were 0.025, 0.007, 0.002, 0.004, 0.004, 0.086, 0.037, 0.009, 0.016, 0.008, 0.064 (μg/l for Al, As, Cd, Cr, Co, Cu, Fe, Mn, Ni, Pb, Zn in urine, respectively. For each element linearity with correlation coefficient of at least 0.999 was determined. Spectral interferences from some of the ions were removed using DRC-e with addition of alternative gas: methane for cobalt, copper, cadmium, chromium, iron, manganese, nickel and rhodium, and oxygen for arsenic. Conclusions: The developed method allows to determine simultaneously eleven elements in the urine with low detection limits, high sensitivity and good accuracy. Moreover, the method is appropriate for the assessment of both environmental and occupational exposure.

  19. Laser ablation-inductively coupled plasma-dynamic reaction cell-mass spectrometry for the multi-element analysis of polymers

    Energy Technology Data Exchange (ETDEWEB)

    Resano, M. [Laboratory of Analytical Chemistry, Ghent University, Institute for Nuclear Sciences, Proeftuinstraat 86, B-9000 Ghent (Belgium)]. E-mail: mresano@unizar.es; Garcia-Ruiz, E. [Laboratory of Analytical Chemistry, Ghent University, Institute for Nuclear Sciences, Proeftuinstraat 86, B-9000 Ghent (Belgium); Vanhaecke, F. [Laboratory of Analytical Chemistry, Ghent University, Institute for Nuclear Sciences, Proeftuinstraat 86, B-9000 Ghent (Belgium)

    2005-11-15

    In this work, the potential of laser ablation-inductively coupled plasma-mass spectrometry for the fast analysis of polymers has been explored. Different real-life samples (polyethylene shopping bags, an acrylonitrile butadiene styrene material and various plastic bricks) as well as several reference materials (VDA 001 to 004, Cd in polyethylene) have been selected for the study. Two polyethylene reference materials (ERM-EC 680 and 681), for which a reference or indicative value for the most relevant metals is available, have proved their suitability as standards for calibration. Special attention has been paid to the difficulties expected for the determination of Cr at the {mu}g g{sup -1} level in this kind of materials, due to the interference of ArC{sup +} ions on the most abundant isotopes of Cr. The use of ammonia as a reaction gas in a dynamic reaction cell is shown to alleviate this problem, resulting in a limit of detection of 0.15 {mu}g g{sup -1} for this element, while limiting only modestly the possibilities of the technique for simultaneous multi-element analysis. In this regard, As is the analyte most seriously affected by the use of ammonia, and its determination has to be carried out in vented mode, at the expense of measuring time. In all cases studied, accurate results could be obtained for elements ranging in content from the sub-{mu}g g{sup -1} level to tens of thousands of {mu}g g{sup -1}. However, the use of an element of known concentration as internal standard may be needed for materials with a matrix significantly different from that of the standard (polyethylene in this work). Precision ranged between 5% and 10% RSD for elements found at the 10 {mu}g g{sup -1} level or higher, while this value could deteriorate to 20% for analytes found at the sub-{mu}g g{sup -1} level. Overall, the technique evaluated presents many advantages for the fast and accurate multi-element analysis of these materials, avoiding laborious digestion procedures and

  20. Collective plasma corrections to thermonuclear reactions rates in dense plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Tsytovich, V.N. [General Physics Institute, Moscow (Russian Federation)

    2002-01-01

    General kinetic equations for nuclear reaction in dense plasmas are obtained. They take into account the first order collective plasma effects. Together with previously known corrections proportional to Z{sub i}Z{sub j}, the product of the charges Z{sub i} and Z{sub j} of two interacting nuclei, it is shown that there exist corrections proportional to the squares Z{sub i}{sup 2} and Z{sub j}{sup 2} of the charges. It is shown that the Salpeter's [1] correction due to the plasma screening of the interaction potential is at least r/d smaller (r is the nuclei size and d is Debye screening length) than previously thought and is zero in the approximation when the terms of the order r/d are neglected. But the correlation effects in the first approximation in the parameter 1/N{sub d} (where N{sub d} is the number of particle in the Debye sphere) give corrections which often coincide with the first order Salpeter's corrections (found by expansion in another small parameter, the ratio of thermal energy to Gamov's energy). The correlation corrections are {proportional_to} Z{sub i}Z{sub j}, have a different physical meaning than the corrections [1], can have a different sign and are present for reactions where the Salpeter's corrections are zero. Previously in astrophysical applications it was widely used the interpolation formulas between weak and strong Salpeter's screening corrections. Since the correlation correction take place the previously known Salpeter's corrections and the strong correlation corrections is difficult to describe analytically, the interpolation formulas between the weak and strong correlations cannot be yet found. A new type of corrections are found here which are proportional to the square of the charges. They are due to collective change in electrostatic self-energy of the plasma system during the nuclear reactions. The latter corrections are found by taking into account the changes of plasma particle fluctuations by

  1. Pre-equilibrium plasma dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Heinz, U.

    1986-01-01

    Approaches towards understanding and describing the pre-equilibrium stage of quark-gluon plasma formation in heavy-ion collisions are reviewed. Focus is on a kinetic theory approach to non-equilibrium dynamics, its extension to include the dynamics of color degrees of freedom when applied to the quark-gluon plasma, its quantum field theoretical foundations, and its relationship to both the particle formation stage at the very beginning of the nuclear collision and the hydrodynamic stage at late collision times. The usefulness of this approach to obtain the transport coefficients in the quark-gluon plasma and to derive the collective mode spectrum and damping rates in this phase are discussed. Comments are made on the general difficulty to find appropriated initial conditions to get the kinetic theory started, and a specific model is given that demonstrates that, once given such initial conditions, the system can be followed all the way through into the hydrodynamical regime. 39 refs., 7 figs. (LEW)

  2. Simultaneous determination of Se, trace elements and major elements in Se-rich rice by dynamic reaction cell inductively coupled plasma mass spectrometry (DRC-ICP-MS) after microwave digestion.

    Science.gov (United States)

    Wei, Yi Hua; Zhang, Jin Yan; Zhang, Da Wen; Luo, Lin Guang; Tu, Tian Hua

    2014-09-15

    A quick and accurate method was devised to determine Se, As, Ba, Ca, Cd, Cr, Cu, Fe, Mg, Mn, Ni, Pb, Sr and Zn in Se-rich rice samples by microwave digestion and inductively coupled plasma-mass spectrometry (ICP-MS). Spectral interferences on Se were eliminated using methane as a reaction gas in the dynamic reaction cell (DRC). Rhodium was used as an internal standard to compensate for sample matrix effects. A rice-certified reference material (CRM) (GBW 10010) was used to verify the accuracy of the method. The method detection limits were 0.001-0.03 mg/kg, analyte recoveries were 85-108% and precisions (RSDs) ranged from 2.1% to 5.8%. Correlation analysis showed that the Se concentrations in the Se-rich rice samples correlated well with the Cu concentrations (r=0.53, p<0.05).

  3. Determination of copper in coal fly ash in the presence of excess titanium by dynamic reaction cell inductively coupled plasma mass spectrometry.

    Science.gov (United States)

    Liu, Hui-Tao; Jiang, Shiuh-Jen

    2003-01-01

    Inductively coupled plasma quadrupole mass spectrometry (ICP-QMS) was used for the accurate determination of copper in coal fly ash samples in the presence of excess titanium, using the reaction of Cu(+) ions with NH(3) in the cell. The method eliminated the effect of polyatomic isobaric interferences at m/z 63 and 65 caused by the formation of (47)Ti(16)O(+), (49)Ti(16)O(+) and (47)Ti(18)O(+) on (63)Cu(+) and (65)Cu(+) by detecting Cu(+) as the product cluster ion Cu(NH(3))(2)(+). As the signal of (63)Cu(NH(3))(2)(+) overlapped with that of (97)Mo(+) which existed in the samples, (65)Cu(NH(3))(2)(+) was detected at m/z 99. The effect of the operating conditions of DRC system was studied in order to obtain the best signal to noise ratio for Cu(NH(3))(2)(+) at m/z 99. The formation of Cu(NH(3))(2)(+) was through the clustering reaction Cu(+)+2NH(3)-->Cu(NH(3))(2)(+) which resulted in the separation of analyte from the interfering oxide. The detection limit for Cu(NH(3))(2)(+) was 0.015 ng mL(-1) as Cu. The method was applied to the determination of copper in NIST SRM 1633a and 1633b coal fly ash reference materials. The precision between sample replicates was better than 2.0% and the analysis results were in good agreement with the certified values.

  4. Determination of copper in coal fly ash in the presence of excess titanium by dynamic reaction cell inductively coupled plasma mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Hui-Tao [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China); Jiang, Shiuh-Jen [Department of Chemistry, National Sun Yat-sen University, Kaohsiung 80424 (Taiwan)

    2003-01-01

    Inductively coupled plasma quadrupole mass spectrometry (ICP-QMS) was used for the accurate determination of copper in coal fly ash samples in the presence of excess titanium, using the reaction of Cu{sup +} ions with NH{sub 3} in the cell. The method eliminated the effect of polyatomic isobaric interferences at m/z 63 and 65 caused by the formation of {sup 47}Ti{sup 16}O{sup +}, {sup 49}Ti{sup 16}O{sup +} and {sup 47}Ti{sup 18}O{sup +} on {sup 63}Cu{sup +} and {sup 65}Cu{sup +} by detecting Cu{sup +} as the product cluster ion Cu(NH{sub 3}){sub 2}{sup +}. As the signal of {sup 63}Cu(NH{sub 3}){sub 2}{sup +} overlapped with that of {sup 97}Mo{sup +} which existed in the samples, {sup 65}Cu(NH{sub 3}){sub 2}{sup +} was detected at m/z 99. The effect of the operating conditions of DRC system was studied in order to obtain the best signal to noise ratio for Cu(NH{sub 3}){sub 2}{sup +} at m/z 99. The formation of Cu(NH{sub 3}){sub 2}{sup +} was through the clustering reaction Cu{sup +}+2NH{sub 3}{yields}Cu(NH{sub 3}){sub 2}{sup +} which resulted in the separation of analyte from the interfering oxide. The detection limit for Cu(NH{sub 3}){sub 2}{sup +} was 0.015 ng mL{sup -1} as Cu. The method was applied to the determination of copper in NIST SRM 1633a and 1633b coal fly ash reference materials. The precision between sample replicates was better than 2.0% and the analysis results were in good agreement with the certified values. (orig.)

  5. Development of a method based on inductively coupled plasma-dynamic reaction cell-mass spectrometry for the simultaneous determination of phosphorus, calcium and strontium in bone and dental tissue

    Energy Technology Data Exchange (ETDEWEB)

    De Muynck, David [Ghent University, Department of Analytical Chemistry, Krijgslaan 281-S12, BE-9000 Ghent (Belgium)], E-mail: David.DeMuynck@UGent.be; Vanhaecke, Frank [Ghent University, Department of Analytical Chemistry, Krijgslaan 281-S12, BE-9000 Ghent (Belgium)], E-mail: Frank.Vanhaecke@UGent.be

    2009-05-15

    A method, based on the use of a quadrupole-based inductively coupled plasma-mass spectrometry instrument equipped with a quadrupole-based collision/reaction cell (dynamic reaction cell, DRC), was developed for the simultaneous determination of phosphorus, calcium and strontium in bone and dental (enamel and dentine) tissue. The use of NH{sub 3}, introduced at a gas flow rate of 0.8 mL min{sup -1} in the dynamic reaction cell, combined with a rejection parameter q (RPq) setting of 0.65, allows interference-free determination of calcium via its low-abundant isotopes {sup 42}Ca, {sup 43}Ca and {sup 44}Ca, and of strontium via its isotopes {sup 86}Sr and {sup 88}Sr that are freed from overlap due to the occurrence of ArCa{sup +} and/or Ca{sub 2}{sup +} ions. Also the determination of phosphorus ({sup 31}P, mono-isotopic) was shown to be achievable using the same dynamic reaction cell operating conditions. The bone certified reference materials NIST SRM 1400 Bone Ash and NIST SRM 1486 Bone Meal were used for validation of the measurement protocol that was shown capable of providing accurate and reproducible results. Detection limits of P, Ca and Sr in dental tissue digests were established as 3 {mu}g L{sup -1} for P, 2 {mu}g L{sup -1} for Ca and 0.2 {mu}g L{sup -1} for Sr. This method can be used to simultaneously (i) evaluate the impact of diagenesis on the elemental and isotopic composition of buried skeletal tissue via its Ca/P ratio and (ii) determine its Sr concentration. The measurement protocol was demonstrated as fit-for-purpose by the analysis of a set of teeth of archaeological interest for their Ca/P ratio and Sr concentration.

  6. Dynamic Reaction Figures: An Integrative Vehicle for Understanding Chemical Reactions

    Science.gov (United States)

    Schultz, Emeric

    2008-01-01

    A highly flexible learning tool, referred to as a dynamic reaction figure, is described. Application of these figures can (i) yield the correct chemical equation by simply following a set of menu driven directions; (ii) present the underlying "mechanism" in chemical reactions; and (iii) help to solve quantitative problems in a number of different…

  7. Determination of (90)Sr in soil samples using inductively coupled plasma mass spectrometry equipped with dynamic reaction cell (ICP-DRC-MS).

    Science.gov (United States)

    Feuerstein, J; Boulyga, S F; Galler, P; Stingeder, G; Prohaska, T

    2008-11-01

    A rapid method is reported for the determination of (90)Sr in contaminated soil samples in the vicinity of the Chernobyl Nuclear Power Plant by ICP-DRC-MS. Sample preparation and measurement procedures focus on overcoming the isobaric interference of (90)Zr, which is present in soils at concentrations higher by more than six orders of magnitude than (90)Sr. Zirconium was separated from strontium in two steps to reduce the interference by (90)Zr(+) ions by a factor of more than 10(7): (i) by ion exchange using a Sr-specific resin and (ii) by reaction with oxygen as reaction gas in a dynamic reaction cell (DRC) of a quadrupole ICP-MS. The relative abundance sensitivity of the ICP-MS was studied systematically and the peak tailing originating from (88)Sr on mass 90 u was found to be about 3 x 10(-9). Detection limits of 4 fg g(-1) (0.02 Bq g(-1)) were achieved when measuring Sr solutions containing no Zr. In digested uncontaminated soil samples after matrix separation as well as in a solution of 5 microg g(-1) Sr and 50 ng g(-1) Zr a detection limit of 0.2 pg g(-1) soil (1 Bq g(-1) soil) was determined. (90)Sr concentrations in three soil samples collected in the vicinity of the Chernobyl Nuclear Power Plant were 4.66+/-0.27, 13.48+/-0.68 and 12.9+/-1.5 pg g(-1) corresponding to specific activities of 23.7+/-1.3, 68.6+/-3.5 and 65.6+/-7.8 Bq g(-1), respectively. The ICP-DRC-MS results were compared to the activities measured earlier by radiometry. Although the ICP-DRC-MS is inferior to commonly used radiometric methods with respect to the achievable minimum detectable activity it represents a time- and cost-effective alternative technique for fast monitoring of high-level (90)Sr contamination in environmental or nuclear industrial samples down to activities of about 1 Bq g(-1).

  8. Determination of {sup 90}Sr in soil samples using inductively coupled plasma mass spectrometry equipped with dynamic reaction cell (ICP-DRC-MS)

    Energy Technology Data Exchange (ETDEWEB)

    Feuerstein, J.; Boulyga, S.F.; Galler, P.; Stingeder, G. [Department of Chemistry, Division of Analytical Chemistry-VIRIS Laboratory, University of Natural Resources and Applied Life Sciences, Muthgasse 18, A-1190 Vienna (Austria); Prohaska, T. [Department of Chemistry, Division of Analytical Chemistry-VIRIS Laboratory, University of Natural Resources and Applied Life Sciences, Muthgasse 18, A-1190 Vienna (Austria)], E-mail: thomas.prohaska@boku.ac.at

    2008-11-15

    A rapid method is reported for the determination of {sup 90}Sr in contaminated soil samples in the vicinity of the Chernobyl Nuclear Power Plant by ICP-DRC-MS. Sample preparation and measurement procedures focus on overcoming the isobaric interference of {sup 90}Zr, which is present in soils at concentrations higher by more than six orders of magnitude than {sup 90}Sr. Zirconium was separated from strontium in two steps to reduce the interference by {sup 90}Zr{sup +} ions by a factor of more than 10{sup 7}: (i) by ion exchange using a Sr-specific resin and (ii) by reaction with oxygen as reaction gas in a dynamic reaction cell (DRC) of a quadrupole ICP-MS. The relative abundance sensitivity of the ICP-MS was studied systematically and the peak tailing originating from {sup 88}Sr on mass 90 u was found to be about 3 x 10{sup -9}. Detection limits of 4 fg g{sup -1} (0.02 Bq g{sup -1}) were achieved when measuring Sr solutions containing no Zr. In digested uncontaminated soil samples after matrix separation as well as in a solution of 5 {mu}g g{sup -1} Sr and 50 ng g{sup -1} Zr a detection limit of 0.2 pg g{sup -1} soil (1 Bq g{sup -1} soil) was determined. {sup 90}Sr concentrations in three soil samples collected in the vicinity of the Chernobyl Nuclear Power Plant were 4.66 {+-} 0.27, 13.48 {+-} 0.68 and 12.9 {+-} 1.5 pg g{sup -1} corresponding to specific activities of 23.7 {+-} 1.3, 68.6 {+-} 3.5 and 65.6 {+-} 7.8 Bq g{sup -1}, respectively. The ICP-DRC-MS results were compared to the activities measured earlier by radiometry. Although the ICP-DRC-MS is inferior to commonly used radiometric methods with respect to the achievable minimum detectable activity it represents a time- and cost-effective alternative technique for fast monitoring of high-level {sup 90}Sr contamination in environmental or nuclear industrial samples down to activities of about 1 Bq g{sup -1}.

  9. Influence of plasma density and plasma sheath dynamics on the ion implantation by plasma immersion technique

    OpenAIRE

    Ensinger, Wolfgang

    1996-01-01

    Influence of plasma density and plasma sheath dynamics on the ion implantation by plasma immersion technique / B. Rauschenbach ... - In: Nuclear instruments and methods in physics research. B. 113. 1996. S. 266-269

  10. Atom-Scale Reaction Pathways and Free-Energy Landscapes in Oxygen Plasma Etching of Graphene.

    Science.gov (United States)

    Koizumi, Kenichi; Boero, Mauro; Shigeta, Yasuteru; Oshiyama, Atsushi

    2013-05-16

    We report first-principles molecular dynamics calculations combined with rare events sampling techniques that clarify atom-scale mechanisms of oxygen plasma etching of graphene. The obtained reaction pathways and associated free-energy landscapes show that the etching proceeds near vacancies via a two-step mechanism, formation of precursor lactone structures and the subsequent exclusive CO2 desorption. We find that atomic oxygen among the plasma components is most efficient for etching, providing a guidline in tuning the plasma conditions.

  11. Probing Electrochemical Reactions at a Plasma-Liquid Interface

    Science.gov (United States)

    2015-03-16

    SECURITY CLASSIFICATION OF: The goal of this ARO STIR was to conduct preliminary investigations toward understanding electrochemical reactions...Mar-2015 Approved for Public Release; Distribution Unlimited Final Report: STIR: Probing Electrochemical Reactions at a Plasma-Liquid Interface (7.2...in peer-reviewed journals: Final Report: STIR: Probing Electrochemical Reactions at a Plasma-Liquid Interface (7.2 Electrochemistry) Report Title The

  12. Determination of glyphosate and AMPA in surface and waste water using high-performance ion chromatography coupled to inductively coupled plasma dynamic reaction cell mass spectrometry (HPIC-ICP-DRC-MS).

    Science.gov (United States)

    Popp, Maximilian; Hann, Stephan; Mentler, Axel; Fuerhacker, Maria; Stingeder, Gerhard; Koellensperger, Gunda

    2008-05-01

    A novel method employing high-performance cation chromatography in combination with inductively coupled plasma dynamic reaction cell mass spectrometry (ICP-DRC-MS) for the simultaneous determination of the herbicide glyphosate (N-phosphonomethylglycine) and its main metabolite aminomethyl phosphonic acid (AMPA) is presented. P was measured as (31)P(16)O(+) using oxygen as reaction gas. For monitoring the stringent target value of 0.1 μg L(-1) for glyphosate, applicable for drinking and surface water within the EU, a two-step enrichment procedure employing Chelex 100 and AG1-X8 resins was applied prior to HPIC-ICP-MS analysis. The presented approach was validated for surface water, revealing concentrations of 0.67 μg L(-1) glyphosate and 2.8 μg L(-1) AMPA in selected Austrian river water samples. Moreover, investigations at three waste water-treatment plants showed that elimination of the compounds at the present concentration levels was not straightforward. On the contrary, all investigated plant effluents showed significant amounts of both compounds. Concentration levels ranged from 0.5-2 μg L(-1) and 4-14 μg L(-1) for glyphosate and AMPA, respectively.

  13. 2D modeling and simulation of the flow dynamics, electric field and reactions in a low-temperature, atmospheric-pressure nitrogen plasma sharp-end plate-to-plane configuration and CVD reactor

    Science.gov (United States)

    De Wilde, Juray; Lorant, Christophe; Descamps, Pierre

    2017-04-01

    In atmospheric-pressure plasma reactors, the flow dynamics can be complex, determine the reactor performance and complicate scale-up. Coupling computational fluid dynamics to the calculation of the electric field and plasma chemistry is challenging because of the numerical stiffness introduced by the difference in time scale of the different phenomena involved. Focusing on low-temperature, atmospheric-pressure pure nitrogen plasma, a model and model reduction based solution strategy to deal with the numerical stiffness are presented and evaluated. The influence of the electric field on the flow dynamics and species concentration fields is first qualitatively studied by means of 2D simulations of a sharp-end plate-to-plane configuration. Next, a specific reactor prototype for low-temperature, atmospheric-pressure plasma-enhanced chemical vapor deposition for in-line surface treatments is simulated to illustrate the importance of accounting for the detailed flow dynamics.

  14. Simultaneous quantification of 17 trace elements in blood by dynamic reaction cell inductively coupled plasma mass spectrometry (DRC-ICP-MS) equipped with a high-efficiency sample introduction system.

    Science.gov (United States)

    D'Ilio, S; Violante, N; Di Gregorio, M; Senofonte, O; Petrucci, F

    2006-10-10

    A quadrupole inductively coupled plasma mass spectrometer (Q-ICP-MS) equipped with a dynamic reaction cell (DRC) and coupled with a desolvating nebulization system (APEX-IR) was employed to determine 17 elements (Al, As, Ba, Cd, Co, Cr, Li, Mn, Mo, Ni, Pb, Sb, Se, Sn, Sr, V, and Zr) in blood samples. Ammonia (for Al, Cr, Mn, and V) and O2 (for As and Se) were used as reacting gases. Selection of the best flow rate of the gases and optimization of the quadrupole dynamic bandpass tuning parameter (RPq) were carried out, using digested blood diluted 1+9 with deionized water and spiked with 1 microg L(-1) of Al, Cr, Mn, V and 5 microgL(-1) of As and Se. Detection limits were determined in digested blood using the 3sigma criterion. The desolvating system allowed a sufficient sensitivity to be achieved to determine elements at levels of ng L(-1) without detriment of signal stability. The accuracy of the method was tested with the whole blood certified reference material (CRM), certified for Al, As, Cd, Co, Cr, Mn, Mo, Ni, Pb, Sb, Se, and V, and with indicative values for Ba, Li, Sn, Sr, and Zr. The addition calibration approach was chosen for analysis. In order to confirm the DRC data, samples were also analyzed by means of sector field inductively coupled plasma mass spectrometry (SF-ICP-MS), operating in medium (m/Deltam=4000) and high (m/Deltam=10,000) resolution mode and achieving a good agreement between the two techniques.

  15. Reaction-diffusion problems in the physics of hot plasmas

    CERN Document Server

    Wilhelmsson, H

    2000-01-01

    The physics of hot plasmas is of great importance for describing many phenomena in the universe and is fundamental for the prospect of future fusion energy production on Earth. Nontrivial results of nonlinear electromagnetic effects in plasmas include the self-organization and self-formation in the plasma of structures compact in time and space. These are the consequences of competing processes of nonlinear interactions and can be best described using reaction-diffusion equations. Reaction-Diffusion Problems in the Physics of Hot Plasmas is focused on paradigmatic problems of a reaction-diffusion type met in many branches of science, concerning in particular the nonlinear interaction of electromagnetic fields with plasmas.

  16. Electron density and plasma dynamics of a colliding plasma experiment

    Energy Technology Data Exchange (ETDEWEB)

    Wiechula, J., E-mail: wiechula@physik.uni-frankfurt.de; Schönlein, A.; Iberler, M.; Hock, C.; Manegold, T.; Bohlender, B.; Jacoby, J. [Plasma Physics Group, Institute of Applied Physics, Goethe University, 60438 Frankfurt am Main (Germany)

    2016-07-15

    We present experimental results of two head-on colliding plasma sheaths accelerated by pulsed-power-driven coaxial plasma accelerators. The measurements have been performed in a small vacuum chamber with a neutral-gas prefill of ArH{sub 2} at gas pressures between 17 Pa and 400 Pa and load voltages between 4 kV and 9 kV. As the plasma sheaths collide, the electron density is significantly increased. The electron density reaches maximum values of ≈8 ⋅ 10{sup 15} cm{sup −3} for a single accelerated plasma and a maximum value of ≈2.6 ⋅ 10{sup 16} cm{sup −3} for the plasma collision. Overall a raise of the plasma density by a factor of 1.3 to 3.8 has been achieved. A scaling behavior has been derived from the values of the electron density which shows a disproportionately high increase of the electron density of the collisional case for higher applied voltages in comparison to a single accelerated plasma. Sequences of the plasma collision have been taken, using a fast framing camera to study the plasma dynamics. These sequences indicate a maximum collision velocity of 34 km/s.

  17. Markovian Dynamics on Complex Reaction Networks

    CERN Document Server

    Goutsias, John

    2012-01-01

    Complex networks, comprised of individual elements that interact with each other through reaction channels, are ubiquitous across many scientific and engineering disciplines. Examples include biochemical, pharmacokinetic, epidemiological, ecological, social, neural, and multi-agent networks. A common approach to modeling such networks is by a master equation that governs the dynamic evolution of the joint probability mass function of the underling population process and naturally leads to Markovian dynamics for such process. Due however to the nonlinear nature of most reactions, the computation and analysis of the resulting stochastic population dynamics is a difficult task. This review article provides a coherent and comprehensive coverage of recently developed approaches and methods to tackle this problem. After reviewing a general framework for modeling Markovian reaction networks and giving specific examples, the authors present numerical and computational techniques capable of evaluating or approximating...

  18. Dynamical Model of Weak Pion Production Reactions

    CERN Document Server

    Sato, T; Lee, T S H

    2003-01-01

    The dynamical model of pion electroproduction has been extended to investigate the weak pion production reactions. The predicted cross sections of neutrino-induced pion production reactions are in good agreement with the existing data. We show that the renormalized(dressed) axial N-$\\Delta$ form factor contains large dynamical pion cloud effects and this renormalization effects are crucial in getting agreement with the data. We conclude that the N-$\\Delta$ transitions predicted by the constituent quark model are consistent with the existing neutrino induced pion production data in the $\\Delta$ region.

  19. Recycling probability and dynamical properties of germinal center reactions

    CERN Document Server

    Meyer-Hermann, M; Or-Guil, M; Meyer-Hermann, Michael; Deutsch, Andreas; Or-Guil, Michal

    2001-01-01

    We introduce a new model for the dynamics of centroblasts and centrocytes in a germinal center. The model reduces the germinal center reaction to the elements considered as essential and embeds proliferation of centroblasts, point mutations of the corresponding antibody types represented in a shape space, differentiation to centrocytes, selection with respect to initial antigens, differentiation of positively selected centrocytes to plasma or memory cells and recycling of centrocytes to centroblasts. We use exclusively parameters with a direct biological interpretation such that, once determined by experimental data, the model gains predictive power. Based on the experiment of Han et al.(1995) we predict that a high rate of recycling of centrocytes to centroblasts is necessary for the germinal center reaction to work reliably. Furthermore, we find a delayed start of the production of plasma and memory cells with respect to the start of point mutations, which turns to be necessary for the optimization process ...

  20. Proteomics and the dynamic plasma membrane

    DEFF Research Database (Denmark)

    Sprenger, Richard R; Jensen, Ole Nørregaard

    2010-01-01

    plasma membrane is of particular interest, by not only serving as a barrier between the "cell interior" and the external environment, but moreover by organizing and clustering essential components to enable dynamic responses to internal and external stimuli. Defining and characterizing the dynamic plasma...... membrane proteome is crucial for understanding fundamental biological processes, disease mechanisms and for finding drug targets. Protein identification, characterization of dynamic PTMs and protein-ligand interactions, and determination of transient changes in protein expression and composition are among...... the challenges in functional proteomic studies of the plasma membrane. We review the recent progress in MS-based plasma membrane proteomics by presenting key examples from eukaryotic systems, including mammals, yeast and plants. We highlight the importance of enrichment and quantification technologies required...

  1. Vortex dynamics in plasmas and fluids

    DEFF Research Database (Denmark)

    Juul Rasmussen, J.; Lynov, Jens-Peter; Hesthaven, J.S.;

    1994-01-01

    The existence and dynamics of vortical structures in both homogeneous and inhomogeneous systems will be discussed. In particular the dynamics of monopolar and dipolar vortices in a plasma with nonuniform density and in a rotating fluid with varying Coriolis force is described. The role of vortical...

  2. Simulating the dynamics of complex plasmas

    CERN Document Server

    Schwabe, Mierk

    2014-01-01

    Complex plasmas are low-temperature plasmas that contain micrometer-size particles in addition to the neutral gas particles and the ions and electrons that make up the plasma. The microparticles interact strongly and display a wealth of collective effects. Here we report on linked numerical simulations that reproduce many of the experimental results of complex plasmas. We model a capacitively coupled plasma with a fluid code written for the commercial package comsol. The output of this model is used to calculate forces on microparticles. The microparticles are modeled using the molecular dynamics package lammps, which we extended to include the forces from the plasma. Using this method, we are able to reproduce void formation, the separation of particles of different sizes into layers, lane formation, vortex formation, and other effects.

  3. Chemical Reaction Dynamics in Nanoscle Environments

    Energy Technology Data Exchange (ETDEWEB)

    Evelyn M. Goldfield

    2006-09-26

    The major focus of the research in this program is the study of the behavior of molecular systems confined in nanoscale environments. The goal is to develop a theoretical framework for predicting how chemical reactions occur in nanoscale environments. To achieve this goal we have employed ab initio quantum chemistry, classical dynamics and quantum dynamics methods. Much of the research has focused on the behavior of molecules confined within single-walled carbon nanotubes (SWCNTs). We have also studied interactions of small molecules with the exterior surface of SWCNTs. Nonequilibrium molecular dynamics of interfaces of sliding surface interfaces have also been performed.

  4. Reaction dynamics in polyatomic molecular systems

    Energy Technology Data Exchange (ETDEWEB)

    Miller, W.H. [Lawrence Berkeley Laboratory, CA (United States)

    1993-12-01

    The goal of this program is the development of theoretical methods and models for describing the dynamics of chemical reactions, with specific interest for application to polyatomic molecular systems of special interest and relevance. There is interest in developing the most rigorous possible theoretical approaches and also in more approximate treatments that are more readily applicable to complex systems.

  5. Markovian dynamics on complex reaction networks

    Energy Technology Data Exchange (ETDEWEB)

    Goutsias, J., E-mail: goutsias@jhu.edu; Jenkinson, G., E-mail: jenkinson@jhu.edu

    2013-08-10

    Complex networks, comprised of individual elements that interact with each other through reaction channels, are ubiquitous across many scientific and engineering disciplines. Examples include biochemical, pharmacokinetic, epidemiological, ecological, social, neural, and multi-agent networks. A common approach to modeling such networks is by a master equation that governs the dynamic evolution of the joint probability mass function of the underlying population process and naturally leads to Markovian dynamics for such process. Due however to the nonlinear nature of most reactions and the large size of the underlying state-spaces, computation and analysis of the resulting stochastic population dynamics is a difficult task. This review article provides a coherent and comprehensive coverage of recently developed approaches and methods to tackle this problem. After reviewing a general framework for modeling Markovian reaction networks and giving specific examples, the authors present numerical and computational techniques capable of evaluating or approximating the solution of the master equation, discuss a recently developed approach for studying the stationary behavior of Markovian reaction networks using a potential energy landscape perspective, and provide an introduction to the emerging theory of thermodynamic analysis of such networks. Three representative problems of opinion formation, transcription regulation, and neural network dynamics are used as illustrative examples.

  6. Mode-Specific SN2 Reaction Dynamics.

    Science.gov (United States)

    Wang, Yan; Song, Hongwei; Szabó, István; Czakó, Gábor; Guo, Hua; Yang, Minghui

    2016-09-01

    Despite its importance in chemistry, the microscopic dynamics of bimolecular nucleophilic substitution (SN2) reactions is still not completely elucidated. In this publication, the dynamics of a prototypical SN2 reaction (F(-) + CH3Cl → CH3F + Cl(-)) is investigated using a high-dimensional quantum mechanical model on an accurate potential energy surface (PES) and further analyzed by quasi-classical trajectories on the same PES. While the indirect mechanism dominates at low collision energies, the direct mechanism makes a significant contribution. The reactivity is found to depend on the specific reactant vibrational mode excitation. The mode specificity, which is more prevalent in the direct reaction, is rationalized by a transition-state-based model.

  7. Shock Wave Dynamics in Weakly Ionized Plasmas

    Science.gov (United States)

    Johnson, Joseph A., III

    1999-01-01

    An investigation of the dynamics of shock waves in weakly ionized argon plasmas has been performed using a pressure ruptured shock tube. The velocity of the shock is observed to increase when the shock traverses the plasma. The observed increases cannot be accounted for by thermal effects alone. Possible mechanisms that could explain the anomalous behavior include a vibrational/translational relaxation in the nonequilibrium plasma, electron diffusion across the shock front resulting from high electron mobility, and the propagation of ion-acoustic waves generated at the shock front. Using a turbulence model based on reduced kinetic theory, analysis of the observed results suggest a role for turbulence in anomalous shock dynamics in weakly ionized media and plasma-induced hypersonic drag reduction.

  8. Theoretical studies of chemical reaction dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Schatz, G.C. [Argonne National Laboratory, IL (United States)

    1993-12-01

    This collaborative program with the Theoretical Chemistry Group at Argonne involves theoretical studies of gas phase chemical reactions and related energy transfer and photodissociation processes. Many of the reactions studied are of direct relevance to combustion; others are selected they provide important examples of special dynamical processes, or are of relevance to experimental measurements. Both classical trajectory and quantum reactive scattering methods are used for these studies, and the types of information determined range from thermal rate constants to state to state differential cross sections.

  9. The influence of gas-kinetic evolution on plasma reactions

    CERN Document Server

    Diver, D A; MacLachlan, C S; Potts, H E

    2008-01-01

    Plasmas in which there is a threshold for a dominant reaction to take place (such as recombination or attachment) will have particle distributions that evolve as the reaction progresses. The form of the Boltzmann collision term in such a context will cause the distribution to drift from its initial form, and so cause for example temperature fluctuations in the plasma if the distribution is originally Maxwellian. This behaviour will impact on the relevant reaction rates in a feedback loop that is missing from simple chemical kinetic descriptions since the plasma cannot be considered to be isothermal, as is the case in the latter approach. In this article we present a simple kinetic model that captures these essential features, showing how cumulative differences in the instantaneous species levels can arise over the purely chemical kinetic description, with implications for process yields and efficiencies.

  10. Neural Networks in Chemical Reaction Dynamics

    CERN Document Server

    Raff, Lionel; Hagan, Martin

    2011-01-01

    This monograph presents recent advances in neural network (NN) approaches and applications to chemical reaction dynamics. Topics covered include: (i) the development of ab initio potential-energy surfaces (PES) for complex multichannel systems using modified novelty sampling and feedforward NNs; (ii) methods for sampling the configuration space of critical importance, such as trajectory and novelty sampling methods and gradient fitting methods; (iii) parametrization of interatomic potential functions using a genetic algorithm accelerated with a NN; (iv) parametrization of analytic interatomic

  11. Molecular beam studies of reaction dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Y.T. [Lawrence Berkeley Laboratory, CA (United States)

    1993-12-01

    The major thrust of this research project is to elucidate detailed dynamics of simple elementary reactions that are theoretically important and to unravel the mechanism of complex chemical reactions or photochemical processes that play important roles in many macroscopic processes. Molecular beams of reactants are used to study individual reactive encounters between molecules or to monitor photodissociation events in a collision-free environment. Most of the information is derived from measurement of the product fragment energy, angular, and state distributions. Recent activities are centered on the mechanisms of elementary chemical reactions involving oxygen atoms with unsaturated hydrocarbons, the dynamics of endothermic substitution reactions, the dependence of the chemical reactivity of electronically excited atoms on the alignment of excited orbitals, the primary photochemical processes of polyatomic molecules, intramolecular energy transfer of chemically activated and locally excited molecules, the energetics of free radicals that are important to combustion processes, the infrared-absorption spectra of carbonium ions and hydrated hydronium ions, and bond-selective photodissociation through electric excitation.

  12. Detection of hydroxyl radical in plasma reaction on toluene removal

    Institute of Scientific and Technical Information of China (English)

    GUO Yufang; LIAO Xiaobin; YE Daiqi

    2008-01-01

    A new method was introduced to detect the concentration of OH radical in dielectric barrier discharge (DBD) reaction. A film, which was impregnated with salicylic acid, was used to detect OH radical in plasma reaction at room temperature and atmospheric pressure. Salicylic acid reacts with OH radical and produces 2,5-dihydroxybenzoic acid (2,5-DHBA). Then, a high performance liquid chromatography (HPLC) was carded out to detect the concentration of 2,5-DHBA. Therefore, OH radical in nonthermal plasma reaction could be calculated. In this plasma reaction, the applied voltage was controlled at 10 kV, the initial concentration of toluene was 400 mg/m3, and the gas flow rate was 300 ml/min. It was observed that when the film was placed away from the plasma area, 2,5-DHBA could not be detected by HPLC, although the sampling thne lasted for 48 h. On the other hand, when the film was placed in the plasma area and the sampling time being too long ( 4 h), the concentration of 2,5-DHBA was also below detection limit, and it could not be detected by HPLC. However, when the fihn was placed in the plasma reaction field with the sampling time being 3 h, the concentration of OH radical was calculated to be 10.54 × 1012 cm-3. In addition, concentration of OH radical was investigated under different humidity, such as 0.2%, 0.4%, 0.6%, 0.8%, and 1.0%. The results showed that the amount of OH radical stayed at order of magnitude of 1012 cm-3 and increased with the increase of humidity.

  13. Chemical reaction and dust formation studies in laboratory hydrocarbon plasmas.

    Science.gov (United States)

    Hippler, Rainer; Majumdar, Abhijit; Thejaswini, H. C.

    Plasma chemical reaction studies with relevance to, e.g., Titan's atmosphere have been per-formed in various laboratory plasmas [1,2]. Chemical reactions in a dielectric barrier discharge at medium pressure of 250-300 mbar have been studied in CH4 /N2 and CH4 /Ar gas mixtures by means of mass spectrometry. The main reaction scheme is production of H2 by fragmenta-tion of CH4 , but also production of larger hydrocarbons like Cn Hm with n up to 10 including formation of different functional CN groups is observed. [1] A. Majumdar and R. Hippler, Development of dielectric barrier discharge plasma processing apparatus for mass spectrometry and thin film deposition, Rev. Sci. Instrum. 78, 075103 (2007) [2] H.T. Do, G. Thieme, M. Frühlich, H. Kersten, and R. Hippler, Ion Molecule and Dust Particle Formation in Ar/CH4 , Ar/C2 H2 and Ar/C3 H6 Radio-frequency Plasmas, Contrib. Plasma Phys. 45, No. 5-6, 378-384 (2005)

  14. Molecular dynamics simulations of magnetized dusty plasmas

    Science.gov (United States)

    Piel, Alexander; Reichstein, Torben; Wilms, Jochen

    2012-10-01

    The combination of the electric field that confines a dust cloud with a static magnetic field generally leads to a rotation of the dust cloud. In weak magnetic fields, the Hall component of the ion flow exerts a drag force that sets the dust in rotation. We have performed detailed molecular-dynamics simulations of the dynamics of torus-shaped dust clouds in anodic plasmas. The stationary flow [1] is characterized by a shell structure in the laminar dust flow and by the spontaneous formation of a shear-flow around a stationary vortex. Here we present new results on dynamic phenomena, among them fluctuations due to a Kelvin-Helmholtz instability in the shear-flow. The simulations are compared with experimental results. [4pt] [1] T. Reichstein, A. Piel, Phys. Plasmas 18, 083705 (2011)

  15. Laser Plasmas : Plasma dynamics from laser ablated solid lithium

    Indian Academy of Sciences (India)

    Debarati Bhattacharya

    2000-11-01

    Emission plasma plume generated by pulsed laser ablation of a lithium solid target by a ruby laser (694 nm, 20 ns, 3 J) was subjected to optical emission spectroscopy: time and space resolved optical emission was characterised as a function of distance from the target surface. Propagation of the plume was studied through ambient background of argon gas. Spectroscopic observations can, in general, be used to analyse plume structure with respect to an appropriate theoretical plasma model. The plume expansion dynamics in this case could be explained through a shock wave propagation model wherein, the experimental observations made were seen to fit well with the theoretical predictions. Spectral information derived from measurement of peak intensity and line width determined the parameters, electron temperature (e) and electron number density e, typically used to characterise laser produced plasma plume emission. These measurements were also used to validate the assumptions underlying the local thermodynamic equilibrium (LTE) model, invoked for the high density laser plasma under study. Some interesting results pertaining to the analysis of plume structure and spatio-temporal behaviour of e and e along the plume length will be presented and discussed.

  16. Quantum dynamics of fast chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Light, J.C. [Univ. of Chicago, IL (United States)

    1993-12-01

    The aims of this research are to explore, develop, and apply theoretical methods for the evaluation of the dynamics of gas phase collision processes, primarily chemical reactions. The primary theoretical tools developed for this work have been quantum scattering theory, both in time dependent and time independent forms. Over the past several years, the authors have developed and applied methods for the direct quantum evaluation of thermal rate constants, applying these to the evaluation of the hydrogen isotopic exchange reactions, applied wave packet propagation techniques to the dissociation of Rydberg H{sub 3}, incorporated optical potentials into the evaluation of thermal rate constants, evaluated the use of optical potentials for state-to-state reaction probability evaluations, and, most recently, have developed quantum approaches for electronically non-adiabatic reactions which may be applied to simplify calculations of reactive, but electronically adiabatic systems. Evaluation of the thermal rate constants and the dissociation of H{sub 3} were reported last year, and have now been published.

  17. New methods for quantum mechanical reaction dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, Ward Hugh [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry

    1996-12-01

    Quantum mechanical methods are developed to describe the dynamics of bimolecular chemical reactions. We focus on developing approaches for directly calculating the desired quantity of interest. Methods for the calculation of single matrix elements of the scattering matrix (S-matrix) and initial state-selected reaction probabilities are presented. This is accomplished by the use of absorbing boundary conditions (ABC) to obtain a localized (L2) representation of the outgoing wave scattering Green`s function. This approach enables the efficient calculation of only a single column of the S-matrix with a proportionate savings in effort over the calculation of the entire S-matrix. Applying this method to the calculation of the initial (or final) state-selected reaction probability, a more averaged quantity, requires even less effort than the state-to-state S-matrix elements. It is shown how the same representation of the Green`s function can be effectively applied to the calculation of negative ion photodetachment intensities. Photodetachment spectroscopy of the anion ABC- can be a very useful method for obtaining detailed information about the neutral ABC potential energy surface, particularly if the ABC- geometry is similar to the transition state of the neutral ABC. Total and arrangement-selected photodetachment spectra are calculated for the H3O- system, providing information about the potential energy surface for the OH + H2 reaction when compared with experimental results. Finally, we present methods for the direct calculation of the thermal rate constant from the flux-position and flux-flux correlation functions. The spirit of transition state theory is invoked by concentrating on the short time dynamics in the area around the transition state that determine reactivity. These methods are made efficient by evaluating the required quantum mechanical trace in the basis of eigenstates of the

  18. Thomson Scattering Measurements of Plasma Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Holl, A; Redmer, R; Tschentscher, T; Toleikis, S; Forster, E; Cao, L; Glenzer, S H; Neumayer, P

    2006-03-29

    The authors propose to investigate the dynamics of plasmas in the warm dense matter (WDM) regime on ultra-short time scales. Accessible plasma conditions are in the density range of n = 10{sup 20} - 10{sup 23} cm{sup -3} and at moderate temperatures of T = 1 - 20 eV. These plasmas are of importance for laboratory astrophysics, high energy density science and inertial confinement fusion. They are characterized by a coupling parameter of {Lambda} {approx}> 1, where electromagnetic interactions are of the same order as the kinetic energy. The high density of the plasma makes it opaque to radiation in the visible range and, as a consequence, UV up to x-ray radiation can be used to probe such systems. Therefore a wide range in the temperature-density plane of WDM is presently unexplored and only the VUV-FEL opens for the first time the opportunity for its detailed investigation. In equilibrium, the macroscopic state of the plasma is completely characterized by its density and temperature. In pump-probe experiments however, the plasma is initially in a nonequilibrium state and relaxes towards equilibrium within the relaxation time {tau}{sub R}. For t > {tau}{sub R}, the plasma is in an equilibrium state and expands hydrodynamically on a time scale {tau}{sub H}. The proposed experiment measures the time-resolved Thomson scattering signal with the VUV-FEL radiation characterizing the plasma in equilibrium and nonequilibrium states. Both regimes are extremely interesting and will provide new insight into the following phenomena: (1) details of nonequilibrium correlations, (2) relaxation phenomena, (3) hydrodynamic expansion, (4) recombination kinetics. The time-resolved Thomson scattering signal is obtained in a pump-probe experiment by varying the delay between pump and probe. The final stage of the relaxation process (t {approx} {tau}{sub R}) is of special interest since the plasma components (electrons and ion species) can be assumed to be in quasi-equilibrium. This

  19. The Center for Multiscale Plasma Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Kevrekidis, Yannis G

    2015-01-20

    This final report describes research performed in Princeton University, led by Professor Yannis G. Kevrekidis, over a period of six years (August 1, 2014 to July 31, 2010, including a one-year, no-cost extension) as part of the Center for Multiscale Plasma Dynamics led by the University of Maryland. The work resulted in the development and implementation of several multiscale algorithms based on the equation-free approach pioneered by the PI, including its applications in plasma dynamics problems. These algoriithms include coarse projective integration and coarse stability/bifurcation computations. In the later stages of the work, new links were made between this multiscale, coarse-graining approach and advances in data mining/machine learning algorithms.

  20. The center for multiscale plasma dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Kevrekidis, Yannis G [Princeton Univ., Princeton, NJ (United States)

    2015-01-20

    This final report describes research performed in Princeton University, led by Professor Yannis G. Kevrekidis, over a period of six years (August 1, 2014 to July 31, 2010, including a one-year, no-cost extension) as part of the Center for Multiscale Plasma Dynamics led by the University of Maryland. The work resulted in the development and implementation of several multiscale algorithms based on the equation-free approach pioneered by the PI, including its applications in plasma dynamics problems. These algoriithms include coarse projective integration and coarse stability/bifurcation computations. In the later stages of the work, new links were made between this multiscale, coarse-graining approach and advances in data mining/machine learning algorithms.

  1. Dynamics of Exploding Plasma Within a Magnetized Plasma

    Energy Technology Data Exchange (ETDEWEB)

    Dimonte, G; Dipeso, G; Hewett, D

    2002-02-01

    This memo describes several possible laboratory experiments on the dynamics of an exploding plasma in a background magnetized plasma. These are interesting scientifically and the results are applicable to energetic explosions in the earth's ionosphere (DOE Campaign 7 at LLNL). These proposed experiments are difficult and can only be performed in the new LAPD device at UCLA. The purpose of these experiments would be to test numerical simulations, theory and reduced models for systems performance codes. The experiments are designed to investigate the affect of the background plasma on (1) the maximum diamagnetic bubble radius given by Eq. 9; and (2) the Alfven wave radiation efficiency produced by the induced current J{sub A} (Eqs. 10-12) These experiments involve measuring the bubble radius using a fast gated optical imager as in Ref [1] and the Alfven wave profile and intensity as in Ref [2] for different values of the exploding plasma energy, background plasma density and temperature, and background magnetic field. These experiments extend the previously successful experiments [2] on Alfven wave coupling. We anticipate that the proposed experiments would require 1-2 weeks of time on the LAPD. We would perform PIC simulations in support of these experiments in order to validate the codes. Once validated, the PIC simulations would then be able to be extended to realistic ionospheric conditions with various size explosions and altitudes. In addition to the Alfven wave coupling, we are interested in the magnetic containment and transport of the exploding ''debris'' plasma to see if the shorting of the radial electric field in the magnetic bubble would allow the ions to propagate further. This has important implications in an ionospheric explosion because it defines the satellite damage region. In these experiments, we would field fast gated optical cameras to obtain images of the plasma expansion, which could then be correlated with magnetic

  2. On the dynamics of space plasma

    Science.gov (United States)

    Albert, Jay; Chan, Chung; Silevitch, Michael; Villalon, Elena

    1992-09-01

    The research was focused into three related areas. These were: (1) an examination of stochastic electron acceleration mechanisms in the ionosphere and the resulting dynamics of magnetospheric (i.e., Radiation Belt) particles and waves; (2) a study of nonadiabatic particle orbits and the electrodynamic structure of the coupled magnetosphere-ionosphere auroral arc system; (3) an experimental investigation of the wake signatures created by a solid body immersed in a flowing plasma.

  3. Multi-elemental characterization of tunnel and road dusts in Houston, Texas using dynamic reaction cell-quadrupole-inductively coupled plasma-mass spectrometry: Evidence for the release of platinum group and anthropogenic metals from motor vehicles

    Energy Technology Data Exchange (ETDEWEB)

    Spada, Nicholas; Bozlaker, Ayse [Department of Civil and Environmental Engineering, University of Houston, Houston, TX 77204-4003 (United States); Chellam, Shankararaman, E-mail: chellam@uh.edu [Department of Civil and Environmental Engineering, University of Houston, Houston, TX 77204-4003 (United States); Department of Chemical and Biomolecular Engineering, University of Houston, Houston, TX 77204-4004 (United States)

    2012-07-20

    Highlights: Black-Right-Pointing-Pointer Analytical method for PGEs, main group, transition and rare earth metals developed. Black-Right-Pointing-Pointer Comprehensive characterization of road and tunnel dust samples was accomplished. Black-Right-Pointing-Pointer PGEs in dusts arise from autocatalyst attrition. Black-Right-Pointing-Pointer Mobile sources also contributed to Cu, Zn, Ga, As, Mo, Cd, Sn, Sb, Ba, W and Pb. Black-Right-Pointing-Pointer All other elements, including rare earths arose from crustal sources. - Abstract: Platinum group elements (PGEs) including Rh, Pd, and Pt are important tracers for vehicular emissions, though their measurement is often challenging and difficult to replicate in environmental campaigns. These challenges arise from sample preparation steps required for PGE quantitation, which often cause severe isobaric interferences and spectral overlaps from polyatomic species of other anthropogenically emitted metals. Consequently, most previous road dust studies have either only quantified PGEs or included a small number of anthropogenic elements. Therefore a novel analytical method was developed to simultaneously measure PGEs, lanthanoids, transition and main group elements to comprehensively characterize the elemental composition of urban road and tunnel dusts. Dust samples collected from the vicinity of high-traffic roadways and a busy underwater tunnel restricted to single-axle (predominantly gasoline-driven) vehicles in Houston, TX were analyzed for 45 metals with the newly developed method using dynamic reaction cell-quadrupole-inductively coupled plasma-mass spectrometry (DRC-q-ICP-MS). Average Rh, Pd and Pt concentrations were 152 {+-} 52, 770 {+-} 208 and 529 {+-} 130 ng g{sup -1} respectively in tunnel dusts while they varied between 6 and 8 ng g{sup -1}, 10 and 88 ng g{sup -1} and 35 and 131 ng g{sup -1} in surface road dusts. Elemental ratios and enrichment factors demonstrated that PGEs in dusts originated from autocatalyst

  4. Photochemical Reactions of Cyclohexanone: Mechanisms and Dynamics.

    Science.gov (United States)

    Shemesh, Dorit; Nizkorodov, Sergey A; Gerber, R Benny

    2016-09-15

    Photochemistry of carbonyl compounds is of major importance in atmospheric and organic chemistry. The photochemistry of cyclohexanone is studied here using on-the-fly molecular dynamics simulations on a semiempirical multireference configuration interaction potential-energy surface to predict the distribution of photoproducts and time scales for their formation. Rich photochemistry is predicted to occur on a picosecond time scale following the photoexcitation of cyclohexanone to the first singlet excited state. The main findings include: (1) Reaction channels found experimentally are confirmed by the theoretical simulations, and a new reaction channel is predicted. (2) The majority (87%) of the reactive trajectories start with a ring opening via C-Cα bond cleavage, supporting observations of previous studies. (3) Mechanistic details, time scales, and yields are predicted for all reaction channels. These benchmark results shed light on the photochemistry of isolated carbonyl compounds in the atmosphere and can be extended in the future to photochemistry of more complex atmospherically relevant carbonyl compounds in both gaseous and condensed-phase environments.

  5. DYNAMIC SPECTRAL MAPPING OF INTERSTELLAR PLASMA LENSES

    Energy Technology Data Exchange (ETDEWEB)

    Tuntsov, Artem V.; Walker, Mark A. [Manly Astrophysics, 3/22 Cliff Street, Manly 2095 (Australia); Koopmans, Leon V. E. [Kapteyn Astronomical Institute, University of Groningen, P.O. Box 800, NL-9700 AV Groningen (Netherlands); Bannister, Keith W.; Stevens, Jamie; Johnston, Simon [CSIRO Astronomy and Space Science, P.O. Box 76, Epping NSW 1710 (Australia); Reynolds, Cormac; Bignall, Hayley E., E-mail: Artem.Tuntsov@manlyastrophysics.org, E-mail: Mark.Walker@manlyastrophysics.org, E-mail: koopmans@astro.rug.nl [International Centre for Radio Astronomy Research—Curtin University, Perth (Australia)

    2016-02-01

    Compact radio sources sometimes exhibit intervals of large, rapid changes in their flux density, due to lensing by interstellar plasma crossing the line of sight. A novel survey program has made it possible to discover these “Extreme Scattering Events” (ESEs) in real time, resulting in a high-quality dynamic spectrum of an ESE observed in PKS 1939–315. Here we present a method for determining the column-density profile of a plasma lens, given only the dynamic radio spectrum of the lensed source, under the assumption that the lens is either axisymmetric or totally anisotropic. Our technique relies on the known, strong frequency dependence of the plasma refractive index in order to determine how points in the dynamic spectrum map to positions on the lens. We apply our method to high-frequency (4.2–10.8 GHz) data from the Australia Telescope Compact Array of the PKS 1939–315 ESE. The derived electron column-density profiles are very similar for the two geometries we consider, and both yield a good visual match to the data. However, the fit residuals are substantially above the noise level, and deficiencies are evident when we compare the predictions of our model to lower-frequency (1.6–3.1 GHz) data on the same ESE, thus motivating future development of more sophisticated inversion techniques.

  6. Dynamic spectral mapping of interstellar plasma lenses

    CERN Document Server

    Tuntsov, Artem V; Koopmans, Leon V E; Bannister, Keith W; Stevens, Jamie; Johnston, Simon; Reynolds, Cormac; Bignall, Hayley E

    2015-01-01

    Compact radio sources sometimes exhibit intervals of large, rapid changes in their flux-density, due to lensing by interstellar plasma crossing the line-of-sight. A novel survey program has made it possible to discover these "Extreme Scattering Events" (ESEs) in real time, resulting in a high-quality dynamic spectrum of an ESE observed in PKS 1939-315. Here we present a method for determining the column-density profile of a plasma lens, given only the dynamic radio spectrum of the lensed source, under the assumption that the lens is either axisymmetric or totally anisotropic. Our technique relies on the known, strong frequency dependence of the plasma refractive index in order to determine how points in the dynamic spectrum map to positions on the lens. We apply our method to high-frequency (4.2-10.8 GHz) data from the Australia Telescope Compact Array of the PKS 1939-315 ESE. The derived electron column-density profiles are very similar for the two geometries we consider, and both yield a good visual match t...

  7. Energy Considerations for Plasma-Assisted N-Fixation Reactions

    Directory of Open Access Journals (Sweden)

    Aikaterini Anastasopoulou

    2014-09-01

    Full Text Available In a time of increasing concerns about the immense energy consumption and poor environmental performance of contemporary processes in the chemical industry, there is great need to develop novel sustainable technologies that enhance energy efficiency. There is abundant chemical literature on process innovations (laboratory-scale around the plasma reactor itself, which, naturally, is the essential part to be intensified to achieve a satisfactory process. In essence, a plasma process needs attention beyond reaction engineering towards the process integration side and also with strong electrical engineering focus. In this mini-review, we have detailed our future focus on the process and energy intensification of plasma-based N-fixation. Three focal points are mainly stressed throughout the review: (I the integration of renewable energy; (II the power supply system of plasma reactors and (III process design of industrial plasma-assisted nitrogen fixation. These different enabling strategies will be set in a holistic and synergetic picture so as to improve process performance.

  8. Accelerating Calculations of Reaction Dissipative Particle Dynamics in LAMMPS

    Science.gov (United States)

    2017-05-17

    and generally requires more time to solve per particle . This means that roughly half of the MPI processes will have higher reaction run times, while...ARL-TR-8018 ● MAY 2017 US Army Research Laboratory Accelerating Calculations of Reaction Dissipative Particle Dynamics in LAMMPS...Research Laboratory Accelerating Calculations of Reaction Dissipative Particle Dynamics in LAMMPS by Christopher P Stone Computational

  9. Reaction dynamics and photochemistry of divalent systems

    Energy Technology Data Exchange (ETDEWEB)

    Davis, H. Floyd [Univ. of California, Berkeley, CA (United States)

    1992-05-01

    Results are presented of molecular beam studies of bimolecular and unimolecular reactions of Ba. Chapter 1 discusses the reaction Ba + NO2. Formation of the dominant BaO(1Σ) + NO products resulted primarily from decay of long-lived Ba+NO2- collision complexes. Secondary mechanisms led to formation of forward scattered, internally excited BaO, and BaNO + O. Do(Ba-NO) = 65±20 kcal/mol. Reactions of ground state and electronically excited Ba with water and alcohols are examined in Chapter 2. Reaction of Ba(1S) + H2O led to BaO + H2, whereas excited state Ba(1D) + H2O reacted to form BaOH + H. Collisions between Ba and CH3OH led to BaOCH3 + H. Radical channels involve H-atom migration and are promoted by excitation of the incident Ba atom. In Chapter 3, reactions of Ba(1S) with ClO22 and O3 are discussed. Again, direct and complex mechanisms were observed. Formation of BaCl + O2 from decomposition of Ba+ClO2- accounted for 10% of total reaction crass section. Although Ba + O3 → BaO + 02 occurs primarily by direct reaction mechanisms, the secondary channel Ba + 03 → BaO2 + 0 involved decay of long lived Ba1+O3- intermediates. Do(Ba-O2) = 120 ±20 kcal/mol. Photodissociation dynamics of NO3 is explored in chapter 4. Visible excitation leads to formation of NO + 02 and NO2 + O. Wavelength dependence of branching ratios is investigated. Do(O-NO2) = 48.55 kcal/mole ;and calculate ΔHf(NO3) = 17.75 kcal/mole (298K). Chapter 5 discusses the photodissociation of OClO in a molecular beam. Although ClO(2II) + O(3P) is dominant, Cl(2P) + O2

  10. The molecular dynamics of atmospheric reaction

    Science.gov (United States)

    Polanyi, J. C.

    1971-01-01

    Detailed information about the chemistry of the upper atmosphere took the form of quantitative data concerning the rate of reaction into specified states of product vibration, rotation and translation for exothermic reaction, as well as concerning the rate of reaction from specified states of reagent vibration, rotation and translation for endothermic reaction. The techniques used were variants on the infrared chemiluminescence method. Emphasis was placed on reactions that formed, and that removed, vibrationally-excited hydroxyl radicals. Fundamental studies were also performed on exothermic reactions involving hydrogen halides.

  11. Model of the Dynamics of Plasma-Wave Channels in Magnetized Plasmas

    Science.gov (United States)

    Shirokov, E. A.; Chugunov, Yu. V.

    2016-06-01

    We analyze the dynamics of the plasma-wave channels excited in magnetized plasmas in the whistler frequency range. A linear theory of excitation of a plasma waveguide by an external source is developed using the quasistatic approximation. Self-consistent spatio-temporal distributions of the electric field of quasipotential waves and plasma density, which are solutions of the nonlinear nonstationary problem of the ionizing self-channeling of waves in plasmas are found on the basis of the linear theory.

  12. Reactions of Laser Ablation-magnesium Plasma with Methanol Clusters

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The laser ablation-molecular beam(LA-MB) method is useful for studying the reactions of metal ions with molecular clusters. Reactions of magnesium plasma with methanol clusters were studied by using this method. A specially designed reaction cell was used as a fast flow reactor operated under thermal conditions, and the reaction products were measured with a time-of-flight(TOF) mass spectrometer. Surprisingly, several series of cluster ions with complex sizes and intensity distributions were obtained when the laser ablating was applied to different parts of the molecular beam. In the front part of the molecular beam, strong Mg+ (CH3OH)n ( n = 0-5 ) and weak H+ (CH3OH)n (n = 0-5) cluster ions were observed with relatively small cluster sizes; in the middle part of the molecular beam,the main cluster ions were H+(CH3OH)n(n =6-17) and H+(H2O)2(CH3OH)n(n =6-17) with a relatively large cluster size and a weak intensity; in the back part of the molecular beam, two new series of cluster ions,MgO+ (H2O) (CH3OH) n ( n = 6-10) and MgOCH3+ (CH3OH)n ( n = 6-10), were obtained and accompanied by weak H+ (CH3OH)n(n = 4-7) and H+ (H2O)2 (CH3OH)n (n= 3-6). The formation mechanisms and speed characteristics of the cluster ions are discussed in this article.

  13. Secondary Nuclear Reactions in Magneto-Inertial Fusion Plasmas

    Science.gov (United States)

    Knapp, Patrick

    2014-10-01

    The goal of Magneto-Inertial Fusion (MIF) is to relax the extreme pressure requirements of inertial confinement fusion by magnetizing the fuel. Understanding the level of magnetization at stagnation is critical for charting the performance of any MIF concept. We show here that the secondary nuclear reactions in magnetized deuterium plasma can be used to infer the magnetic field-radius product (BR), the critical confinement parameter for MIF. The secondary neutron yields and spectra are examined and shown to be extremely sensitive to BR. In particular, embedded magnetic fields are shown to affect profoundly the isotropy of the secondary neutron spectra. Detailed modeling of these spectra along with the ratio of overall secondary to primary neutron yields is used to form the basis of a diagnostic technique used to infer BR at stagnation. Effects of gradients in density, temperature and magnetic field strength are examined, as well as other possible non-uniform fuel configurations. Computational results employing a fully kinetic treatment of charged reaction product transport and Monte Carlo treatment of secondary reactions are compared to results from recent experiments at Sandia National Laboratories' Z machine testing the MAGnetized Liner Inertial Fusion (MagLIF) concept. The technique reveals that the charged reaction products were highly magnetized in these experiments. Implications for eventual ignition-relevant experiments with deuterium-tritium fuel are discussed. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000.

  14. Ultra-low frequency shock dynamics in degenerate relativistic plasmas

    Science.gov (United States)

    Islam, S.; Sultana, S.; Mamun, A. A.

    2017-09-01

    A degenerate relativistic three-component plasma model is proposed for ultra-low frequency shock dynamics. A reductive perturbation technique is adopted, leading to Burgers' nonlinear partial differential equation. The properties of the shock waves are analyzed via the stationary shock wave solution for different plasma configuration parameters. The role of different intrinsic plasma parameters, especially the relativistic effects on the linear wave properties and also on the shock dynamics, is briefly discussed.

  15. Infrared Absorption Spectroscopic Study on Reaction between Self-Assembled Monolayers and Atmospheric-Pressure Plasma

    Directory of Open Access Journals (Sweden)

    Masanori Shinohara

    2015-01-01

    Full Text Available Plasma is becoming increasingly adopted in bioapplications such as plasma medicine and agriculture. This study investigates the interaction between plasma and molecules in living tissues, focusing on plasma-protein interactions. To this end, the reaction of air-pressure air plasma with NH2-terminated self-assembled monolayer is investigated by infrared spectroscopy in multiple internal reflection geometry. The atmospheric-pressure plasma decomposed the NH2 components, the characteristic units of proteins. The decomposition is attributed to water clusters generated in the plasma, indicating that protein decomposition by plasma requires humid air.

  16. Modeling of neutral gas dynamics in high-density plasmas

    Science.gov (United States)

    Canupp, Patrick Wellington

    This thesis describes a physical model of chemically reactive neutral gas flow and discusses numerical solutions of this model for the flow in an inductively coupled plasma etch reactor. To obtain these solutions, this research develops an efficient, implicit numerical method. As a result of the enhanced numerical stability of the scheme, large time steps advance the solution from initial conditions to a final steady state in fewer iterations and with less computational expense than simpler explicit methods. This method would incorporate suitably as a module in currently existing large scale plasma simulation tools. In order to demonstrate the accuracy of the numerical technique, this thesis presents results from two simulations of flows that possess theoretical solutions. The first case is the inviscid flow of a gas through a converging nozzle. A comparison of the numerical solution to isentropic flow theory shows that the numerical technique capably captures the essential flow features of this environment. The second case is the Couette flow of a gas between two parallel plates. The simulation results compare well with the exact solution for this flow. After establishing the accuracy of the numerical technique, this thesis discusses results for the flow of chemically reactive gases in a chlorine plasma etch reactor. This research examines the influence of the plasma on the neutral gas and the dynamics exhibited by the neutral gas in the reactor. This research finds that the neutral gas temperature strongly depends on the rate at which inelastic, electron-impact dissociation reactions occur and on atomic chlorine wall recombination rates. Additionally, the neutral gas Aow in the reactor includes a significant mass flux of etch product from the wafer surface. Resolution of these effects is useful for neutral gas simulation. Finally, this thesis demonstrates that continuum fluid models provide reasonable accuracy for these low pressure reactor flows due to the fact

  17. Plasma Relaxation Dynamics Moderated by Current Sheets

    Science.gov (United States)

    Dewar, Robert; Bhattacharjee, Amitava; Yoshida, Zensho

    2014-10-01

    Ideal magnetohydrodynamics (IMHD) is strongly constrained by an infinite number of microscopic constraints expressing mass, entropy and magnetic flux conservation in each infinitesimal fluid element, the latter preventing magnetic reconnection. By contrast, in the Taylor-relaxed equilibrium model all these constraints are relaxed save for global magnetic flux and helicity. A Lagrangian is presented that leads to a new variational formulation of magnetized fluid dynamics, relaxed MHD (RxMHD), all static solutions of which are Taylor equilibrium states. By postulating that some long-lived macroscopic current sheets can act as barriers to relaxation, separating the plasma into multiple relaxation regions, a further generalization, multi-relaxed MHD (MRxMHD), is developed. These concepts are illustrated using a simple two-region slab model similar to that proposed by Hahm and Kulsrud--the formation of an initial shielding current sheet after perturbation by boundary rippling is calculated using MRxMHD and the final island state, after the current sheet has relaxed through a reconnection sequence, is calculated using RxMHD. Australian Research Council Grant DP110102881.

  18. Dynamic CT of tuberculous meningeal reactions

    Energy Technology Data Exchange (ETDEWEB)

    Jinkins, J.R.

    1987-07-01

    The technique of intravenous dynamic cranial computed tomography has been applied to the patient population at this location in Saudi Arabia with meningeal tuberculosis. The various manifestations and sequelae including meningitis, arteritis, infarct, and true meningeal tuberculomata all have characteristic if not specific appearances. The dynamic study enhances an otherwise static examination and reveals a great deal about the pathophysiology of tuberculosis involving the cerebral meningeal surfaces.

  19. Electromagnetic Reactions and Few-Nucleon Dynamics

    CERN Document Server

    Bacca, Sonia

    2013-01-01

    We present an update on recent theoretical studies of electromagnetic reactions obtained by using the Lorentz integral transform method. The 4He nucleus will be the main focus of this report: results for the photo-disintegration and the electro-disintegration processes will be shown, as well as a recent calculation of polarizability effects in muonic atoms. We also discuss the exciting possibility to investigate inelastic reactions for medium-mass nuclei in coupled-cluster theory, highlighted by the recent application to the 16O photo-nuclear cross section.

  20. Plasma Processes : Arc root dynamics in high power plasma torches – Evidence of chaotic behavior

    Indian Academy of Sciences (India)

    A K Das

    2000-11-01

    Although plasma torches have been commercially available for about 50 years, areas such as plasma gun design, process efficiency, reproducibility, plasma stability, torch lives etc. have remained mostly unattended. Recent torch developments have been focusing on the basic understanding of the plasma column and its dynamics inside the plasma torch, the interaction of plasma jet and the powders, the interaction of the plasma jet with surroundings and the impingement of the jet on the substrate. Two of the major causes of erratic and poor performance of a variety of thermal plasma processes are currently identified as the fluctuations arising out of the arc root movement on the electrodes inside the plasma torch and the fluid dynamic instabilities arising out of entrainment of the air into the plasma jet. This paper reviews the current state of understanding of these fluctuations as well as the dynamics of arc root movement in plasma torches. The work done at the author’s laboratory on studying the fluctuations in arc voltage, arc current, acoustic emissions and optical emissions are also presented. These fluctuations are observed to be chaotic and interrelated. Real time monitoring and controlling the arc instabilities through chaos characterization parameters can greatly contribute to the understanding of electrode erosion as well as improvement of plasma torch lifetime.

  1. Ion dynamics in plasma compensation scheme

    Energy Technology Data Exchange (ETDEWEB)

    Timofeev, I.V.; Lotov, K.V. E-mail: lotov@inp.nsk.su

    2002-06-11

    In this paper the ability of a plasma to compensate beam-induced fields at the interaction point of muon colliders is discussed. Among numerous factors that limit beam and plasma parameters for which a given compensation degree can be achieved, one of the most important limitations (the motion of plasma ions) is analyzed in details. It is found that this limitation is determined by an instability of the relative motion of plasma electrons and ions. It is shown that discussed parameters of ultimate muon colliders fall outside the applicability area of plasma compensation.

  2. Determining Equilibrium Constants for Dimerization Reactions from Molecular Dynamics Simulations

    NARCIS (Netherlands)

    De Jong, Djurre H.; Schafer, Lars V.; De Vries, Alex H.; Marrink, Siewert J.; Berendsen, Herman J. C.; Grubmueller, Helmut

    2011-01-01

    With today's available computer power, free energy calculations from equilibrium molecular dynamics simulations "via counting" become feasible for an increasing number of reactions. An example is the dimerization reaction of transmembrane alpha-helices. If an extended simulation of the two helices c

  3. Effects of auroral potential drops on plasma sheet dynamics

    Science.gov (United States)

    Xi, Sheng; Lotko, William; Zhang, Binzheng; Wiltberger, Michael; Lyon, John

    2016-11-01

    The reaction of the magnetosphere-ionosphere system to dynamic auroral potential drops is investigated using the Lyon-Fedder-Mobarry global model including, for the first time in a global simulation, the dissipative load of field-aligned potential drops in the low-altitude boundary condition. This extra load reduces the field-aligned current (j||) supplied by nightside reconnection dynamos. The system adapts by forcing the nightside X line closer to Earth, with a corresponding reduction in current lensing (j||/B = constant) at the ionosphere and additional contraction of the plasma sheet during substorm recovery and steady magnetospheric convection. For steady and moderate solar wind driving and with constant ionospheric conductance, the cross polar cap potential and hemispheric field-aligned current are lower by approximately the ratio of the peak field-aligned potential drop to the cross polar cap potential (10-15%) when potential drops are included. Hemispheric ionospheric Joule dissipation is less by 8%, while the area-integrated, average work done on the fluid by the reconnecting magnetotail field increases by 50% within |y| < 8 RE. Effects on the nightside plasma sheet include (1) an average X line 4 RE closer to Earth; (2) a 12% higher mean reconnection rate; and (3) dawn-dusk asymmetry in reconnection with a 17% higher rate in the premidnight sector.

  4. Programming the dynamics of biochemical reaction networks.

    Science.gov (United States)

    Simmel, Friedrich C

    2013-01-22

    The development of complex self-organizing molecular systems for future nanotechnology requires not only robust formation of molecular structures by self-assembly but also precise control over their temporal dynamics. As an exquisite example of such control, in this issue of ACS Nano, Fujii and Rondelez demonstrate a particularly compact realization of a molecular "predator-prey" ecosystem consisting of only three DNA species and three enzymes. The system displays pronounced oscillatory dynamics, in good agreement with the predictions of a simple theoretical model. Moreover, its considerable modularity also allows for ecological studies of competition and cooperation within molecular networks.

  5. NATO Advanced Study Institute on Advances in Chemical Reaction Dynamics

    CERN Document Server

    Capellos, Christos

    1986-01-01

    This book contains the formal lectures and contributed papers presented at the NATO Advanced Study Institute on. the Advances in Chemical Reaction Dynamics. The meeting convened at the city of Iraklion, Crete, Greece on 25 August 1985 and continued to 7 September 1985. The material presented describes the fundamental and recent advances in experimental and theoretical aspects of, reaction dynamics. A large section is devoted to electronically excited states, ionic species, and free radicals, relevant to chemical sys­ tems. In addition recent advances in gas phase polymerization, formation of clusters, and energy release processes in energetic materials were presented. Selected papers deal with topics such as the dynamics of electric field effects in low polar solutions, high electric field perturbations and relaxation of dipole equilibria, correlation in picosecond/laser pulse scattering, and applications to fast reaction dynamics. Picosecond transient Raman spectroscopy which has been used for the elucidati...

  6. Electron temperature dynamics of TEXTOR plasmas

    NARCIS (Netherlands)

    Udintsev, Victor Sergeevich

    2003-01-01

    To study plasma properties in the presence of large and small MHD modes, new high-resolution ECE diagnostics have been installed at TEXTOR tokamak, and some of the already existing systems have been upgraded. Two models for the plasma transport properties inside large m/n = 2/1 MHD islands have been

  7. Transverse flow reactor studies of the dynamics of radical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Macdonald, R.G. [Argonne National Laboratory, IL (United States)

    1993-12-01

    Radical reactions are in important in combustion chemistry; however, little state-specific information is available for these reactions. A new apparatus has been constructed to measure the dynamics of radical reactions. The unique feature of this apparatus is a transverse flow reactor in which an atom or radical of known concentration will be produced by pulsed laser photolysis of an appropriate precursor molecule. The time dependence of individual quantum states or products and/or reactants will be followed by rapid infrared laser absorption spectroscopy. The reaction H + O{sub 2} {yields} OH + O will be studied.

  8. Analysis of Brownian Dynamics Simulations of Reversible Bimolecular Reactions

    KAUST Repository

    Lipková, Jana

    2011-01-01

    A class of Brownian dynamics algorithms for stochastic reaction-diffusion models which include reversible bimolecular reactions is presented and analyzed. The method is a generalization of the λ-bcȳ model for irreversible bimolecular reactions which was introduced in [R. Erban and S. J. Chapman, Phys. Biol., 6(2009), 046001]. The formulae relating the experimentally measurable quantities (reaction rate constants and diffusion constants) with the algorithm parameters are derived. The probability of geminate recombination is also investigated. © 2011 Society for Industrial and Applied Mathematics.

  9. Bayesian inversion analysis of nonlinear dynamics in surface heterogeneous reactions.

    Science.gov (United States)

    Omori, Toshiaki; Kuwatani, Tatsu; Okamoto, Atsushi; Hukushima, Koji

    2016-09-01

    It is essential to extract nonlinear dynamics from time-series data as an inverse problem in natural sciences. We propose a Bayesian statistical framework for extracting nonlinear dynamics of surface heterogeneous reactions from sparse and noisy observable data. Surface heterogeneous reactions are chemical reactions with conjugation of multiple phases, and they have the intrinsic nonlinearity of their dynamics caused by the effect of surface-area between different phases. We adapt a belief propagation method and an expectation-maximization (EM) algorithm to partial observation problem, in order to simultaneously estimate the time course of hidden variables and the kinetic parameters underlying dynamics. The proposed belief propagation method is performed by using sequential Monte Carlo algorithm in order to estimate nonlinear dynamical system. Using our proposed method, we show that the rate constants of dissolution and precipitation reactions, which are typical examples of surface heterogeneous reactions, as well as the temporal changes of solid reactants and products, were successfully estimated only from the observable temporal changes in the concentration of the dissolved intermediate product.

  10. Plasma dynamics of a laser filamentation-guided spark

    CERN Document Server

    Point, Guillaume; Carbonnel, Jérôme; Mysyrowicz, André; Houard, Aurélien

    2016-01-01

    We investigate experimentally the plasma dynamics of a centimeter-scale, laser filamentation-guided spark discharge. Using electrical and optical diagnostics to study monopolar discharges with varying current pulses we show that plasma decay is dominated by free electron recombination if the current decay time is shorter than the recombination characteristic time. In the opposite case, the plasma electron density closely follows the current evolution. We demonstrate that this criterion holds true in the case of damped AC sparks, and that alternative current is the best option to achieve a long plasma lifetime for a given peak current.

  11. Beltrami States for Plasma Dynamics Models

    OpenAIRE

    Shivamoggi, B. K.

    2007-01-01

    The various plasma models - incompressible magnetohydrodynamic (MHD) model, compressible MHD model, incompressible Hall MHD model, compressible Hall MHD model, electron MHD model, compressible Hall MHD with electron inertia model - notwithstanding the diversity of the underlying physics, are shown to exhibit some common features in the Beltrami states like certain robustness with respect to the plasma compressibility effects (albeit in the barotropy assumption) and the {\\it Bernoulli} conditi...

  12. Surface Characterization of Plasma-modified Poplar Veneer: Dynamic Wettability

    Directory of Open Access Journals (Sweden)

    Lijuan Tang

    2014-11-01

    Full Text Available The dynamic wettability of plasma-modified poplar veneer was investigated with sessile adhesive droplets using a wetting model. Dynamic contact angle, instantaneous and equilibrium contact angles, and their rates of change (K-value were used to illustrate the dynamic wetting process. The experiment consisted of selecting treatment parameters (type of gas, power that would lead to the increased wettability of wood. Three resin systems, urea-formaldehyde (UF, phenol-formaldehyde (PF, and diphenylmethylene diisocyanate (MDI, were evaluated. Based on the wetting model, the K-value was used to interpret the kinetics of wetting. The higher the K-value, the faster the contact angle reaches equilibrium, and the faster the liquid penetrates and spreads. Therefore, the model was helpful for characterizing the dynamic wettability of wood surfaces modified with different plasma treatments. The K-values of plasma-treated veneer surfaces at different plasma power levels and with different gases (such as O2, N2, Ar, air, and NH3 were 458% to 653% and 332% to 528% higher than those of untreated veneer surfaces, respectively. In addition, the K-values of the three resins on the oxygen plasma-treated veneer surfaces were 38% to 1204% higher than those on the untreated veneer surfaces. Therefore, this method was helpful for characterizing the dynamic wettability of veneer surfaces modified with plasma treatment.

  13. Single-molecule chemical reaction reveals molecular reaction kinetics and dynamics.

    Science.gov (United States)

    Zhang, Yuwei; Song, Ping; Fu, Qiang; Ruan, Mingbo; Xu, Weilin

    2014-06-25

    Understanding the microscopic elementary process of chemical reactions, especially in condensed phase, is highly desirable for improvement of efficiencies in industrial chemical processes. Here we show an approach to gaining new insights into elementary reactions in condensed phase by combining quantum chemical calculations with a single-molecule analysis. Elementary chemical reactions in liquid-phase, revealed from quantum chemical calculations, are studied by tracking the fluorescence of single dye molecules undergoing a reversible redox process. Statistical analyses of single-molecule trajectories reveal molecular reaction kinetics and dynamics of elementary reactions. The reactivity dynamic fluctuations of single molecules are evidenced and probably arise from either or both of the low-frequency approach of the molecule to the internal surface of the SiO2 nanosphere or the molecule diffusion-induced memory effect. This new approach could be applied to other chemical reactions in liquid phase to gain more insight into their molecular reaction kinetics and the dynamics of elementary steps.

  14. Quantum Dynamics of Radical-Ion-Pair Reactions

    OpenAIRE

    Kominis, I. K.

    2010-01-01

    Radical-ion-pair reactions were recently shown to represent a rich biophysical laboratory for the application of quantum measurement theory methods and concepts, casting doubt on the validity of the theoretical treatment of these reactions and the results thereof that has been at the core of spin chemistry for several decades now. The ensued scientific debate, although exciting, is plagued with several misconceptions. We will here provide a comprehensive treatment of the quantum dynamics of r...

  15. Radiative damping and electron beam dynamics in plasma-based accelerators.

    Science.gov (United States)

    Michel, P; Schroeder, C B; Shadwick, B A; Esarey, E; Leemans, W P

    2006-08-01

    The effects of radiation reaction on electron beam dynamics are studied in the context of plasma-based accelerators. Electrons accelerated in a plasma channel undergo transverse betatron oscillations due to strong focusing forces. These oscillations lead to emission by the electrons of synchrotron radiation, with a corresponding energy loss that affects the beam properties. An analytical model for the single particle orbits and beam moments including the classical radiation reaction force is derived and compared to the results of a particle transport code. Since the betatron amplitude depends on the initial transverse position of the electron, the resulting radiation can increase the relative energy spread of the beam to significant levels (e.g., several percent). This effect can be diminished by matching the beam into the channel, which could require micron sized beam radii for typical values of the beam emittance and plasma density.

  16. Radiative damping and electron beam dynamics in plasma-based accelerators

    Science.gov (United States)

    Michel, P.; Schroeder, C. B.; Shadwick, B. A.; Esarey, E.; Leemans, W. P.

    2006-08-01

    The effects of radiation reaction on electron beam dynamics are studied in the context of plasma-based accelerators. Electrons accelerated in a plasma channel undergo transverse betatron oscillations due to strong focusing forces. These oscillations lead to emission by the electrons of synchrotron radiation, with a corresponding energy loss that affects the beam properties. An analytical model for the single particle orbits and beam moments including the classical radiation reaction force is derived and compared to the results of a particle transport code. Since the betatron amplitude depends on the initial transverse position of the electron, the resulting radiation can increase the relative energy spread of the beam to significant levels (e.g., several percent). This effect can be diminished by matching the beam into the channel, which could require micron sized beam radii for typical values of the beam emittance and plasma density.

  17. Dynamical dipole mode in heavy-ion fusion reactions

    Energy Technology Data Exchange (ETDEWEB)

    Parascandolo, C., E-mail: concetta.parascandolo@na.infn.i [Universita degli Studi di Napoli ' Federico II' and INFN, Sezione di Napoli, via Cintia, I-80126 Napoli (Italy); Pierroutsakou, D. [INFN - Sezione di Napoli, via Cintia, I-80126 Napoli (Italy); Martin, B. [Universita degli Studi di Napoli ' Federico II' and INFN, Sezione di Napoli, via Cintia, I-80126 Napoli (Italy); Agodi, C.; Alba, R. [INFN - LNS, via Santa Sofia 62, I-95125 Catania (Italy); Boiano, A. [INFN - Sezione di Napoli, via Cintia, I-80126 Napoli (Italy); Coniglione, R. [INFN - LNS, via Santa Sofia 62, I-95125 Catania (Italy); De Filippo, E. [INFN - Sezione di Catania, 95123, Catania (Italy); Del Zoppo, A. [INFN - LNS, via Santa Sofia 62, I-95125 Catania (Italy); Emanuele, U. [INFN, Gruppo Collegato di Messina and Dip. di Fisica, Universita di Messina, Messina (Italy); Farinon, F. [GSI, Planckstrasse 1, D-64291, Darmstadt (Germany); Guglielmetti, A. [Universita degli Studi di Milano and INFN, Sezione di Milano, via Celoria 16, I-20133 Milano (Italy); Inglima, G.; La Commara, M. [Universita degli Studi di Napoli ' Federico II' and INFN, Sezione di Napoli, via Cintia, I-80126 Napoli (Italy); Maiolino, C. [INFN - LNS, via Santa Sofia 62, I-95125 Catania (Italy); Mazzocchi, C. [Universita degli Studi di Milano and INFN, Sezione di Milano, via Celoria 16, I-20133 Milano (Italy); Mazzocco, M. [Dip. di Fisica and INFN, Universita di Padova, via F. Marzolo 8, I-35131 Padova (Italy); Romoli, M. [INFN - Sezione di Napoli, via Cintia, I-80126 Napoli (Italy); Sandoli, M. [Universita degli Studi di Napoli ' Federico II' and INFN, Sezione di Napoli, via Cintia, I-80126 Napoli (Italy); Santonocito, D. [INFN - LNS, via Santa Sofia 62, I-95125 Catania (Italy)

    2010-03-01

    The dynamical dipole mode, excited in charge asymmetric heavy-ion collisions, was investigated in the mass region of the {sup 192}Pb compound nucleus, formed by using the {sup 40,48}Ca + {sup 152,144}Sm reactions at approx11 MeV/nucleon. Preliminary results of this measurement, concerning both fusion-evaporation and fission events are presented. As a fast cooling mechanism on the fusion path, the dynamical dipole mode could be useful for the synthesis of super heavy elements through 'hot' fusion reactions.

  18. Dynamics of the plasma current sheath in plasma focus discharges in different gases

    Energy Technology Data Exchange (ETDEWEB)

    Vinogradov, V. P.; Krauz, V. I., E-mail: krauz-vi@nrcki.ru [National Research Center Kurchatov Institute (Russian Federation); Mokeev, A. N. [Project Center ITER (Russian Federation); Myalton, V. V.; Kharrasov, A. M. [National Research Center Kurchatov Institute (Russian Federation)

    2016-12-15

    The shape of the plasma current sheath (PCS) in the final stage of its radial compression, the dynamics of pinching, and the subsequent pinch decay in plasma focus (PF) discharges in different gases are studied using an improved multichannel system of electron-optical plasma photography and a newly elaborated synchronization system. The PCS structure in discharges in heavy gases (Ne, Ar) is found to differ significantly from that in discharges in hydrogen and deuterium. The influence of a heavy gas (Xe) additive to hydrogen and deuterium on the structure and compression dynamics of the PCS is investigated.

  19. Dynamics of synchrotron VUV-induced intracluster reactions

    Energy Technology Data Exchange (ETDEWEB)

    Grover, J.R. [Brookhaven National Laboratory, Upton, NY (United States)

    1993-12-01

    Photoionization mass spectrometry (PIMS) using the tunable vacuum ultraviolet radiation available at the National Synchrotron Light Source is being exploited to study photoionization-induced reactions in small van der Waals mixed complexes. The information gained includes the observation and classification of reaction paths, the measurement of onsets, and the determination of relative yields of competing reactions. Additional information is obtained by comparison of the properties of different reacting systems. Special attention is given to finding unexpected features, and most of the reactions investigated to date display such features. However, understanding these reactions demands dynamical information, in addition to what is provided by PIMS. Therefore the program has been expanded to include the measurement of kinetic energy release distributions.

  20. The hunt for the dynamical resonances in chemical reaction dynamics: a perspective on historical advances

    Directory of Open Access Journals (Sweden)

    Yu Angyang

    2015-06-01

    Full Text Available The theoretical background and basic definition of the resonances in chemical reaction dynamics have been introduced in this article. The historical breakthrough in the experimental search for the reaction resonances has been reviewed in this report, with an emphasis on the crossed molecular beam apparatus. The research of the chemical reaction resonances has attracted many scientists’ attention from 80s of last century. The chemical reaction resonances in the F+H2 reaction were firstly observed by the researchers of the Chinese Academy of Sciences in 2006. Besides, the partial wave resonances in the chemical reactions have been observed for the first time in 2010.

  1. Comparing transfusion reaction rates for various plasma types: a systematic review and meta-analysis/regression.

    Science.gov (United States)

    Saadah, Nicholas H; van Hout, Fabienne M A; Schipperus, Martin R; le Cessie, Saskia; Middelburg, Rutger A; Wiersum-Osselton, Johanna C; van der Bom, Johanna G

    2017-09-01

    We estimated rates for common plasma-associated transfusion reactions and compared reported rates for various plasma types. We performed a systematic review and meta-analysis of peer-reviewed articles that reported plasma transfusion reaction rates. Random-effects pooled rates were calculated and compared between plasma types. Meta-regression was used to compare various plasma types with regard to their reported plasma transfusion reaction rates. Forty-eight studies reported transfusion reaction rates for fresh-frozen plasma (FFP; mixed-sex and male-only), amotosalen INTERCEPT FFP, methylene blue-treated FFP, and solvent/detergent-treated pooled plasma. Random-effects pooled average rates for FFP were: allergic reactions, 92/10(5) units transfused (95% confidence interval [CI], 46-184/10(5) units transfused); febrile nonhemolytic transfusion reactions (FNHTRs), 12/10(5) units transfused (95% CI, 7-22/10(5) units transfused); transfusion-associated circulatory overload (TACO), 6/10(5) units transfused (95% CI, 1-30/10(5) units transfused); transfusion-related acute lung injury (TRALI), 1.8/10(5) units transfused (95% CI, 1.2-2.7/10(5) units transfused); and anaphylactic reactions, 0.8/10(5) units transfused (95% CI, 0-45.7/10(5) units transfused). Risk differences between plasma types were not significant for allergic reactions, TACO, or anaphylactic reactions. Methylene blue-treated FFP led to fewer FNHTRs than FFP (risk difference = -15.3 FNHTRs/10(5) units transfused; 95% CI, -24.7 to -7.1 reactions/10(5) units transfused); and male-only FFP led to fewer cases of TRALI than mixed-sex FFP (risk difference = -0.74 TRALI/10(5) units transfused; 95% CI, -2.42 to -0.42 injuries/10(5) units transfused). Meta-regression demonstrates that the rate of FNHTRs is lower for methylene blue-treated compared with FFP, and the rate of TRALI is lower for male-only than for mixed-sex FFP; whereas no significant differences are observed between plasma types for allergic

  2. Reaction Profiles and Molecular Dynamics Simulations of Cyanide Radical Reactions Relevant to Titan's Atmosphere

    Science.gov (United States)

    Trinidad Pérez-Rivera, Danilo; Romani, Paul N.; Lopez-Encarnacion, Juan Manuel

    2016-10-01

    Titan's atmosphere is arguably the atmosphere of greatest interest that we have an abundance of data for from both ground based and spacecraft observations. As we have learned more about Titan's atmospheric composition, the presence of pre-biotic molecules in its atmosphere has generated more and more fascination about the photochemical process and pathways it its atmosphere. Our computational laboratory has been extensively working throughout the past year characterizing nitrile synthesis reactions, making significant progress on the energetics and dynamics of the reactions of .CN with the hydrocarbons acetylene (C2H2), propylene (CH3CCH), and benzene (C6H6), developing a clear picture of the mechanistic aspects through which these three reactions proceed. Specifically, first principles calculations of the reaction profiles and molecular dynamics studies for gas-phase reactions of .CN and C2H2, .CN and CH3CCH, and .CN and C6H6 have been carried out. A very accurate determination of potential energy surfaces of these reactions will allow us to compute the reaction rates which are indispensable for photochemical modeling of Titan's atmosphere.The work at University of Puerto Rico at Cayey was supported by Puerto Rico NASA EPSCoR IDEAS-ER program (2015-2016) and DTPR was sponsored by the Puerto Rico NASA Space Grant Consortium Fellowship. *E-mail: juan.lopez15@upr.edu

  3. The dynamics of contract plasma fractionation.

    Science.gov (United States)

    Farrugia, Albert; Scaramuccia, Daniela

    2017-03-01

    Plasma Derived Medicinal Products (PMDPs) are an essential component of the modern therapeutic armamentarium. They are differentiated from most other medicines in several ways, particularly the unique nature of the raw material used for their manufacture. Human plasma has been fractionated to PDMPs for the past 75 years, and the economics of manufacturing requires currently that as many products are harvested from each litre as is feasible and reflective of clinical needs. PDMPs may be purchased on the open market from the various commercial and not-for-profit (NFP) manufacturers. They may also be manufactured under contract (CM) from plasma supplied by government and similar agencies as a product of blood transfusion services. Clients for CM aspire to make full use of donated plasma, hence maximizing the donors' gift after the standard components of transfusion have been harvested. Many such countries also aspire to making their national clinical needs self-sufficient in PDMPs, attempting to acquire strategic independence from the vagaries of the commercial open market. The increasing commercial imperatives operating in the PMDP sector generate a tension with such ethical aspirations which are not easily resolved. In particular, the need to harvest as many proteins as possible may generate products which are surplus to national needs, necessitating an ethical paradigm for the optimal provision of such products. In addition, traditional relationships between blood services and domestic fractionation agencies may come under stress as a result of the competitive processes underpinning such transactions, which are now subject to international norms of free trade. Blood services engaged in the supply of hospital transfusion components are detached from the pharmaceutical Good Manufacturing Practices (GMP) culture needed for the production of plasma for CM, while the generation of such plasma through extraction from whole blood donations deflects the focus from that of

  4. Coriolis coupling and nonadiabaticity in chemical reaction dynamics.

    Science.gov (United States)

    Wu, Emilia L

    2010-12-01

    The nonadiabatic quantum dynamics and Coriolis coupling effect in chemical reaction have been reviewed, with emphasis on recent progress in using the time-dependent wave packet approach to study the Coriolis coupling and nonadiabatic effects, which was done by K. L. Han and his group. Several typical chemical reactions, for example, H+D(2), F+H(2)/D(2)/HD, D(+)+H(2), O+H(2), and He+H(2)(+), have been discussed. One can find that there is a significant role of Coriolis coupling in reaction dynamics for the ion-molecule collisions of D(+)+H(2), Ne+H(2)(+), and He+H(2)(+) in both adiabatic and nonadiabatic context.

  5. Potential energy surfaces and reaction dynamics of polyatomic molecules

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Yan-Tyng.

    1991-11-01

    A simple empirical valence bond (EVB) model approach is suggested for constructing global potential energy surfaces for reactions of polyatomic molecular systems. This approach produces smooth and continuous potential surfaces which can be directly utilized in a dynamical study. Two types of reactions are of special interest, the unimolecular dissociation and the unimolecular isomerization. For the first type, the molecular dissociation dynamics of formaldehyde on the ground electronic surface is investigated through classical trajectory calculations on EVB surfaces. The product state distributions and vector correlations obtained from this study suggest very similar behaviors seen in the experiments. The intramolecular hydrogen atom transfer in the formic acid dimer is an example of the isomerization reaction. High level ab initio quantum chemistry calculations are performed to obtain optimized equilibrium and transition state dimer geometries and also the harmonic frequencies.

  6. RPMDrate: Bimolecular chemical reaction rates from ring polymer molecular dynamics

    KAUST Repository

    Suleimanov, Yu.V.

    2013-03-01

    We present RPMDrate, a computer program for the calculation of gas phase bimolecular reaction rate coefficients using the ring polymer molecular dynamics (RPMD) method. The RPMD rate coefficient is calculated using the Bennett-Chandler method as a product of a static (centroid density quantum transition state theory (QTST) rate) and a dynamic (ring polymer transmission coefficient) factor. The computational procedure is general and can be used to treat bimolecular polyatomic reactions of any complexity in their full dimensionality. The program has been tested for the H+H2, H+CH 4, OH+CH4 and H+C2H6 reactions. © 2012 Elsevier B.V. All rights reserved.

  7. Lie group analysis for multi-scale plasma dynamics

    CERN Document Server

    Kovalev, Vladimir F

    2011-01-01

    An application of approximate transformation groups to study dynamics of a system with distinct time scales is discussed. The utilization of the Krylov-Bogoliubov-Mitropolsky method of averaging to find solutions of the Lie equations is considered. Physical illustrations from the plasma kinetic theory demonstrate the potentialities of the suggested approach. Several examples of invariant solutions for the system of the Vlasov-Maxwell equations for the two-component (electron-ion) plasma are presented.

  8. Geospace Plasma Dynamics Laboratory Annual Task Report (FY11)

    Science.gov (United States)

    2012-03-01

    and the other stability properties of the ion-cyclotron instability in various non - Maxwellian plasmas . For this purpose, analysis of the kinetic... Plasma Dynamics.” The goal of this research effort is to develop a detailed knowledge of the space environment by analyzing satellite data and...Furthermore, satellite-measured particle velocity distributions in the magnetosphere are often better modeled by non - Maxwellian distributions, such as

  9. Dynamics of anion-molecule reactions at low energy

    Energy Technology Data Exchange (ETDEWEB)

    Mikosch, J.

    2007-11-15

    Anion-molecule reactions must find their way through deeply bound entrance and exit channel complexes separated by a central barrier. This results in low reaction rates and rich dynamics since direct pathways compete with the formation of transient intermediates. In this thesis we examine the probability of proton transfer to a small anion and transient lifetimes of a thermoneutral bimolecular nucleophilic substitution (S{sub N}2) reaction at well defined variable temperature down to 8 Kelvin in a multipole trap. The observed strong inverse temperature dependence is attributed to the deficit of available quantum states in the entrance channel at decreasing temperature. Furthermore we investigate scattering dynamics of S{sub N}2 reactions at defined relative energy between 0.4 and 10 eV by crossed beam slice imaging. A weakly exothermic reaction with high central barrier proceeds via an indirect, complex-mediated mechanism at low relative energies featuring high internal product excitation in excellent quantitative agreement with a statistical model. In contrast, direct backward scattering prevails for higher energies with product velocities close to the kinematical cutoff. For a strongly exothermic reaction, competing S{sub N}2-, dihalide- and proton transfer-channels are explored which proceed by complex mediation for low energy and various rebound-, grazing- and collision induced bond rupture-mechanisms at higher energy. From our data and a collaboration with theory we identify a new indirect roundabout S{sub N}2 mechanism involving CH{sub 3}-rotation. (orig.)

  10. Plasma and cavitation dynamics during pulsed laser microsurgery in vivo

    CERN Document Server

    Hutson, M Shane

    2007-01-01

    We compare the plasma and cavitation dynamics underlying pulsed laser microsurgery in water and in fruit fly embryos (in vivo) - specifically for nanosecond pulses at 355 and 532 nm. We find two key differences. First, the plasma-formation thresholds are lower in vivo - especially at 355 nm - due to the presence of endogenous chromophores that serve as additional sources for plasma seed electrons. Second, the biological matrix constrains the growth of laser-induced cavitation bubbles. Both effects reduce the disrupted region in vivo when compared to extrapolations from measurements in water.

  11. Plasma acceleration and cooling by strong laser field due to the action of radiation reaction force.

    Science.gov (United States)

    Berezhiani, V I; Mahajan, S M; Yoshida, Z

    2008-12-01

    It is shown that for super intense laser pulses propagating in a hot plasma, the action of the radiation reaction force (appropriately incorporated into the equations of motion) causes strong bulk plasma motion with the kinetic energy raised even to relativistic values; the increase in bulk energy is accompanied by a corresponding cooling (intense cooling) of the plasma. The effects are demonstrated through explicit analytical calculations.

  12. New aspects of plasma sheet dynamics - MHD and kinetic theory

    Directory of Open Access Journals (Sweden)

    H. Wiechen

    Full Text Available Magnetic reconnection is a process of fundamental importance for the dynamics of the Earth's plasma sheet. In this context, the development of thin current sheets in the near-Earth plasma sheet is a topic of special interest because they could be a possible cause of microscopic fluctuations acting as collective non-idealness from a macroscopic point of view. Simulations of the near-Earth plasma sheet including boundary perturbations due to localized inflow through the northern (or southern plasma sheet boundary show developing thin current sheets in the near-Earth plasma sheet about 810 RE tailwards of the Earth. This location is largely independent from the localization of the perturbation. The second part of the paper deals with the problem of the macroscopic non-ideal consequences of microscopic fluctuations. A new model is presented that allows the quantitative calculation of macroscopic non-idealness without considering details of microscopic instabilities or turbulence. This model is only based on the assumption of a strongly fluctuating, mixing dynamics on microscopic scales in phase space. The result of this approach is an expression for anomalous non-idealness formally similar to the Krook resistivity but now describing the macroscopic consequences of collective microscopic fluctuations, not of collisions.

    Key words. Magnetospheric physics (plasma sheet · Space plasma physics (kinetic and MHD theory; magnetic reconnection

  13. Quantum Dynamics of Radical-Ion-Pair Reactions

    CERN Document Server

    Kominis, I K

    2010-01-01

    Radical-ion-pair reactions were recently shown to represent a rich biophysical laboratory for the application of quantum measurement theory methods and concepts, casting doubt on the validity of the theoretical treatment of these reactions and the results thereof that has been at the core of spin chemistry for several decades now. The ensued scientific debate, although exciting, is plagued with several misconceptions. We will here provide a comprehensive treatment of the quantum dynamics of radical-ion-pair reactions, generalizing our recent work and elaborating on the analogy with the double-slit experiment having partial "which-path" information. This analogy directly leads to the general treatment of radical-ion pair reactions covering the whole range between the two extremes, that of perfect singlet-triplet coherence and that of complete incoherence.

  14. Roaming dynamics in ion-molecule reactions: phase space reaction pathways and geometrical interpretation

    CERN Document Server

    Mauguière, F A L; Ezra, G S; Farantos, S C; Wiggins, S

    2014-01-01

    A model Hamiltonian for the reaction CH$_4^+ \\rightarrow$ CH$_3^+$ + H, parametrized to exhibit either early or late inner transition states, is employed to investigate the dynamical characteristics of the roaming mechanism. Tight/loose transition states and conventional/roaming reaction pathways are identified in terms of time-invariant objects in phase space. These are dividing surfaces associated with normally hyperbolic invariant manifolds (NHIMs). For systems with two degrees of freedom NHIMS are unstable periodic orbits which, in conjunction with their stable and unstable manifolds, unambiguously define the (locally) non-recrossing dividing surfaces assumed in statistical theories of reaction rates. By constructing periodic orbit continuation/bifurcation diagrams for two values of the potential function parameter corresponding to late and early transition states, respectively, and using the total energy as another parameter, we dynamically assign different regions of phase space to reactants and product...

  15. Oxygenation mechanism of ions in dynamic reaction cell ICP-MS.

    Science.gov (United States)

    Narukawa, Tomohiro; Chiba, Koichi

    2013-01-01

    A dynamic reaction cell (DRC) is one of the most effective tools for eliminating spectral interferences caused by polyatomic molecules in inductively coupled plasma mass spectrometry (ICP-MS). Oxygen gas (O2), by producing oxygenated ions, is very effective in reducing some specific spectral interferences. In this study, the oxygenation of elemental ions (M(+)) in the DRC was investigated experimentally, and a new explanation for oxygenation based on the enthalpy changes in the oxygenating reactions is proposed. The enthalpy changes of each M(+) were calculated and the possibility of each reaction occurring was evaluated. The calculations were in good agreement with experimental observations. Theoretical and experimental results supported the hypothesis that the enthalpy changes (ΔH) of M(+)+ O2 → MO(+) + O and M(+) + O → MO(+) and the thermodynamic stability of M(+)-O are key factors controlling oxygenation of M(+) in the DRC.

  16. Quantum dynamics of the abstraction reaction of H with cyclopropane.

    Science.gov (United States)

    Shan, Xiao; Clary, David C

    2014-10-30

    The dynamics of the abstraction reaction of H atoms with the cyclopropane molecule is studied using quantum mechanical scattering theory. The quantum scattering calculations are performed in hyperspherical coordinates with a two-dimensional (2D) potential energy surface. The ab initio energy calculations are carried out with CCSD(T)-F12a/cc-pVTZ-F12 level of theory with the geometry and frequency calculations at the MP2/cc-pVTZ level. The contribution to the potential energy surface from the spectator modes is included as the projected zero-point energy correction to the ab initio energy. The 2D surface is fitted with a 29-parameter double Morse potential. An R-matrix propagation scheme is carried out to solve the close-coupled equations. The adiabatic energy barrier and reaction enthalpy are compared with high level computational calculations as well as experimental data. The calculated reaction rate constants shows very good agreement when compared with the experimental data, especially at lower temperature highlighting the importance of quantum tunnelling. The reaction probabilities are also presented and discussed. The special features of performing quantum dynamics calculation on the chemical reaction of a cyclic molecule are discussed.

  17. Nuclear Reaction Rates in a Plasma The Effect of Highly Damped Modes

    CERN Document Server

    Opher, M; Opher, Merav; Opher, Reuven

    2000-01-01

    The fluctuation-dissipation theorem is used to evaluate the screening factor of nuclear reactions due to the electromagnetic fluctuations in a plasma. We show that the commonly used Saltpeter factor is obtained if only fluctuations near the plasma eigenfrequency are assumed to be important (\\omega \\sim \\omega_{pe}\\ll T (\\hbar=k_{B}=1)). By taking into account all the fluctuations, the highly damped ones, with \\omega >\\omega_{pe}, as well as those with \\omega\\leq\\omega_{pe}, we find that nuclear reaction rates are higher than those obtained using the Saltpeter factor, for many interesting plasmas.

  18. Investigation of Plasmas Having Complex, Dynamic Evolving Morphology

    Energy Technology Data Exchange (ETDEWEB)

    Bellan, Paul M. [California Inst. of Technology (CalTech), Pasadena, CA (United States)

    2017-01-03

    Three different types of plasmas have been investigated using both experimental and theoretical methods. The first type of plasma is dense, highly ionized, governed by magnetohydrodynamics, and highly dynamic. This plasma is relevant to solar coronal loops, astrophysical jets, and other situations where strong magnetic forces act on the plasma. A well-diagnosed laboratory experiment creates a magnetohydrodynamically driven highly collimated plasma jet. This jet undergoes a kink instability such that it rapidly develops a corkscrew shape. The kink causes lateral acceleration of the jet, and this lateral acceleration drives a Rayleigh-Taylor instability that in turn chokes the current flowing in the jet and causes a magnetic reconnection. The magnetic reconnection causes electron and ion heating as well as emission of whistler waves. This entire sequence of events has been observed, measured in detail, and related to theoretical models. The second type of plasma is a transient rf-produced plasma used as a seed plasma for the magnetohydrodynamic experiments described above. Detailed atomic physics ionization processes have been investigated and modeled. The third type of plasma that has been studied is a dusty plasma where the dust particles are spontaneously growing ice grains. The rapid growth of the ice grains to large size and their highly ordered alignment has been investigated as well as collective motion of the ice grains, including well-defined flows on the surface of nested toroids. In addition to the experimental work described above, several related theoretical models have been developed, most notably a model showing how a complex interaction between gravity and magnetic fields on extremely weakly ionized plasma in an accretion disk provides an electric power source that can drive astrophysical jets associated with the accretion disk. Eighteen papers reporting this work have been published in a wide variety of journals.

  19. Laser fields in dynamically ionized plasma structures for coherent acceleration

    CERN Document Server

    Luu-Thanh, Ph.; Pukhov, A.; Kostyukov, I.

    2015-01-01

    With the emergence of the CAN (Coherent Amplification Network) laser technology, a new scheme for direct particle acceleration in periodic plasma structures has been proposed. By using our full electromagnetic relativistic particle-in-cell (PIC) simulation code equipped with ionisation module, we simulate the laser fields dynamics in the periodic structures of different materials. We study how the dynamic ionization influences the field structure.

  20. The Dynamic Mutation Characteristics of Thermonuclear Reaction in Tokamak

    Directory of Open Access Journals (Sweden)

    Jing Li

    2014-01-01

    Full Text Available The stability and bifurcations of multiple limit cycles for the physical model of thermonuclear reaction in Tokamak are investigated in this paper. The one-dimensional Ginzburg-Landau type perturbed diffusion equations for the density of the plasma and the radial electric field near the plasma edge in Tokamak are established. First, the equations are transformed to the average equations with the method of multiple scales and the average equations turn to be a Z2-symmetric perturbed polynomial Hamiltonian system of degree 5. Then, with the bifurcations theory and method of detection function, the qualitative behavior of the unperturbed system and the number of the limit cycles of the perturbed system for certain groups of parameter are analyzed. At last, the stability of the limit cycles is studied and the physical meaning of Tokamak equations under these parameter groups is given.

  1. Network structural analysis using directed graph for chemical reaction analysis in weakly-ionized plasmas

    Science.gov (United States)

    Nobuto, Kyosuke; Mizui, Yasutaka; Miyagi, Shigeyuki; Sakai, Osamu; Murakami, Tomoyuki

    2016-09-01

    We visualize complicated chemical reaction systems in weakly-ionized plasmas by analysing network structure for chemical processes, and calculate some indexes by assuming interspecies relationships to be a network to clarify them. With the current social evolution, the mean size of general data which we can use in computers grows huge, and significance of the data analysis increases. The methods of the network analysis which we focus on in this study do not depend on a specific analysis target, but the field where it has been already applied is still limited. In this study, we analyse chemical reaction systems in plasmas for configuring the network structure. We visualize them by expressing a reaction system in a specific plasma by a directed graph and examine the indexes and the relations with the characteristic of the species in the reaction system. For example, in the methane plasma network, the centrality index reveals importance of CH3 in an influential position of species in the reaction. In addition, silane and atmospheric pressure plasmas can be also visualized in reaction networks, suggesting other characteristics in the centrality indexes.

  2. Soliton dynamics in the multiphoton plasma regime

    CERN Document Server

    Husko, Chad A; Colman, Pierre; Zheng, Jiangjun; De Rossi, Alfredo; Wong, Chee Wei; 10.1038/srep01100

    2013-01-01

    Solitary waves have consistently captured the imagination of scientists, ranging from fundamental breakthroughs in spectroscopy and metrology enabled by supercontinuum light, to gap solitons for dispersionless slow-light, and discrete spatial solitons in lattices, amongst others. Recent progress in strong-field atomic physics include impressive demonstrations of attosecond pulses and high-harmonic generation via photoionization of free-electrons in gases at extreme intensities of 1014 Wcm2. Here we report the first phase-resolved observations of femtosecond optical solitons in a semiconductor microchip, with multiphoton ionization at picojoule energies and 1010 Wcm2 intensities. The dramatic nonlinearity leads to picojoule observations of free-electron-induced blue-shift at 1016 cm3 carrier densities and self-chirped femtosecond soliton acceleration. Furthermore, we evidence the time-gated dynamics of soliton splitting on-chip, and the suppression of soliton recurrence due to fast free-electron dynamics. Thes...

  3. Unimolecular reaction dynamics of well characterized ionic reactions. Final report, 1993--1997

    Energy Technology Data Exchange (ETDEWEB)

    Baer, T.

    1997-12-31

    The dissociation dynamics of well characterized and energy selected ions have been investigated by photoelectron photoion coincidence (PEPICO) spectrometry. A number of ions have been found which dissociate in competition with isomerization and which thus lead to multi-component decay rates. The dissociation dynamics on such complex potential energy surfaces are common for many free radical reactions, including some of importance to combustion processes. Individual reaction rates for isomerization and dissociation have been extracted from the data. In addition, all rates have been successfully modeled with the RRKM theory in combination with ab initio molecular orbital calculations. The dissociation dynamics of a dimer ion system has been studied on the UNC PEPICO apparatus as well as at the Chemical Dynamics Beam line of the ALS. This proof of principle experiment shows that it is possible to investigate such systems and to determine the heats of formation of free radicals by this approach. Finally, a dissociation involving a loose transition state with no exit barrier has been successfully modeled with a simplified version of the variational transition state theory (VTST). The aim of all of these studies is to develop protocols for modeling moderately complex unimolecular reactions with simple models.

  4. The photodissociation and reaction dynamics of vibrationally excited molecules

    Energy Technology Data Exchange (ETDEWEB)

    Crim, F.F. [Univ. of Wisconsin, Madison (United States)

    1993-12-01

    This research determines the nature of highly vibrationally excited molecules, their unimolecular reactions, and their photodissociation dynamics. The goal is to characterize vibrationally excited molecules and to exploit that understanding to discover and control their chemical pathways. Most recently the author has used a combination of vibrational overtone excitation and laser induced fluorescence both to characterize vibrationally excited molecules and to study their photodissociation dynamics. The author has also begun laser induced grating spectroscopy experiments designed to obtain the electronic absorption spectra of highly vibrationally excited molecules.

  5. Dynamics of Dust Aggregates in a Complex Plasma

    Science.gov (United States)

    Davis, Allen; Carmona Reyes, Jorge; Matthews, Lorin; Hyde, Truell

    2012-10-01

    Charged dust aggregates play an important role in many astrophysical phenomena, such as early stages of protostellar and protoplanetary growth, the dynamics of planetary rings and cometary tails, and the formation of noctilucent clouds in earth's upper atmosphere. Dust is also expected to be an unwanted byproduct in the operation of plasma fusion devices, such as ITER. In all of these environments, direct study of the dust aggregates in their in situ environment is extremely difficult, if not impossible. As a model for these complex plasma environments, dust aggregates are formed in a laboratory plasma as monodisperse spheres are accelerated in a self-excited dust density wave. Individual dust particles are perturbed using a diode pumped solid state laser (Coherent VERDI) with their motions recorded by a high-speed camera at 1000 fps. Analysis of the particle motion allows determination of the aggregate characteristics which determine the grain dynamics, such as charge, mass, and gas drag.

  6. Orbital free molecular dynamics; Approche sans orbitale des plasmas denses

    Energy Technology Data Exchange (ETDEWEB)

    Lambert, F

    2007-08-15

    The microscopic properties of hot and dense plasmas stay a field essentially studied thanks to classical theories like the One Component Plasma, models which rely on free parameters, particularly ionization. In order to investigate these systems, we have used, in this PhD work, a semi-classical model, without free parameters, that is based on coupling consistently classical molecular dynamics for the nuclei and orbital free density functional theory for the electrons. The electronic fluid is represented by a free energy entirely determined by the local density. This approximation was validated by a comparison with an ab initio technique, quantum molecular dynamics. This one is identical to the previous except for the description of the free energy that depends on a quantum-independent-particle model. Orbital free molecular dynamics was then used to compute equation of state of boron and iron plasmas in the hot and dense regime. Furthermore, comparisons with classical theories were performed on structural and dynamical properties. Finally, equation of state and transport coefficients mixing laws were studied by direct simulation of a plasma composed of deuterium and copper. (author)

  7. Dynamics of lane formation in driven binary complex plasmas

    NARCIS (Netherlands)

    Sutterlin, K. R.; Wysocki, A.; Ivlev, A. V.; Rath, C.; Thomas, H. M.; Rubin-Zuzic, M.; W. J. Goedheer,; Fortov, V. E.; Lipaev, A. M.; Molotkov, V. I.; Petrov, O. F.; Morfill, G. E.; Lowen, H.

    2009-01-01

    The dynamical onset of lane formation is studied in experiments with binary complex plasmas under microgravity conditions. Small microparticles are driven and penetrate into a cloud of big particles, revealing a strong tendency towards lane formation. The observed time-resolved lane-formation proces

  8. Chemical memory reactions induced bursting dynamics in gene expression.

    Science.gov (United States)

    Tian, Tianhai

    2013-01-01

    Memory is a ubiquitous phenomenon in biological systems in which the present system state is not entirely determined by the current conditions but also depends on the time evolutionary path of the system. Specifically, many memorial phenomena are characterized by chemical memory reactions that may fire under particular system conditions. These conditional chemical reactions contradict to the extant stochastic approaches for modeling chemical kinetics and have increasingly posed significant challenges to mathematical modeling and computer simulation. To tackle the challenge, I proposed a novel theory consisting of the memory chemical master equations and memory stochastic simulation algorithm. A stochastic model for single-gene expression was proposed to illustrate the key function of memory reactions in inducing bursting dynamics of gene expression that has been observed in experiments recently. The importance of memory reactions has been further validated by the stochastic model of the p53-MDM2 core module. Simulations showed that memory reactions is a major mechanism for realizing both sustained oscillations of p53 protein numbers in single cells and damped oscillations over a population of cells. These successful applications of the memory modeling framework suggested that this innovative theory is an effective and powerful tool to study memory process and conditional chemical reactions in a wide range of complex biological systems.

  9. Untangling knots via reaction-diffusion dynamics of vortex strings

    CERN Document Server

    Maucher, Fabian

    2016-01-01

    We introduce and illustrate a new approach to the unknotting problem via the dynamics of vortex strings in a nonlinear partial differential equation of reaction-diffusion type. To untangle a given knot, a Biot-Savart construction is used to initialize the knot as a vortex string in the FitzHugh-Nagumo equation. Remarkably, we find that the subsequent evolution preserves the topology of the knot and can untangle an unknot into a circle. Illustrative test case examples are presented, including the untangling of a hard unknot known as the culprit. Our approach to the unknotting problem has two novel features, in that it applies field theory rather than particle mechanics and uses reaction-diffusion dynamics in place of energy minimization.

  10. Effect of Coriolis coupling in chemical reaction dynamics.

    Science.gov (United States)

    Chu, Tian-Shu; Han, Ke-Li

    2008-05-14

    It is essential to evaluate the role of Coriolis coupling effect in molecular reaction dynamics. Here we consider Coriolis coupling effect in quantum reactive scattering calculations in the context of both adiabaticity and nonadiabaticity, with particular emphasis on examining the role of Coriolis coupling effect in reaction dynamics of triatomic molecular systems. We present the results of our own calculations by the time-dependent quantum wave packet approach for H + D2 and F(2P3/2,2P1/2) + H2 as well as for the ion-molecule collisions of He + H2 +, D(-) + H2, H(-) + D2, and D+ + H2, after reviewing in detail other related research efforts on this issue.

  11. Untangling Knots Via Reaction-Diffusion Dynamics of Vortex Strings

    Science.gov (United States)

    Maucher, Fabian; Sutcliffe, Paul

    2016-04-01

    We introduce and illustrate a new approach to the unknotting problem via the dynamics of vortex strings in a nonlinear partial differential equation of reaction-diffusion type. To untangle a given knot, a Biot-Savart construction is used to initialize the knot as a vortex string in the FitzHugh-Nagumo equation. Remarkably, we find that the subsequent evolution preserves the topology of the knot and can untangle an unknot into a circle. Illustrative test case examples are presented, including the untangling of a hard unknot known as the culprit. Our approach to the unknotting problem has two novel features, in that it applies field theory rather than particle mechanics and uses reaction-diffusion dynamics in place of energy minimization.

  12. Reaction dynamics studies for the system 7Be+58Ni

    Science.gov (United States)

    Torresi, D.; Mazzocco, M.; Acosta, L.; Boiano, A.; Boiano, C.; Diaz-Torres, A.; Fierro, N.; Glodariu, T.; Grilj, L.; Guglielmetti, A.; Keeley, N.; La Commara, M.; Martel, I.; Mazzocchi, C.; Molini, P.; Pakou, A.; Parascandolo, C.; Parkar, V. V.; Patronis, N.; Pierroutsakou, D.; Romoli, M.; Rusek, K.; Sanchez-Benitez, A. M.; Sandoli, M.; Signorini, C.; Silvestri, R.; Soramel, F.; Stiliaris, E.; Strano, E.; Stroe, L.; Zerva, K.

    2015-04-01

    The study of reactions induced by exotic weakly bound nuclei at energies around the Coulomb barrier had attracted a large interest in the last decade, since the features of these nuclei can deeply affect the reaction dynamics. The discrimination between different reaction mechanisms is, in general, a rather difficult task. It can be achieved by using detector arrays covering high solid angle and with high granularity that allow to measure the reaction products and, possibly, coincidences between them, as, for example, recently done for stable weakly bound nuclei [1, 2]. We investigated the collision of the weakly bound nucleus 7Be on a 58Ni target at the beam energy of 1.1 times the Coulomb barrier, measuring the elastic scattering angular distribution and the energy and angular distributions of 3He and 4He. The 7Be radioactive ion beam was produced by the facility EXOTIC at INFN-LNL with an energy of 22 MeV and an intensity of ~3×105 pps. Results showed that the 4He yeld is about 4 times larger than 3He yield, suggesting that reaction mechanisms other than the break-up mostly produce the He isotopes. Theoretical calculations for transfer channels and compound nucleus reactions suggest that complete fusion accounts for (41±5%) of the total reaction cross section extracted from optical model analysis of the elastic scattering data, and that 3He and 4He stripping are the most populated reaction channels among direct processes. Eventually estimation of incomplete fusion contributions to the 3,4He production cross sections was performed through semi-classical calculations with the code PLATYPUS [3].

  13. Dynamic signaling cascades: reversible covalent reaction-coupled molecular switches.

    Science.gov (United States)

    Ren, Yulong; You, Lei

    2015-11-11

    The research of systems chemistry exploring complex mixtures of interacting synthetic molecules has been burgeoning recently. Herein we demonstrate for the first time the coupling of molecular switches with a dynamic covalent reaction (DCR) and the modulation of created chemical cascades with a variety of inputs, thus closely mimicking a biological signaling system. A novel Michael type DCR of 10-methylacridinium perchlorate and monothiols exhibiting excellent regioselectivity and tunable affinity was discovered. A delicate balance between the unique reactivity of the reactant and the stability of the adduct leads to the generation of a strong acid in a thermodynamically controlled system. The dynamic cascade was next created via coupling of the DCR and a protonation-induced configurational switch (E/Z isomerization) through a proton relay. Detailed examination of the interdependence of the equilibrium enabled us to rationally optimize the cascade and also shed light on the possible intermediate of the switching process. Furthermore, relative independence of the coupled reactions was verified by the identification of stimuli that are able to facilitate one reaction but suppress the other. To further enhance systematic complexity, a second DCR of electrophilic aldehydes and thiols was employed for the reversible inhibition of the binary system, thus achieving the interplay of multiple equilibria. Finally, a fluorescence switch was turned on through coupling with the DCR, showcasing the versatility of our strategy. The results described herein should pave the way for the exploitation of multifunctional dynamic covalent cascades.

  14. Extending Magnetohydrodynamics to the Slow Dynamics of Collisionless Plasmas

    Science.gov (United States)

    Passot, T.; Sulem, P. L.; Hunana, P.

    2012-01-01

    A fluid approach aimed to provide a consistent description of the slow dynamics of a collisionless plasma, is presented. In this regime, both Landau damping and finite Larmor radius effects cannot be ignored. Two models are discussed; one retains the dynamics at sub-ionic scales, while the other is restricted to scales larger than the ion gyroscale. Special attention is paid to the capability of these approaches to accurately reproduce the properties of linear waves that are known to play an important role, for example, in the small-scale dynamics of solar wind turbulence.

  15. Complex Reaction Environments and Competing Reaction Mechanisms in Zeolite Catalysis: Insights from Advanced Molecular Dynamics.

    Science.gov (United States)

    De Wispelaere, Kristof; Ensing, Bernd; Ghysels, An; Meijer, Evert Jan; Van Speybroeck, Veronique

    2015-06-22

    The methanol-to-olefin process is a showcase example of complex zeolite-catalyzed chemistry. At real operating conditions, many factors affect the reactivity, such as framework flexibility, adsorption of various guest molecules, and competitive reaction pathways. In this study, the strength of first principle molecular dynamics techniques to capture this complexity is shown by means of two case studies. Firstly, the adsorption behavior of methanol and water in H-SAPO-34 at 350 °C is investigated. Hereby an important degree of framework flexibility and proton mobility was observed. Secondly, the methylation of benzene by methanol through a competitive direct and stepwise pathway in the AFI topology was studied. Both case studies clearly show that a first-principle molecular dynamics approach enables unprecedented insights into zeolite-catalyzed reactions at the nanometer scale to be obtained.

  16. Geometrical Models of the Phase Space Structures Governing Reaction Dynamics

    CERN Document Server

    Waalkens, Holger

    2009-01-01

    Hamiltonian dynamical systems possessing equilibria of ${saddle} \\times {centre} \\times...\\times {centre}$ stability type display \\emph{reaction-type dynamics} for energies close to the energy of such equilibria; entrance and exit from certain regions of the phase space is only possible via narrow \\emph{bottlenecks} created by the influence of the equilibrium points. In this paper we provide a thorough pedagogical description of the phase space structures that are responsible for controlling transport in these problems. Of central importance is the existence of a \\emph{Normally Hyperbolic Invariant Manifold (NHIM)}, whose \\emph{stable and unstable manifolds} have sufficient dimensionality to act as separatrices, partitioning energy surfaces into regions of qualitatively distinct behavior. This NHIM forms the natural (dynamical) equator of a (spherical) \\emph{dividing surface} which locally divides an energy surface into two components (`reactants' and `products'), one on either side of the bottleneck. This di...

  17. APS presents prizes in fluid dynamics and plasma physics

    Energy Technology Data Exchange (ETDEWEB)

    1992-12-01

    This article reviews the presentation of the American Physical Society awards in fluid dynamics and plasma physics. The recipient of the plasma physics James Clerk Maxwell Prize was John M. Green for contributions to the theory of magnetohydrodynamics equilibria and ideal and resistive instabilities, for discovering the inverse scattering transform leading to soliton solutions of many nonlinear partial differential equations and for inventing the residue method of determining the transition to global chaos. The excellence in Plasma Physics Research Award was presented to Nathaniel A. Fisch for theoretical investigations of noninductive current generation in toroidally confined plasma. Wim Pieter Leemans received the Simon Ramo Award for experimental and simulational contributions to laser-plasma physics. William R. Sears was given the 1992 Fuid Dynamics Prize for contributions to the study of steady and unsteady aerodynamics, aeroacoustics, magnetoaerodynamics,and wind tunnel design. William C. Reynolds received the Otto Laporte Award for experimental, theoretical, and computational work in turbulence modeling and control and leadership in direct numerical simulation and large eddy simulation.

  18. A dynamical model of plasma turbulence in the solar wind.

    Science.gov (United States)

    Howes, G G

    2015-05-13

    A dynamical approach, rather than the usual statistical approach, is taken to explore the physical mechanisms underlying the nonlinear transfer of energy, the damping of the turbulent fluctuations, and the development of coherent structures in kinetic plasma turbulence. It is argued that the linear and nonlinear dynamics of Alfvén waves are responsible, at a very fundamental level, for some of the key qualitative features of plasma turbulence that distinguish it from hydrodynamic turbulence, including the anisotropic cascade of energy and the development of current sheets at small scales. The first dynamical model of kinetic turbulence in the weakly collisional solar wind plasma that combines self-consistently the physics of Alfvén waves with the development of small-scale current sheets is presented and its physical implications are discussed. This model leads to a simplified perspective on the nature of turbulence in a weakly collisional plasma: the nonlinear interactions responsible for the turbulent cascade of energy and the formation of current sheets are essentially fluid in nature, while the collisionless damping of the turbulent fluctuations and the energy injection by kinetic instabilities are essentially kinetic in nature.

  19. Excitation and Ionisation dynamics in high-frequency plasmas

    Science.gov (United States)

    O'Connell, D.

    2008-07-01

    Non-thermal low temperature plasmas are widely used for technological applications. Increased demands on plasma technology have resulted in the development of various discharge concepts based on different power coupling mechanisms. Despite this, power dissipation mechanisms in these discharges are not yet fully understood. Of particular interest are low pressure radio-frequency (rf) discharges. The limited understanding of these discharges is predominantly due to the complexity of the underlying mechanisms and difficult diagnostic access to important parameters. Optical measurements are a powerful diagnostic tool offering high spatial and temporal resolution. Optical emission spectroscopy (OES) provides non-intrusive access, to the physics of the plasma, with comparatively simple experimental requirements. Improved advances in technology and modern diagnostics now allow deeper insight into fundamental mechanisms. In low pressure rf discharges insight into the electron dynamics within the rf cycle can yield vital information. This requires high temporal resolution on a nano-second time scale. The optical emission from rf discharges exhibits temporal variations within the rf cycle. These variations are particularly strong, in for example capacitively coupled plasmas (CCPs), but also easily observable in inductively coupled plasmas (ICPs), and can be exploited for insight into power dissipation. Interesting kinetic and non-linear coupling effects are revealed in capacitive systems. The electron dynamics exhibits a complex spatio-temporal structure. Excitation and ionisation, and, therefore, plasma sustainment is dominated through directed energetic electrons created through the dynamics of the plasma boundary sheath. In the relatively simple case of an asymmetric capacitively coupled rf plasma the complexity of the power dissipation is exposed and various mode transitions can be clearly observed and investigated. At higher pressure secondary electrons dominate the

  20. Application of nonlinear dynamic techniques to high pressure plasma jets

    Science.gov (United States)

    Ghorui, S.; Das, A. K.

    2010-02-01

    Arcs and arc plasmas have been known and used for welding, cutting, chemical synthesis and multitude of other industrial applications for more than hundred years. Though a copious source of heat, light and active species, plasma arc is inherently unstable, turbulent and difficult to control. During recent years, primarily driven by the need of new and energy efficient materials processing, various research groups around the world have been studying new and innovative ways of looking at the issues related to arc dynamics, arc stabilization, species non equilibrium, flow and heat transfer in a stabilized arc plasma device. In this context, experimental determination of nature of arc instabilities using tools of non-linear dynamics, theoretical model formulation, prediction of instability behavior under given operating conditions and possible control methods for the observed instabilities in arcs are reviewed. Space selective probing of the zones inside arc plasma devices without disturbing the system is probably the best way to identify the originating zone of instabilities inside such devices. Existence of extremely high temperature and inaccessibility to direct experimentations due to mechanical obstructions make this task extremely difficult. Probing instabilities in otherwise inaccessible inner regions of the torches, using binary gas mixture as plasma gas is a novel technique that primarily rests on a process known as demixing in arcs. Once a binary gas mixture enters the constricted plasma column, the demixing process sets in causing spatial variations for each of the constituent gases depending on the diffusion coefficients and the gradient of the existing temperature field. By varying concentrations of the constituent gases in the feeding line, it is possible to obtain spatial variations of the plasma composition in a desired manner, enabling spatial probing of the associated zones. Detailed compositional description of different zones inside the torch may be

  1. Nonlinear dynamics of electromagnetic pulses in cold relativistic plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Bonatto, A.; Pakter, R.; Rizzato, F.B. [Universidade Federal do Rio Grande do Sul, Instituto de Fisica, Rio Grande do Sul (Brazil)

    2004-07-01

    The propagation of intense electromagnetic pulses in plasmas is a subject of current interest particularly for particle acceleration and laser fusion.In the present analysis we study the self consistent propagation of nonlinear electromagnetic pulses in a one dimensional relativistic electron-ion plasma, from the perspective of nonlinear dynamics. We show how a series of Hamiltonian bifurcations give rise to the electric fields which are of relevance in the subject of particle acceleration. Connections between these bifurcated solutions and results of earlier analysis are made. (authors)

  2. Molecular dynamical modelling of endohedral fullerenes formation in plasma

    Science.gov (United States)

    Fedorov, A. S.; Kovaleva, E. A.; Lubkova, T. A.; Popov, Z. I.; Kuzubov, A. A.; Visotin, M. A.; Irle, S.

    2016-02-01

    The initial stages of fullerene and endohedral metallofullerene (EMF) synthesis in carbon-helium plasma at 1500 K and 2500 K have been simulated with quantum chemical molecular dynamics (MD) based on density-functional tight-binding (DFTB). The cases of formation of large (>100 atoms) sp2-carbon clusters with scandium atoms inside were observed. These clusters are considered as precursors of fullerenes or EMFs, and thus it is shown that formation of EMFs can be explained within the framework of "shrinking hot giant" mechanism. Also, the dependence of formation rates on plasma parameters, including temperature, buffer gas and metal atoms concentrations, has been studied.

  3. Preliminary evaluation of a process using plasma reactions to desulfurize heavy oils. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Grimes, P.W.; Miknis, F.P.

    1997-09-01

    Western Research Institute (WRI) has conducted exploratory experiments on the use of microwave-induced plasmas to desulfurize heavy oils. Batch mode experiments were conducted in a quartz reactor system using various reactive and nonreactive plasmas. In these experiments a high-sulfur asphalt was exposed to various plasmas, and the degree of conversion to distillate, gas, and solids was recorded. Products from selected experiments were analyzed to determine if the plasma exposure had resulted in a significant reduction in sulfur content. Exploratory experiments were conducted using reactive plasmas generated from hydrogen and methane and nonreactive plasmas generated from nitrogen. The effects of varying exposure duration, sample temperature, and location of the sample with respect to the plasma discharge were investigated. For comparative purposes two experiments were conducted in which the sample was heated under nitrogen with no plasma exposure. Distillates containing approximately 28% less sulfur than the feedstock represented the maximum desulfurization attained in the plasma experiments. It does not appear that plasma reactions using the simple configurations employed in this study represent a viable method for the desulfurization of heavy oils.

  4. Unusual clotting dynamics of plasma supplemented with iron(III).

    Science.gov (United States)

    Jankun, Jerzy; Landeta, Philip; Pretorius, Etheresia; Skrzypczak-Jankun, Ewa; Lipinski, Bogusław

    2014-02-01

    Iron salts are used in the treatment of iron deficiency anemia. Diabetic patients are frequently anemic and treatment includes administration of iron. Anemic patients on hemodialysis are at an increased risk of thromboembolic coronary events associated with the formation of dense fibrin clots resistant to fibrinolysis. Moreover, in chronic kidney disease patients, high labile plasma iron levels associated with iron supplementation are involved in complications found in dialyzed patients such as myocardial infarction. The aim of the present study was to investigate whether iron treatment is involved in the formation of the fibrin clots. Clotting of citrated plasma supplemented with Fe(3+) was investigated by thromboelastometry and electron microscopy. The results revealed that iron modifies coagulation in a complex manner. FeCl(3) stock solution underwent gradual chemical modification during storage and altered the coagulation profile over 29 days, suggesting that Fe(3+) interacts with both proteins of the coagulation cascade as well as the hydrolytic Fe(3+) species. Iron extends clotting of plasma by interacting with proteins of the coagulation cascade. Fe(3+) and/or its hydrolytic species interact with fibrinogen and/or fibrin changing their morphology and properties. In general FeCl(3) weakens the fibrin clot while at the same time precipitating plasma proteins immediately after application. Fe(3+) or its derivatives induced the formation of insoluble coagulums in non-enzymatic reactions including albumin and transferrin. Iron plays a role in coagulation and can precipitate plasma proteins. The formation of coagulums resistant to lysis in non‑enzymatic reactions can increase the risk of thrombosis, and extending clotting of plasma can prolong bleeding.

  5. Discharge effects on gas flow dynamics in a plasma jet

    Science.gov (United States)

    Xian, Yu Bin; Hasnain Qaisrani, M.; Yue, Yuan Fu; Lu, Xin Pei

    2016-10-01

    Plasma is used as a flow visualization method to display the gas flow of a plasma jet. Using this method, it is found that a discharge in a plasma jet promotes the transition of the gas flow to turbulence. A discharge at intermediate frequency (˜6 kHz in this paper) has a stronger influence on the gas flow than that at lower or higher frequencies. Also, a higher discharge voltage enhances the transition of the gas flow to turbulence. Analysis reveals that pressure modulation induced both by the periodically directed movement of ionized helium and Ohmic heating on the gas flow plays an important role in inducing the transition of the helium flow regime. In addition, since the modulations induced by the high- and low-frequency discharges are determined by the frequency-selective effect, only intermediate-frequency (˜6 kHz) discharges effectively cause the helium flow transition from the laminar to the turbulent flow. Moreover, a discharge with a higher applied voltage makes a stronger impact on the helium flow because it generates stronger modulations. These conclusions are useful in designing cold plasma jets and plasma torches. Moreover, the relationship between the discharge parameters and the gas flow dynamics is a useful reference on active flow control with plasma actuators.

  6. Reaction-in-Flight neutrons as a test of stopping power in degenerate plasmas

    Science.gov (United States)

    Hayes, A. C.; Cerjan, C. J.; Jungman, G.; Fowler, M. M.; Gooden, M. E.; Grim, G. P.; Henry, E.; Rundberg, R. S.; Sepke, S. M.; Schneider, D. H. G.; Singleton, R. L.; Tonchev, A. P.; Wilhelmy, J. B.; Yeamans, C. B.

    2016-05-01

    Cryogenically cooled inertial confinement fusion capsule designs are suitable for studies of reaction-in-flight (RIF) neutrons. RIF neutrons occur when energetically up-scattered ions undergo DT reactions with a thermal ion in the plasma, producing neutrons in the energy range 9-30 MeV. The knock-on ions lose energy as they traverse the plasma, which directly affects the spectrum of the produced RIF neutrons. Here we present measurements from the National Ignition Facility (NIF) of RIF neutrons produced in cryogenic capsules, with energies above 15 MeV. We show that the measured RIFs probe stopping under previously unexplored degenerate plasma conditions and constrain stopping models in warm dense plasma conditions.

  7. Dynamic biochemical reaction process analysis and pathway modification predictions.

    Science.gov (United States)

    Conejeros, R; Vassiliadis, V S

    2000-05-05

    Recently, the area of model predictive modification of biochemical pathways has received attention with the aim to increase the productivity of microbial systems. In this study, we present a generalization of previous work, where, using a sensitivity study over the fermentation as a dynamic system, the optimal selection of reaction steps for modification (amplification or attenuation) is determined. The influence of metabolites in the activity of enzymes has also been considered (through activation or inhibition). We further introduce a new concept in the dynamic modeling of biochemical reaction systems including a generalized continuous superstructure in which two artificial multiplicative terms are included to account for: (a) enzyme overexpression or underexpression (attenuation or amplification) for the whole enzyme pool; and (b) modification of the apparent order of a kinetic expression with respect to the concentration of a metabolite or any subset of metabolites participating in the pathway. This new formulation allows the prediction of the sensitivity of the pathway performance index (objective function) with respect to the concentration of the enzyme, as well as the interaction of the enzyme with other metabolites. Using this framework, a case study for the production of penicillin V is analyzed, obtaining the most sensitive reaction steps (or bottlenecks) and the most significant regulations of the system, due to the effect of concentration of intracellular metabolites on the activity of each enzyme.

  8. Coriolis-coupled wave packet dynamics of H + HLi reaction.

    Science.gov (United States)

    Padmanaban, R; Mahapatra, S

    2006-05-11

    We investigated the effect of Coriolis coupling (CC) on the initial state-selected dynamics of H+HLi reaction by a time-dependent wave packet (WP) approach. Exact quantum scattering calculations were obtained by a WP propagation method based on the Chebyshev polynomial scheme and ab initio potential energy surface of the reacting system. Partial wave contributions up to the total angular momentum J=30 were found to be necessary for the scattering of HLi in its vibrational and rotational ground state up to a collision energy approximately 0.75 eV. For each J value, the projection quantum number K was varied from 0 to min (J, K(max)), with K(max)=8 until J=20 and K(max)=4 for further higher J values. This is because further higher values of K do not have much effect on the dynamics and also because one wishes to maintain the large computational overhead for each calculation within the affordable limit. The initial state-selected integral reaction cross sections and thermal rate constants were calculated by summing up the contributions from all partial waves. These were compared with our previous results on the title system, obtained within the centrifugal sudden and J-shifting approximations, to demonstrate the impact of CC on the dynamics of this system.

  9. Effect of atmospheric oxidative plasma treatments on polypropylenic fibers surface: Characterization and reaction mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Nisticò, Roberto, E-mail: roberto.nistico@unito.it [University of Torino, Department of Chemistry and NIS Centre of Excellence, Via P. Giuria 7, 10125 Torino (Italy); Magnacca, Giuliana [University of Torino, Department of Chemistry and NIS Centre of Excellence, Via P. Giuria 7, 10125 Torino (Italy); Faga, Maria Giulia; Gautier, Giovanna [CNR-IMAMOTER, Strada delle Cacce 73, 10135 Torino (Italy); D’Angelo, Domenico; Ciancio, Emanuele [Clean-NT Lab, Environment Park S.p.A., Via Livorno 60, 10144 Torino (Italy); Lamberti, Roberta; Martorana, Selanna [Herniamesh S.r.l., Via F.lli Meliga 1/C, 10034 Chivasso (Italy)

    2013-08-15

    Atmospheric pressure plasma-dielectric barrier discharge (APP-DBD, open chamber configuration) was used to functionalize polypropylene (PP) fibers surface in order to generate oxidized-reactive groups such as hydroperoxides, alcohols and carbonyl species (i.e. ketones and others). Such a species increased the surface polarity, without causing material degradation. Three different types of plasma mixture (He, He/O{sub 2}, He/O{sub 2}/H{sub 2}O) under three different values of applied power (750, 1050, 1400 W) were investigated. The formed plasma species (O{sub 2}{sup +}, O single atom and OH radical) and their distribution were monitored via optical emission spectrometry (OES) measurements, and the plasma effects on PP surface species formation were followed by X-ray photoemission spectroscopy (XPS). Results allowed to better understand the reaction pathways between plasma phase and PP fibers. In fact, two reaction mechanisms were proposed, the first one concerning the plasma phase reactions and the second one involving material surface modifications.

  10. Imaging the dynamics of chlorine atom reactions with alkenes

    Science.gov (United States)

    Estillore, Armando D.; Visger, Laura M.; Suits, Arthur G.

    2010-08-01

    We report a study of chlorine atom reactions with a series of target monounsaturated alkene molecules: 1-pentene, 1-hexene, 2-hexene, and cyclohexene. These reactions were studied using crossed-beam dc slice ion imaging at collision energies of 4 and 7 kcal/mol. Images of the reactively scattered alkenyl radical products were obtained via single photon ionization at 157 nm. The angular distributions at low collision energy are largely isotropic, suggesting the formation of a complex that has a lifetime comparable to or longer than its rotational period, followed by HCl elimination. At high collision energy, the distributions show a sharp forward peak superimposed on the isotropic component accounting for ˜13% of the product flux. The translational energy distributions peak near zero for the backscattered product, in sharp contrast to the results for alkanes. In the forward direction, the translational energy distributions change dramatically with collision energy. At the high collision energy, a sharp forward peak at ˜80% of the collision energy appears, quite reminiscent of results of our recent study of Cl+pentane reactions. The scattering distributions for all target molecules are similar, suggesting similarity of the reaction dynamics among these molecules. Ab initio calculations of the energetics and ionization energies for the various product channels were performed at the CBS-QB3 level to aid in interpreting the results.

  11. Molecular-dynamics study of detonation. II. The reaction mechanism

    Science.gov (United States)

    Rice, Betsy M.; Mattson, William; Grosh, John; Trevino, S. F.

    1996-01-01

    In this work, we investigate mechanisms of chemical reactions that sustain an unsupported detonation. The chemical model of an energetic crystal used in this study consists of heteronuclear diatomic molecules that, at ambient pressure, dissociate endothermically. Subsequent association of the products to form homonuclear diatomic molecules provides the energy release that sustains the detonation. A many-body interaction is used to simulate changes in the electronic bonding as a function of local atomic environment. The consequence of the many-body interaction in this model is that the intramolecular bond is weakened with increasing density. The mechanism of the reaction for this model was extracted by investigating the details of the molecular properties in the reaction zone with two-dimensional molecular dynamics. The mechanism for the initiation of the reaction in this model is pressure-induced atomization. There was no evidence of excitation of vibrational modes to dissociative states. This particular result is directly attributable to the functional form and choice of parameters for this model, but might also have more general applicability.

  12. Dynamics of the induced acrosome reaction in boar sperm evaluated by flow cytometry

    DEFF Research Database (Denmark)

    Birck, Anders; Labouriau, Rodrigo; Christensen, Preben

    2009-01-01

    The present study investigated the dynamics of the in vitro induced acrosome reaction (AR) in boar sperm in response to medium composition, incubation time and ionophore concentration. The AR is a prerequisite for normal sperm fertilizing capability and can be studied in vitro following induction...... induced AR. A detailed description of the dynamics of sperm viability and acrosomal status of boar sperm following in vitro induction of the AR has to our knowledge not previously been conducted. In the present study, a triple color flow cytometric detection technique was used, which gave simultaneous...... information on sperm viability and acrosomal status. The ionophore induced AR was dependent on extracellular Ca2+, but could be easily induced in boar sperm without capacitation. Capacitation-associated plasma membrane phospholipid scrambling was assessed and a medium specific ability to induce these membrane...

  13. Crossed-beam studies of the dynamics of radical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Liu, K. [Argonne National Laboratory, IL (United States)

    1993-12-01

    The objective of this program is to characterize the detailed dynamics of elementary radical reactions and to provide a better understanding of radical reactivity in general. The radical beam is typically generated by a laser photolysis method. After colliding with the reacting molecule in a crossed-beam apparatus, the reaction product state distribution is interrogated by laser spectroscopic techniques. Several radicals of combustion significance, such as O, CH, OH, CN and NCO have been successfully generated and their collisional behavior at the state-to-state integral cross section level of detail has been studied in this manner. During the past year, the detection system has been converted from LIF to REMPI schemes, and the emphasis of this program shifted to investigate the product angular distributions. Both inelastic and reactive processes have been studied.

  14. Simulation of transition dynamics to high confinement in fusion plasmas

    DEFF Research Database (Denmark)

    Nielsen, Anders Henry; Xu, G. S.; Madsen, Jens;

    2015-01-01

    The transition dynamics from the low (L) to the high (H) confinement mode in magnetically confined plasmas is investigated using a first-principles four-field fluid model. Numerical results are in agreement with measurements from the Experimental Advanced Superconducting Tokamak - EAST. Particula......The transition dynamics from the low (L) to the high (H) confinement mode in magnetically confined plasmas is investigated using a first-principles four-field fluid model. Numerical results are in agreement with measurements from the Experimental Advanced Superconducting Tokamak - EAST....... Particularly, the slow transition with an intermediate dithering phase is well reproduced at proper parameters. The model recovers the power threshold for the L-H transition as well as the decrease in power threshold switching from single to double null configuration observed experimentally. The results...

  15. Super-resolution optical microscopy of lipid plasma membrane dynamics.

    Science.gov (United States)

    Eggeling, Christian

    2015-01-01

    Plasma membrane dynamics are an important ruler of cellular activity, particularly through the interaction and diffusion dynamics of membrane-embedded proteins and lipids. FCS (fluorescence correlation spectroscopy) on an optical (confocal) microscope is a popular tool for investigating such dynamics. Unfortunately, its full applicability is constrained by the limited spatial resolution of a conventional optical microscope. The present chapter depicts the combination of optical super-resolution STED (stimulated emission depletion) microscopy with FCS, and why it is an important tool for investigating molecular membrane dynamics in living cells. Compared with conventional FCS, the STED-FCS approach demonstrates an improved possibility to distinguish free from anomalous molecular diffusion, and thus to give new insights into lipid-protein interactions and the traditional lipid 'raft' theory.

  16. The quantum dynamics of electronically nonadiabatic chemical reactions

    Science.gov (United States)

    Truhlar, Donald G.

    1993-01-01

    Considerable progress was achieved on the quantum mechanical treatment of electronically nonadiabatic collisions involving energy transfer and chemical reaction in the collision of an electronically excited atom with a molecule. In the first step, a new diabatic representation for the coupled potential energy surfaces was created. A two-state diabatic representation was developed which was designed to realistically reproduce the two lowest adiabatic states of the valence bond model and also to have the following three desirable features: (1) it is more economical to evaluate; (2) it is more portable; and (3) all spline fits are replaced by analytic functions. The new representation consists of a set of two coupled diabatic potential energy surfaces plus a coupling surface. It is suitable for dynamics calculations on both the electronic quenching and reaction processes in collisions of Na(3p2p) with H2. The new two-state representation was obtained by a three-step process from a modified eight-state diatomics-in-molecules (DIM) representation of Blais. The second step required the development of new dynamical methods. A formalism was developed for treating reactions with very general basis functions including electronically excited states. Our formalism is based on the generalized Newton, scattered wave, and outgoing wave variational principles that were used previously for reactive collisions on a single potential energy surface, and it incorporates three new features: (1) the basis functions include electronic degrees of freedom, as required to treat reactions involving electronic excitation and two or more coupled potential energy surfaces; (2) the primitive electronic basis is assumed to be diabatic, and it is not assumed that it diagonalizes the electronic Hamiltonian even asymptotically; and (3) contracted basis functions for vibrational-rotational-orbital degrees of freedom are included in a very general way, similar to previous prescriptions for locally

  17. Observations of Magnetic Reconnection and Plasma Dynamics in Mercury's Magnetosphere

    Science.gov (United States)

    DiBraccio, Gina A.

    Mercury's magnetosphere is formed as a result of the supersonic solar wind interacting with the planet's intrinsic magnetic field. The combination of the weak planetary dipole moment and intense solar wind forcing of the inner heliosphere creates a unique space environment, which can teach us about planetary magnetospheres. In this work, we analyze the first in situ orbital observations at Mercury, provided by the MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft. Magnetic reconnection and the transport of plasma and magnetic flux are investigated using MESSENGER Magnetometer and Fast Imaging Plasma Spectrometer measurements. Here, we report our results on the effect of magnetic reconnection and plasma dynamics on Mercury's space environment: (1) Mercury's magnetosphere is driven by frequent, intense magnetic reconnection observed in the form of magnetic field components normal to the magnetopause, BN, and as helical bundles of flux, called magnetic flux ropes, in the cross-tail current sheet. The high reconnection rates are determined to be a direct consequence of the low plasma beta, the ratio of plasma to magnetic pressure, in the inner heliosphere. (2) As upstream solar wind conditions vary, we find that reconnection occurs at Mercury's magnetopause for all orientations of the interplanetary magnetic field, independent of shear angle. During the most extreme solar wind forcing events, the influence of induction fields generated within Mercury's highly conducting core are negated by erosion due to persistent magnetopause reconnection. (3) We present the first observations of Mercury's plasma mantle, which forms as a result of magnetopause reconnection and allows solar wind plasma to enter into the high-latitude magnetotail through the dayside cusps. The energy dispersion observed in the plasma mantle protons is used to infer the cross-magnetosphere electric field, providing a direct measurement of solar wind momentum

  18. Contributions of plasma physics to chaos and nonlinear dynamics

    Science.gov (United States)

    Escande, D. F.

    2016-11-01

    This topical review focusses on the contributions of plasma physics to chaos and nonlinear dynamics bringing new methods which are or can be used in other scientific domains. It starts with the development of the theory of Hamiltonian chaos, and then deals with order or quasi order, for instance adiabatic and soliton theories. It ends with a shorter account of dissipative and high dimensional Hamiltonian dynamics, and of quantum chaos. Most of these contributions are a spin-off of the research on thermonuclear fusion by magnetic confinement, which started in the fifties. Their presentation is both exhaustive and compact. [15 April 2016

  19. Organization and Dynamics of Receptor Proteins in a Plasma Membrane.

    Science.gov (United States)

    Koldsø, Heidi; Sansom, Mark S P

    2015-11-25

    The interactions of membrane proteins are influenced by their lipid environment, with key lipid species able to regulate membrane protein function. Advances in high-resolution microscopy can reveal the organization and dynamics of proteins and lipids within living cells at resolutions membranes of in vivo-like complexity. We explore the dynamics of proteins and lipids in crowded and complex plasma membrane models, thereby closing the gap in length and complexity between computations and experiments. Our simulations provide insights into the mutual interplay between lipids and proteins in determining mesoscale (20-100 nm) fluctuations of the bilayer, and in enabling oligomerization and clustering of membrane proteins.

  20. Nanodomain stabilization dynamics in plasma membranes of biological cells

    Science.gov (United States)

    Das, Tamal; Maiti, Tapas K.; Chakraborty, Suman

    2011-02-01

    We discover that a synergistically amplifying role of stabilizing membrane proteins and continuous lipid recycling can explain the physics governing the stability, polydispersity, and dynamics of lipid raft domains in plasma membranes of biological cells. We establish the conjecture using a generalized order parameter based on theoretical formalism, endorsed by detailed scaling arguments and domain mapping. Quantitative agreements with morphological distributions of raft complexes, as obtained from Förster resonance energy transfer based visualization, support the present theoretical conjecture.

  1. Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

    Energy Technology Data Exchange (ETDEWEB)

    Bradforth, S.E.

    1992-11-01

    The transition state region of a neutral bimolecular reaction may be experimentally investigated by photoelectron spectroscopy of an appropriate negative ion. The photoelectron spectrum provides information on the spectroscopy and dynamics of the short lived transition state and may be used to develop model potential energy surfaces that are semi-quantitative in this important region. The principles of bound [yields] bound negative ion photoelectron spectroscopy are illustrated by way of an example: a full analysis of the photoelectron bands of CN[sup [minus

  2. Dynamics of Magnetized Plasma Jets and Bubbles Launched into a Background Magnetized Plasma

    Science.gov (United States)

    Wallace, B.; Zhang, Y.; Fisher, D. M.; Gilmore, M.

    2016-10-01

    The propagation of dense magnetized plasma, either collimated with mainly azimuthal B-field (jet) or toroidal with closed B-field (bubble), in a background plasma occurs in a number of solar and astrophysical cases. Such cases include coronal mass ejections moving in the background solar wind and extragalactic radio lobes expanding into the extragalactic medium. Understanding the detailed MHD behavior is crucial for correctly modeling these events. In order to further the understanding of such systems, we are investigating the injection of dense magnetized jets and bubbles into a lower density background magnetized plasma using a coaxial plasma gun and a background helicon or cathode plasma. In both jet and bubble cases, the MHD dynamics are found to be very different when launched into background plasma or magnetic field, as compared to vacuum. In the jet case, it is found that the inherent kink instability is stabilized by velocity shear developed due to added magnetic tension from the background field. In the bubble case, rather than directly relaxing to a minimum energy Taylor state (spheromak) as in vacuum, there is an expansion asymmetry and the bubble becomes Rayleigh-Taylor unstable on one side. Recent results will be presented. Work supported by the Army Research Office Award No. W911NF1510480.

  3. Multiscale reaction-diffusion algorithms: PDE-assisted Brownian dynamics

    CERN Document Server

    Franz, Benjamin; Chapman, S Jonathan; Erban, Radek

    2012-01-01

    Two algorithms that combine Brownian dynamics (BD) simulations with mean-field partial differential equations (PDEs) are presented. This PDE-assisted Brownian dynamics (PBD) methodology provides exact particle tracking data in parts of the domain, whilst making use of a mean-field reaction-diffusion PDE description elsewhere. The first PBD algorithm couples BD simulations with PDEs by randomly creating new particles close to the interface which partitions the domain and by reincorporating particles into the continuum PDE-description when they cross the interface. The second PBD algorithm introduces an overlap region, where both descriptions exist in parallel. It is shown that to accurately compute variances using the PBD simulation requires the overlap region. Advantages of both PBD approaches are discussed and illustrative numerical examples are presented.

  4. The dynamics of plant plasma membrane proteins: PINs and beyond.

    Science.gov (United States)

    Luschnig, Christian; Vert, Grégory

    2014-08-01

    Plants are permanently situated in a fixed location and thus are well adapted to sense and respond to environmental stimuli and developmental cues. At the cellular level, several of these responses require delicate adjustments that affect the activity and steady-state levels of plasma membrane proteins. These adjustments involve both vesicular transport to the plasma membrane and protein internalization via endocytic sorting. A substantial part of our current knowledge of plant plasma membrane protein sorting is based on studies of PIN-FORMED (PIN) auxin transport proteins, which are found at distinct plasma membrane domains and have been implicated in directional efflux of the plant hormone auxin. Here, we discuss the mechanisms involved in establishing such polar protein distributions, focusing on PINs and other key plant plasma membrane proteins, and we highlight the pathways that allow for dynamic adjustments in protein distribution and turnover, which together constitute a versatile framework that underlies the remarkable capabilities of plants to adjust growth and development in their ever-changing environment.

  5. Modeling plasma pressure anisotropy's effect on Saturn's global magnetospheric dynamics

    Science.gov (United States)

    Tilley, M.; Harnett, E. M.; Winglee, R.

    2014-12-01

    A 3D multi-fluid, multi-scale plasma model with a complete treatment of plasma pressure anisotropy is employed to study global magnetospheric dynamics at Saturn. Cassini has observed anisotropies in the Saturnian magnetosphere, and analyses have showed correlations between anisotropy and plasma convection, ring current structure and intensity, confinement of plasma to the equatorial plane, as well as mass transport to the outer magnetosphere. The energization and transport of plasma within Saturn's magnetosphere is impactful upon the induced magnetic environments and atmospheres of potentially habitable satellites such as Enceladus and Titan. Recent efforts to couple pressure anisotropy with 3D multi-fluid plasma modeling have shown a significant move towards matching observations for simulations of Earth's magnetosphere. Our approach is used to study the effects of plasma pressure anisotropy on global processes of the Saturnian magnetosphere such as identifying the effect of pressure anisotropy on the centrifugal interchange instability. Previous simulation results have not completely replicated all aspects of the structure and formation of the interchange 'fingers' measured by Cassini at Saturn. The related effects of anisotropy, in addition to those mentioned above, include contribution to formation of MHD waves (e.g. reduction of Alfvén wave speed) and formation of firehose and mirror instabilities. An accurate understanding of processes such as the interchange instability is required if a complete picture of mass and energy transport at Saturn is to be realized. The results presented here will detail how the inclusion of a full treatment of pressure anisotropy for idealized solar wind conditions modifies the interchange structure and shape of the tail current sheet. Simulation results are compared to observations made by Cassini.

  6. Quasi-elastic reactions: an interplay of reaction dynamics and nuclear structure

    Energy Technology Data Exchange (ETDEWEB)

    Szilner, S; Jelavic-Malenica, D; Mijatovic, T; Soic, N [Ruder Botkovic Institute and University of Zagreb, Zagreb (Croatia); Corradi, L; Fioretto, E; Gadea, A; Mengoni, D; Stefanini, A M; Valiente-Dobon, J J [INFN - Laboratori Nazionali di Legnaro, Legnaro (Italy); Pollarolo, G [INFN and Universita di Torino (Italy); Beghini, S; Farnea, E; Lunardi, S; Montagnoli, G; Scarlassara, F; Ur, C A [INFN and Universita di Padova, Padova (Italy); Courtin, S; Haas, F; Lebhertz, D, E-mail: szilner@irb.hr [IPHC, CNRS/IN2P3 and Universite de Strasbourg, Strasbourg (France)

    2011-02-01

    The revival of transfer reaction studies benefited from the construction of the new generation large solid angle spectrometers based on trajectory reconstruction that reached an unprecedented efficiency and selectivity. The coupling of these spectrometers with large {gamma} arrays allowed the identification of individual excited states, their population pattern and decay modes via particle-{gamma} coincidences. In the present paper aspects of fragment-{gamma} coincidence studies measured with the Prisma-Clara set up in {sup 40}Ca+{sup 96}Zr and {sup 40}Ar+{sup 208}Pb are discussed. In particular, we report about states of particle-phonon character, supporting the idea that the relevant degrees of freedom acting in the reaction dynamics define the final yield distributions.

  7. Determination of total selenium and Se-77 in isotopically enriched human samples by ICP-dynamic reaction cell-MS

    DEFF Research Database (Denmark)

    Sloth, Jens Jørgen; Larsen, Erik Huusfeldt; Bügel, Susanne H.;

    2003-01-01

    This paper describes an analytical method for the simultaneous quantitative determination of total selenium (Se) and Se-77 in isotopically enriched human plasma, urine and faeces by inductively coupled plasma- dynamic reaction cell- mass spectrometry ( ICP- DRC- MS). The samples originated from...... and the digested faecal samples were diluted using an aqueous diluent containing 0.5% Triton X-100, 2% nitric acid and 3% methanol. Selenium was detected as Se-76, Se-77 and Se-80 by ICP- DRC- MS. Selenium originating from the natural isotope abundance yeast and other selenium sources from the diet was determined...

  8. Determining equilibrium constants for dimerization reactions from molecular dynamics simulations.

    Science.gov (United States)

    De Jong, Djurre H; Schäfer, Lars V; De Vries, Alex H; Marrink, Siewert J; Berendsen, Herman J C; Grubmüller, Helmut

    2011-07-15

    With today's available computer power, free energy calculations from equilibrium molecular dynamics simulations "via counting" become feasible for an increasing number of reactions. An example is the dimerization reaction of transmembrane alpha-helices. If an extended simulation of the two helices covers sufficiently many dimerization and dissociation events, their binding free energy is readily derived from the fraction of time during which the two helices are observed in dimeric form. Exactly how the correct value for the free energy is to be calculated, however, is unclear, and indeed several different and contradictory approaches have been used. In particular, results obtained via Boltzmann statistics differ from those determined via the law of mass action. Here, we develop a theory that resolves this discrepancy. We show that for simulation systems containing two molecules, the dimerization free energy is given by a formula of the form ΔG ∝ ln(P(1) /P(0) ). Our theory is also applicable to high concentrations that typically have to be used in molecular dynamics simulations to keep the simulation system small, where the textbook dilute approximations fail. It also covers simulations with an arbitrary number of monomers and dimers and provides rigorous error estimates. Comparison with test simulations of a simple Lennard Jones system with various particle numbers as well as with reference free energy values obtained from radial distribution functions show full agreement for both binding free energies and dimerization statistics.

  9. Systematic development of reduced reaction mechanisms for dynamic modeling

    Science.gov (United States)

    Frenklach, M.; Kailasanath, K.; Oran, E. S.

    1986-01-01

    A method for systematically developing a reduced chemical reaction mechanism for dynamic modeling of chemically reactive flows is presented. The method is based on the postulate that if a reduced reaction mechanism faithfully describes the time evolution of both thermal and chain reaction processes characteristic of a more complete mechanism, then the reduced mechanism will describe the chemical processes in a chemically reacting flow with approximately the same degree of accuracy. Here this postulate is tested by producing a series of mechanisms of reduced accuracy, which are derived from a full detailed mechanism for methane-oxygen combustion. These mechanisms were then tested in a series of reactive flow calculations in which a large-amplitude sinusoidal perturbation is applied to a system that is initially quiescent and whose temperature is high enough to start ignition processes. Comparison of the results for systems with and without convective flow show that this approach produces reduced mechanisms that are useful for calculations of explosions and detonations. Extensions and applicability to flames are discussed.

  10. Measurements of Dynamical Dipole in isospin asymmetric fusion reactions

    Science.gov (United States)

    Giaz, A.; Corsi, A.; Camera, F.; Bracco, A.; Crespi, F. C. L.; Leoni, S.; Nicolini, R.; Vandone, V.; Benzoni, G.; Blasi, N.; Brambilla, S.; Million, B.; Wieland, O.; Cinausero, M.; Degelier, M.; Gramegna, F.; Kravchuk, V. L.; Marchi, T.; Rizzi, V.; Bardelli, L.; Barlini, S.; Bini, M.; Carboni, S.; Casini, G.; Chiari, M.; Nannini, A.; Pasquali, G.; Piantelli, S.; Poggi, G.; Baiocco, G.; Bruno, M.; D'agostino, M.; Morelli, L.; Vannini, V.; Colonna, M.; Di Toro, M.; Rizzo, C.; Bednarcyk, P.; Ciemala, M.; Kmiecik, M.; Maj, A.; Mazurek, K.; Menczynski, W.; Alba, R.; Maiolino, C.; Santonocito, D.; Montanari, D.; Ordine, A.

    2012-05-01

    In heavy ion nuclear reactions the process leading to complete fusion is expected to produce pre-equilibrium γ-ray emission, if particular conditions are met. Indeed, when there is an N/Z asymmetry between projectile and target, charge equilibration takes place with a collective dipole oscillation, called Dynamical Dipole (DD), associated to a γ-ray emission. The existing experimental data concerning this pre-equilibrium γ-ray emission are still rather scarce and manly concentrated in the A≊132 mass region. The very preliminary results concerning the measurement of the DD γ-ray emission in the fusion reaction 16O (Elab=192 MeV) + 116Sn at 12 MeV/u will be presented and compared with the γ yield measured for the same reaction at 8.1 and 15.6 MeV/u. The present experiment aims at the measurement of the total emission yield of the DD at 12 MeV/u where the predicted theoretical yield does not completely reproduce the experimental data. The experiment has been performed at the INFN Legnaro Laboratories using the GARFIELD-HECTOR array.

  11. Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

    Energy Technology Data Exchange (ETDEWEB)

    Bradforth, S.E.

    1992-11-01

    The transition state region of a neutral bimolecular reaction may be experimentally investigated by photoelectron spectroscopy of an appropriate negative ion. The photoelectron spectrum provides information on the spectroscopy and dynamics of the short lived transition state and may be used to develop model potential energy surfaces that are semi-quantitative in this important region. The principles of bound {yields} bound negative ion photoelectron spectroscopy are illustrated by way of an example: a full analysis of the photoelectron bands of CN{sup {minus}}, NCO{sup {minus}} and NCS{sup {minus}}. Transition state photoelectron spectra are presented for the following systems Br + HI, Cl + HI, F + HI, F + CH{sub 3}0H,F + C{sub 2}H{sub 5}OH,F + OH and F + H{sub 2}. A time dependent framework for the simulation and interpretation of the bound {yields} free transition state photoelectron spectra is subsequently developed and applied to the hydrogen transfer reactions Br + HI, F + OH {yields} O({sup 3}P, {sup 1}D) + HF and F + H{sub 2}. The theoretical approach for the simulations is a fully quantum-mechanical wave packet propagation on a collinear model reaction potential surface. The connection between the wavepacket time evolution and the photoelectron spectrum is given by the time autocorrelation function. For the benchmark F + H{sub 2} system, comparisons with three-dimensional quantum calculations are made.

  12. Multiscale simulations of anisotropic particles combining Brownian Dynamics and Green's Function Reaction Dynamics

    CERN Document Server

    Vijaykumar, Adithya; Wolde, Pieter Rein ten; Bolhuis, Peter G

    2016-01-01

    The modeling of complex reaction-diffusion processes in, for instance, cellular biochemical networks or self-assembling soft matter can be tremendously sped up by employing a multiscale algorithm which combines the mesoscopic Green's Function Reaction Dynamics (GFRD) method with explicit stochastic Brownian, Langevin, or deterministic Molecular Dynamics to treat reactants at the microscopic scale [A. Vijaykumar, P.G. Bolhuis and P.R. ten Wolde, J. Chem. Phys. {\\bf 43}, 21: 214102 (2015)]. Here we extend this multiscale BD-GFRD approach to include the orientational dynamics that is crucial to describe the anisotropic interactions often prevalent in biomolecular systems. We illustrate the novel algorithm using a simple patchy particle model. After validation of the algorithm we discuss its performance. The rotational BD-GFRD multiscale method will open up the possibility for large scale simulations of e.g. protein signalling networks.

  13. Diagnostic techniques for measuring suprathermal electron dynamics in plasmas (invited).

    Science.gov (United States)

    Coda, S

    2008-10-01

    Plasmas, both in the laboratory and in space, are often not in thermodynamic equilibrium, and the plasma electron distribution function is accordingly non-Maxwellian. Suprathermal electron tails can be generated by external drives, such as rf waves and electric fields, or internal ones, such as instabilities and magnetic reconnection. The variety and importance of the phenomena in which suprathermal electrons play a significant role explains an enduring interest in diagnostic techniques to investigate their properties and dynamics. X-ray bremsstrahlung emission has been studied in hot magnetized plasmas for well over two decades, flanked progressively by electron-cyclotron emission in geometries favoring the high-energy end of the distribution function (high-field-side, vertical, oblique emission), by electron-cyclotron absorption, by spectroscopic techniques, and at lower temperatures, by Langmuir probes and electrostatic analyzers. Continuous progress in detector technology and in measurement and analysis techniques, increasingly sophisticated layouts (multichannel and tomographic systems, imaging geometries), and highly controlled suprathermal generation methods (e.g., perturbative rf modulation) have all been brought to bear in recent years on an increasingly detailed, although far from complete, understanding of suprathermal electron dynamics.

  14. Magneto-Hydro-Dynamic Waves In The Collisionless Space Plasma

    Science.gov (United States)

    Dzhalilov, N. S.; Kuznetsov, V. D.; Staude, J.

    2007-12-01

    The instability of magneto-hydro-dynamic (MHD) waves in an anisotropic, collisionless, rarefied hot plasma is studied. Anisotropy properties of such a plasma are caused by a strong magnetic field, when the thermal gas pressures across and along the field become unequal. Moreover, there appears an anisotropy of the thermal fluxes. The study of the anisotropy features of the plasma are motivated by observed solar coronal data. The 16 moments equations derived from the Boltzmann-Vlasov kinetic equation are used. These equations strongly differ from the usual isotropic MHD case. For linear disturbances the wave equations in homogenous anisotropic plasma are deduced. The general dispersion relation for the incompressible wave modes is derived, solved and analyzed. It is shown that a wide wave spectrum with stable and unstable behavior is possible, in contrast to the usual isotropic MHD case. The dependence of the instability on magnetic field, pressure anisotropy, and heat fluxes is investigated. The general instability condition is obtained. The results can be applied to the theory of solar and stellar coronal heating, to wind models and in other modeling, where the collisionless approximation is valid.

  15. Dynamics of resonant magnetic field penetration and plasma rotation

    Science.gov (United States)

    Ivanov, N. V.; Kakurin, A. M.

    2017-01-01

    Results of calculations and analysis of the penetration of resonant magnetic perturbations (RMP) into tokamak plasma are presented. The TEAR code used for the calculations is based on a two-fluid magnetohydrodynamics approximation that gives coupled diffusion-type equations for the magnetic flux perturbation and for plasma rotation velocities in toroidal and poloidal directions. The radial distribution of the magnetic flux perturbation is calculated taking account of an externally applied RMP and magnetic perturbation generated by an eddy current in the resistive-vacuum vessel. The decoupling of magnetic-island velocity from the velocity of plasma rotation is employed in the calculations according to available experimental evidence and corresponding theoretical understanding. The account of this decoupling, as well as of plasma rotation in the poloidal direction in addition to the toroidal one, reduces the RMP penetration threshold and accelerates the penetration process. The main attention is paid to the dependences of the RMP penetration dynamics on the simulation conditions. The simulation findings are compared with available experimental data. Some predictions of the penetration threshold values for ITER conditions are presented.

  16. Mechanism and Kinetics Analysis of NO/SO2/N2/O2 Dissociation Reactions in Non-Thermal Plasma

    Institute of Scientific and Technical Information of China (English)

    WANG Xinliang; LI Tingting; WEI Dongxiang; WEI Yanli; GU Fan

    2008-01-01

    The kinetics mechanism of the dissociation reactions in a NO/SO2/N2/O2 system was investigated in consideration of energetic electrons' impacts on a non-thermal plasma. A model was derived from the Boltzmann equation and molecule collision theory to predict the dissociation reaction rate coefficients. Upon comparison with available literature, the model was confirmed to be acceptably accurate in general. Several reaction rate coefficients of the NO/SO2/N2/O2 dissociation system were derived according to the Arrhenius formula. The activation energies of each plasma reaction were calculated by quantum chemistry methods. The relation between the dissociation reaction rate coefficient and electron temperature was established to describe the importance of each reaction and to predict relevant processes of gaseous chemical reactions. The sensitivity of the mechanism of NO/SO2/N2/O2 dissociation reaction in a non-thermal plasma was also analysed.

  17. Mechanical reaction-diffusion model for bacterial population dynamics

    CERN Document Server

    Ngamsaad, Waipot

    2015-01-01

    The effect of mechanical interaction between cells on the spreading of bacterial population was investigated in one-dimensional space. A nonlinear reaction-diffusion equation has been formulated as a model for this dynamics. In this model, the bacterial cells are treated as the rod-like particles that interact, when contacting each other, through the hard-core repulsion. The repulsion introduces the exclusion process that causes the fast diffusion in bacterial population at high density. The propagation of the bacterial density as the traveling wave front in long time behavior has been analyzed. The analytical result reveals that the front speed is enhanced by the exclusion process---and its value depends on the packing fraction of cell. The numerical solutions of the model have been solved to confirm this prediction.

  18. Multiscale Reaction-Diffusion Algorithms: PDE-Assisted Brownian Dynamics

    KAUST Repository

    Franz, Benjamin

    2013-06-19

    Two algorithms that combine Brownian dynami cs (BD) simulations with mean-field partial differential equations (PDEs) are presented. This PDE-assisted Brownian dynamics (PBD) methodology provides exact particle tracking data in parts of the domain, whilst making use of a mean-field reaction-diffusion PDE description elsewhere. The first PBD algorithm couples BD simulations with PDEs by randomly creating new particles close to the interface, which partitions the domain, and by reincorporating particles into the continuum PDE-description when they cross the interface. The second PBD algorithm introduces an overlap region, where both descriptions exist in parallel. It is shown that the overlap region is required to accurately compute variances using PBD simulations. Advantages of both PBD approaches are discussed and illustrative numerical examples are presented. © 2013 Society for Industrial and Applied Mathematics.

  19. Surface reaction mechanisms during ozone and oxygen plasma assisted atomic layer deposition of aluminum oxide.

    Science.gov (United States)

    Rai, Vikrant R; Vandalon, Vincent; Agarwal, Sumit

    2010-09-07

    We have elucidated the reaction mechanism and the role of the reactive intermediates in the atomic layer deposition (ALD) of aluminum oxide from trimethyl aluminum in conjunction with O(3) and an O(2) plasma. In situ attenuated total reflection Fourier transform infrared spectroscopy data show that both -OH groups and carbonates are formed on the surface during the oxidation cycle. These carbonates, once formed on the surface, are stable to prolonged O(3) exposure in the same cycle. However, in the case of plasma-assisted ALD, the carbonates decompose upon prolonged O(2) plasma exposure via a series reaction kinetics of the type, A (CH(3)) --> B (carbonates) --> C (Al(2)O(3)). The ratio of -OH groups to carbonates on the surface strongly depends on the oxidizing agent, and also the duration of the oxidation cycle in plasma-assisted ALD. However, in both O(3) and O(2) plasma cycles, carbonates are a small fraction of the total number of reactive sites compared to the hydroxyl groups.

  20. Measurements Of Stellar And Big-Bang Nucleosynthesis Reactions Using Inertially-Confined Plasmas

    Science.gov (United States)

    Zylstra, Alex; Herrmann, Hans; Gatu Johnson, Maria; Kim, Yongho; Frenje, Johan; Hale, Gerry; Li, Chikang; Rubery, Mike; Paris, Mark; Bacher, Andy; Brune, Carl; Forrest, Chad; Glebov, Vladimir; Janezic, Roger; McNabb, Dennis; Nikroo, Abbas; Pino, Jesse; Sangster, Craig; Seguin, Fredrick; Sio, Hong; Stoeckl, Christian; Petrasso, Richard

    2016-09-01

    The 3He+ 3He, T+3He, and p+D reactions directly relevant to either Stellar or Big-Bang Nucleosynthesis (BBN) have been studied at the OMEGA laser facility using inertially-confined plasmas, created using shock-driven `exploding pusher' implosions. These plasmas better mimic astrophysical systems than cold-target accelerator experiments. A new measured S-factor for the T(3He, γ)6Li reaction rules out an anomalously-high 6Li production during the Big Bang as an explanation to the high observed values in metal poor first generation stars. Our value is also inconsistent with values used in previous BBN calculations. Proton spectra from the 3He+3He and T+3He reactions are used to constrain nuclear R-matrix modeling, and recent experiments have probed the p+D reaction for the first time in a plasma. This work was partially supported by the LDRD program at LANL, US DOE, NLUF, LLE, and GA.

  1. Simulation of transition dynamics to high confinement in fusion plasmas

    CERN Document Server

    Nielsen, A H; Madsen, J; Naulin, V; Rasmussen, J Juul; Wan, B N

    2014-01-01

    The transition dynamics from the low (L) to the high (H) confinement mode in magnetically confined plasmas is investigated using a first-principles four-field fluid model. Numerical results are in close agreement with measurements from the Experimental Advanced Superconducting Tokamak - EAST. Particularly, the slow transition with an intermediate dithering phase is well reproduced by the numerical solutions. Additionally, the model reproduces the experimentally determined L-H transition power threshold scaling that the ion power threshold increases with increasing particle density. The results hold promise for developing predictive models of the transition, essential for understanding and optimizing future fusion power reactors.

  2. Statistical theory for the kinetics and dynamics of roaming reactions.

    Science.gov (United States)

    Klippenstein, Stephen J; Georgievskii, Yuri; Harding, Lawrence B

    2011-12-22

    We present a statistical theory for the effect of roaming pathways on product branching fractions in both unimolecular and bimolecular reactions. The analysis employs a separation into three distinct steps: (i) the formation of weakly interacting fragments in the long-range/van der Waals region of the potential via either partial decomposition (for unimolecular reactants) or partial association (for bimolecular reactants), (ii) the roaming step, which involves the reorientation of the fragments from one region of the long-range potential to another, and (iii) the abstraction, addition, and/or decomposition from the long-range region to yield final products. The branching between the roaming induced channel(s) and other channels is obtained from a steady-state kinetic analysis for the two (or more) intermediates in the long-range region of the potential. This statistical theory for the roaming-induced product branching is illustrated through explicit comparisons with reduced dimension trajectory simulations for the decompositions of H(2)CO, CH(3)CHO, CH(3)OOH, and CH(3)CCH. These calculations employ high-accuracy analytic potentials obtained from fits to wide-ranging CASPT2 ab initio electronic structure calculations. The transition-state fluxes for the statistical theory calculations are obtained from generalizations of the variable reaction coordinate transition state theory approach. In each instance, at low energy the statistical analysis accurately reproduces the branching obtained from the trajectory simulations. At higher energies, e.g., above 1 kcal/mol, increasingly large discrepancies arise, apparently due to a dynamical biasing toward continued decomposition of the incipient molecular fragments (for unimolecular reactions). Overall, the statistical theory based kinetic analysis is found to provide a useful framework for interpreting the factors that determine the significance of roaming pathways in varying chemical environments.

  3. Structural modification of the skin barrier by OH radicals: a reactive molecular dynamics study for plasma medicine

    Science.gov (United States)

    Van der Paal, J.; Verlackt, C. C.; Yusupov, M.; Neyts, E. C.; Bogaerts, A.

    2015-04-01

    While plasma treatment of skin diseases and wound healing has been proven highly effective, the underlying mechanisms, and more generally the effect of plasma radicals on skin tissue, are not yet completely understood. In this paper, we perform ReaxFF-based reactive molecular dynamics simulations to investigate the interaction of plasma generated OH radicals with a model system composed of free fatty acids, ceramides, and cholesterol molecules. This model system is an approximation of the upper layer of the skin (stratum corneum). All interaction mechanisms observed in our simulations are initiated by H-abstraction from one of the ceramides. This reaction, in turn, often starts a cascade of other reactions, which eventually lead to the formation of aldehydes, the dissociation of ceramides or the elimination of formaldehyde, and thus eventually to the degradation of the skin barrier function.

  4. BOOK REVIEW: Microscopic Dynamics of Plasmas and Chaos

    Science.gov (United States)

    Elskens, Y.; Escande, D.

    2003-04-01

    beautiful derivations of the self-consistent Lagrangian for wave-particle interactions, followed by an equivalent Hamiltonian formulation in terms of action-angle variables. In the following two chapters, these and related techniques are used to explore the deepest topics of plasma dynamics and wave theory, often from a beam-plasma perspective. The book begins afresh at chapter 5, which is an ambitious attempt to summarise modern classical dynamics. This chapter begins well, with a nice introduction to action-angle variables (these have already been extensively exploited in the preceding chapters, however!), but the account eventually became too compressed for the present reviewer. There follow two further chapters on both diffusion and the single-wave-particle system. Perhaps this book is best considered as a companion to the research literature (indeed there is a useful and extensive bibliography), rather than as a conventionally structured textbook. Certainly it is a book that should be read backwards and sideways, as well as forwards. Most readers, for example, will be more familiar with the Vlasov-Poisson system than with the N-body approach to particles and fields that is developed here: their natural starting point will perhaps be appendix G.4 of the present volume. Nor does the book provide a free-standing account of plasma dynamics from the chosen perspective. For example, prior familiarity with van Kampen modes in the Vlasov--Poisson description would greatly assist understanding of chapter 3. Challenging exercises are embedded in the text throughout (even in the otherwise excellent appendices), with answers not necessarily provided. Altogether, this book provides a wealth of theoretical information that is not easily accessible from any other source. It is a book with character, written from a definite viewpoint, but it also facilitates the development of the reader's own perspective by offering a clear path to the original research literature. R O Dendy

  5. Calcium Hex aluminate reaction sintering by Spark Plasma Sintering; Sinterizacion reactiva de Hexaluminato de Calcio mediante Spark Plasma Sintering

    Energy Technology Data Exchange (ETDEWEB)

    Iglesia, P. G. de la; Garcia-Moreno, O.; Torrecillas, R.; Menendez, J. L.

    2012-11-01

    Calcium hex aluminate (CaAl{sub 1}2O{sub 1}9) is the most alumina-rich intermediate compound of the CaO-Al{sub 2}O{sub 3} system. The formation of this aluminate is produced by the reaction between calcium oxide and alumina with the consequent formation of intermediates compounds with lower alumina content with increasing temperature (CaAl{sub 2}O{sub 4}, CaAl4O{sub 7}). In this study we studied the variation of sintering parameters for obtaining dense and pure calcium hex aluminate by reaction sintering by Spark Plasma Sintering (SPS). A mixing of Al{sub 2}O{sub 3} and CaCO{sub 3} were used as reactive. Final densities close to the theoretical and phase transformation over 93% were achieved by this method. (Author) 22 refs.

  6. Dynamic Thomson Scattering from Nonlinear Electron Plasma Waves in a Raman Plasma Amplifier

    Science.gov (United States)

    Davies, A.; Katz, J.; Bucht, S.; Haberberger, D.; Bromage, J.; Zuegel, J. D.; Froula, D. H.; Trines, R.; Bingham, R.; Sadler, J.; Norreys, P. A.

    2016-10-01

    Electron plasma waves (EPW's) can be used to transfer significant energy from a long-pulse laser to a short-pulse seed laser through the Raman scattering instability. Successful implementation of Raman amplification could open an avenue to producing high-intensity pulses beyond the capabilities of current laser technology ( 1022 W / cm 2). This three-wave interaction takes advantage of the plasma's ability to sustain large-amplitude plasma waves. Having complete knowledge of the EPW amplitude is essential to establishing optimal parameters for high-efficiency Raman amplification. A dynamic Thomson-scattering diagnostic is being developed to spatially and temporally resolve the amplitude of the driven and thermal EPW's. By imaging the scattered probe light onto a novel pulse-front tilt compensated streaked optical spectrometer, the diffraction efficiency of this plasma wave can be measured as a function of space and time. These data will be used in conjunction with particle-in-cell simulations to determine the EPW's spatial and temporal profile. This will allow the effect of the EPW profile on Raman scattering to be experimentally determined. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.

  7. Runaway electron dynamics in tokamak plasmas with high impurity content

    Science.gov (United States)

    Martín-Solís, J. R.; Loarte, A.; Lehnen, M.

    2015-09-01

    The dynamics of high energy runaway electrons is analyzed for plasmas with high impurity content. It is shown that modified collision terms are required in order to account for the collisions of the relativistic runaway electrons with partially stripped impurity ions, including the effect of the collisions with free and bound electrons, as well as the scattering by the full nuclear and the electron-shielded ion charge. The effect of the impurities on the avalanche runaway growth rate is discussed. The results are applied, for illustration, to the interpretation of the runaway electron behavior during disruptions, where large amounts of impurities are expected, particularly during disruption mitigation by massive gas injection. The consequences for the electron synchrotron radiation losses and the resulting runaway electron dynamics are also analyzed.

  8. The Center for Multiscale Plasma Dynamics, Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Gombosi, Tamas I.

    2008-10-13

    The University of Michigan participated in the joint UCLA/Maryland fusion science center focused on plasma physics problems for which the traditional separation of the dynamics into microscale and macroscale processes breaks down. These processes involve large scale flows and magnetic fields tightly coupled to the small scale, kinetic dynamics of turbulence, particle acceleration and energy cascade. The interaction between these vastly disparate scales controls the evolution of the system. The enormous range of temporal and spatial scales associated with these problems renders direct simulation intractable even in computations that use the largest existing parallel computers. Our efforts focused on two main problems: the development of Hall MHD solvers on solution adaptive grids and the development of solution adaptive grids using generalized coordinates so that the proper geometry of inertial confinement can be taken into account and efficient refinement strategies can be obtained.

  9. Reaction mechanisms of methylene-blue degradation in three-dimensionally integrated micro-solution plasma

    Science.gov (United States)

    Shirafuji, Tatsuru; Ishida, Yodai; Nomura, Ayano; Hayashi, Yui; Goto, Motonobu

    2017-06-01

    We have performed matrix-assisted laser desorption ionization time-of-flight (MALDI-TOF) mass spectrometry (MS) on methylene-blue aqueous solutions treated with three-dimensionally integrated micro-solution plasma, in which we have acquired the time evolution of mass spectra as a function of treatment time. The time evolution of mass spectral peak intensities for major detected species has clearly indicated that the parent methylene-blue molecules are degraded through consecutive reactions. The primary reaction is the oxidation of the parent molecules. The oxidized species still have two benzene rings in the parent molecules. The secondary reactions are the separation of the oxidized species and the formation of compounds with one benzene ring. We have also performed the numerical fitting of the time evolution of the mass spectral peak intensities, the results of which have indicated that we must assume additional primary reactions before the primary oxidation for better agreement with experimental results.

  10. Uniform lateral etching of tungsten in deep trenches utilizing reaction-limited NF3 plasma process

    Science.gov (United States)

    Kofuji, Naoyuki; Mori, Masahito; Nishida, Toshiaki

    2017-06-01

    The reaction-limited etching of tungsten (W) with NF3 plasma was performed in an attempt to achieve the uniform lateral etching of W in a deep trench, a capability required by manufacturing processes for three-dimensional NAND flash memory. Reaction-limited etching was found to be possible at high pressures without ion irradiation. An almost constant etching rate that showed no dependence on NF3 pressure was obtained. The effect of varying the wafer temperature was also examined. A higher wafer temperature reduced the threshold pressure for reaction-limited etching and also increased the etching rate in the reaction-limited region. Therefore, the control of the wafer temperature is crucial to controlling the etching amount by this method. We found that the uniform lateral etching of W was possible even in a deep trench where the F radical concentration was low.

  11. Ring opening reaction dynamics in the reaction of hydrogen atoms with ethylene oxide

    Science.gov (United States)

    Shin, S. K.; Jarek, R. L.; Böhmer, E.; Wittig, C.

    1994-10-01

    Ethylene oxide, C2H4O, is a three-membered ring with a single oxygen atom bridging the two carbons. Reactions of H and D atoms with ethylene oxide have been studied in the gas phase to provide insight into the dynamics of three-membered ring opening. H atoms were produced by photolyzing HI in the wavelength range 240-266 nm. The channel leading to OH+C2H4 was monitored via laser-induced fluorescence (LIF) of the OH A 2Σ←X 2Π system. The D atom reaction yields OD with no hydrogen scrambling. With an available energy of 23 000 cm-1, the average OH D rotational energy is ˜350 cm-1 for OH(v=0) and OD(v=0) and ˜250 cm-1 for OD(v=1). OH(v=1) was not observed, while the OD(v=1) population was about one-tenth that of OD(v=0). There was no apparent bias in populations between Λ doublets in each of the spin-orbit states for both OH and OD. Doppler broadening of OH(v=0) rotational lines was measured to evaluate the average center-of-mass (c.m.) translational energy, which was found to be ˜2300 cm-1. On average, the ring opening process deposits ˜10% of the available energy into c.m. translation, ˜2% into OH rotation, and ˜88% into ethylene internal energy. Comparison with CH2CH2OH unimolecular dissociation dynamics and theoretical transition state calculations leads to a likely mechanism in which hydrogen abstracts oxygen via sequential C-O bond fission without involving a long-lived CH2CH2OH intermediate.

  12. Dust Particle Dynamics in The Presence of Highly Magnetized Plasmas

    Science.gov (United States)

    Lynch, Brian; Konopka, Uwe; Thomas, Edward; Merlino, Robert; Rosenberg, Marlene

    2016-10-01

    Complex plasmas are four component plasmas that contain, in addition to the usual electrons, ions, and neutral atoms, macroscopic electrically charged (nanometer to micrometer) sized ``dust'' particles. These macroscopic particles typically obtain a net negative charge due to the higher mobility of electrons compared to that of ions. Because the electrons, ions, and dust particles are charged, their dynamics may be significantly modified by the presence of electric and magnetic fields. Possible consequences of this modification may be the charging rate and the equilibrium charge. For example, in the presence of a strong horizontal magnetic field (B >1 Tesla), it may be possible to observe dust particle gx B deflection and, from that deflection, determine the dust grain charge. In this poster, we present recent data from performing multiple particle dropping experiments to characterize the g x B deflection in the Magnetized Dusty Plasma Experiment (MDPX). This work is supported by funding from the U. S. Department of Energy Grant Number DE - SC0010485 and the NASA/Jet Propulsion Laboratory, JPL-1543114.

  13. Lipid signalling dynamics at the β-cell plasma membrane.

    Science.gov (United States)

    Wuttke, Anne

    2015-04-01

    Pancreatic β-cells are clustered in islets of Langerhans and secrete insulin in response to increased concentrations of circulating glucose. Insulin in turn acts on liver, muscle and fat tissue to store energy and normalize the blood glucose level. Inappropriate insulin release may lead to impaired glucose tolerance and diabetes. In addition to glucose, other nutrients, neural stimuli and hormonal stimuli control insulin secretion. Many of these signals are perceived at the plasma membrane, which is also the site where insulin granules undergo exocytosis. Therefore, it is not surprising that membrane lipids play an important role in the regulation of insulin secretion. β-cells release insulin in a pulsatile fashion. Signalling lipids integrate the nutrient and neurohormonal inputs to fine-tune, shape and co-ordinate the pulsatility. An important group of signalling lipids are phosphoinositides and their downstream messengers. This MiniReview will discuss new insights into lipid signalling dynamics in β-cells obtained from live-cell imaging experiments with fluorescent translocation biosensors. The plasma membrane concentration of several phosphoinositides and of their downstream messengers changes rapidly upon nutrient or neurohormonal stimulation. Glucose induces the most complex spatio-temporal patterns, typically involving oscillations of messenger concentrations, which sometimes are locally restricted. The tightly controlled levels of lipid messengers can mediate specific binding of downstream effectors to the plasma membrane, contributing to the appropriate regulation of insulin secretion.

  14. Triple nuclear reactions (d, n) in laser-generated plasma from deuterated targets

    Science.gov (United States)

    Torrisi, Lorenzo; Cutroneo, Mariapompea

    2017-06-01

    Measurements performed at Prague Asterix Laser System laboratory have permitted to study nuclear reactions in plasma produced by high intensity laser pulses (1016 W/cm2) accelerating high energetic ions. In particular, the laser irradiation of deuterated polyethylene (CD2) primary target, as thin foils, has produced the ion acceleration of C and D ions, and the presence of a thick LiD secondary target has produced nuclear reaction events due to the deuteron-deuteron, deuterons-lithium, and deuteron-carbon interactions. Fast and slow neutrons have been obtained mainly from the nuclear reactions 7Li(d, n)8Be, 2H(d, n)3He, and 12C(d, n)13N. Plasma monitoring and measurements of kinetic energies of produced particles in different directions were obtained using many detectors. The analyses were based on a semiconductor time-of-flight technique, an electric and magnetic ion deflection in a Thomson spectrometer, and ion track detectors. The maximum yields of neutrons produced in the used experimental conditions were evaluated to be about 4 × 108 and 3 × 108 neutrons/laser shot at energies of 14 MeV and 2.4 MeV, from the D-Li and D-D reactions, respectively, while the production of low energy neutrons from the third D-C reaction was negligible.

  15. Improving plasma resistance and lowering roughness in an ArF photoresist by adding a chemical reaction inhibitor

    Energy Technology Data Exchange (ETDEWEB)

    Jinnai, Butsurin; Uesugi, Takuji; Koyama, Koji; Samukawa, Seiji [Institute of Fluid Science, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Kato, Keisuke; Yasuda, Atsushi; Maeda, Shinichi [Yokohama Research Laboratories, Mitsubishi Rayon Co., Ltd., 10-1 Daikoku-cho, Tsurumi-ku, Yokohama 230-0053 (Japan); Momose, Hikaru, E-mail: samukawa@ifs.tohoku.ac.j [Corporate Research Laboratories, Mitsubishi Rayon Co. Ltd., 2-1 Miyuki-cho, Otake, Hiroshima 739-0693 (Japan)

    2010-11-24

    Major challenges associated with 193 nm lithography using an ArF photoresist are low plasma resistance and roughness formation in the ArF photoresist during plasma processes. We have previously found decisive factors affecting the plasma resistance and roughness formation in an ArF photoresist: plasma resistance is determined by UV/VUV radiation, and roughness formation is dominated by chemical reactions. In this study, based on our findings on the interaction between plasma radiation species and ArF photoresist polymers, we proposed an ArF photoresist with a chemical reaction inhibitor, which can trap reactive species from the plasma, and characterized the performances of the resultant ArF photoresist through neutral beam experiments. Hindered amine light stabilizers, i.e. 4-hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxy (HO-TEMPO), were used as the chemical reaction inhibitor. Etching rates of the ArF photoresist films were not dependent on the HO-TEMPO content in the irradiations without chemical reactions or under UV/VUV radiation. However, in the irradiation with chemical reactions, the etching rates of the ArF photoresist films decreased as the HO-TEMPO content increased. In addition, the surface roughness decreased with the increase in the additive amount of chemical reaction inhibitor. According to FTIR analysis, a chemical reaction inhibitor can inhibit the chemical reactions in ArF photoresist films through plasma radicals. These results indicate that a chemical reaction inhibitor is effective against chemical reactions, resulting in improved plasma resistance and less roughness in an ArF photoresist. These results also support our suggested mechanism of plasma resistance and roughness formation in an ArF photoresist.

  16. Nonlinear Alfvén wave dynamics in plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Sarkar, Anwesa; Chakrabarti, Nikhil [Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700 064 (India); Schamel, Hans [Theoretical Physics, University of Bayreuth, D-95440 Bayreuth (Germany)

    2015-07-15

    Nonlinear Alfvén wave dynamics is presented using Lagrangian fluid approach in a compressible collisional magnetized plasma. In the framework of two fluid dynamics, finite electron inertia is shown to serve as a dispersive effect acting against the convective nonlinearity. In a moving frame, the Alfvén wave can, therefore, form an arbitrarily strong amplitude solitary wave structure due to the balance between nonlinearity and dispersion. Weak amplitude Alfvén waves are shown to be governed by a modified KdV equation, which extends for finite dissipation to a mKdV-Burgers equation. These equations have well known solutions. Next, we have analyzed the fourth order nonlinear Alfvén wave system of equations both numerically and by approximation method. The results indicate a collapse of the density and magnetic field irrespective of the presence of dispersion. The wave magnetic field, however, appears to be less singular showing collapse only when the dispersive effects are negligible. These results may contribute to our understanding of the generation of strongly localized magnetic fields (and currents) in plasmas and are expected to be of special importance in the astrophysical context of magnetic star formation.

  17. Nonlinear Alfvén wave dynamics in plasmas

    Science.gov (United States)

    Sarkar, Anwesa; Chakrabarti, Nikhil; Schamel, Hans

    2015-07-01

    Nonlinear Alfvén wave dynamics is presented using Lagrangian fluid approach in a compressible collisional magnetized plasma. In the framework of two fluid dynamics, finite electron inertia is shown to serve as a dispersive effect acting against the convective nonlinearity. In a moving frame, the Alfvén wave can, therefore, form an arbitrarily strong amplitude solitary wave structure due to the balance between nonlinearity and dispersion. Weak amplitude Alfvén waves are shown to be governed by a modified KdV equation, which extends for finite dissipation to a mKdV-Burgers equation. These equations have well known solutions. Next, we have analyzed the fourth order nonlinear Alfvén wave system of equations both numerically and by approximation method. The results indicate a collapse of the density and magnetic field irrespective of the presence of dispersion. The wave magnetic field, however, appears to be less singular showing collapse only when the dispersive effects are negligible. These results may contribute to our understanding of the generation of strongly localized magnetic fields (and currents) in plasmas and are expected to be of special importance in the astrophysical context of magnetic star formation.

  18. Plasma charging and electron-based reactions at the plasma-liquid interface of an isolated liquid droplet

    Science.gov (United States)

    Maguire, Paul; Mahony, Charles; Kelsey, Colin; Rutherford, David; Mariotti, Davide; Diver, Declan

    2016-09-01

    The study of plasma-liquid interactions opens up exciting new opportunities for applications but numerous investigative challenges remain. The use of isolated and stable spherical liquid microdroplets in a non-thermal equilibrium atmospheric pressure plasma offers a new platform for experimental and theoretical investigations. Since the droplet assumes floating potential, a high flux of electrons with low net energy ( thermal) becomes fixed and solvated within the first monolayers of the liquid leading to highly reactive and rapid chemical reactions. We observe such reactions, e.g. H2 O2 and metal nanoparticle formation, at rates that are much higher than reported elsewhere. Since the isolated droplet radius is greater than Debye lengths and mean free paths, we have an opportunity to directly compare, for the first time, long-standing collisional probe theories in this important regime. We measure a lower bound average charge of >1E5 electrons on a 13um droplet. Simulations of unipolar corona charging for this size predict 1E3 electrons. A Comsol-based drift-diffusion model is currently under development and so far experiment and theory match within 1 order of magnitude but improvements in measurement technique are in progress. Funding from EPSRC acknowledged (Grants EP/K006088/1 and EP/K006142/1).

  19. Effect of the radiation reaction in classical regimes of interaction of ultra-strong electromagnetic fields with plasmas

    Science.gov (United States)

    Capdessus, R.; d'Humières, E.; Tikhonchuk, V. T.

    2013-05-01

    Radiation energy losses of electrons in ultra-intense laser fields constitute a process of major importance when considering laser-matter interaction at intensities of the order of and above 1022 W/cm2. Radiation losses can strongly modify the electron (and ion) dynamics, and are associated with intense and directional emission of high energy photons. Accounting for such effects is therefore necessary for modeling of, electron and ion acceleration and creation of secondary photon on the forthcoming ultra-high power laser facilities. To account for radiation losses in the particle-in-cell code PICLS, we have introduced the radiation friction force using a renormalized Lorentz-Abraham-Dirac model.10 Here, we present a study of the effect of radiation friction on the electron and photon energy distribution in a semi-infinite and overdense plasma. A possibillity to create a collisonless shock using an ultra intense laser field, in the context of laboratory astrophysics is discussed. The influence of the radiation reaction on the plasma dynamics is demonstrated.

  20. Gaseous hydrocarbon production by the reaction of coal char with hydrogen plasma at relatively lower microwave power

    Energy Technology Data Exchange (ETDEWEB)

    Matsumoto, S.; Nishikubo, K.; Imamura, T. [Kyushu National Industrial Research Institute, Tosu (Japan)

    1998-07-01

    Experimental conditions such as reaction temperature, microwave power and reaction pressure were changed in the reaction of carbon with hydrogen plasma. Methane was major product and other hydrocarbons such as acetylene and C2-C4 hydrocarbons were also produced. Methane production shows its maximum at 700-900 K and at 30W of microwave power. 2 figs.

  1. Modelling chemical reactions in dc plasma inside oxygen bubbles in water

    Science.gov (United States)

    Takeuchi, N.; Ishii, Y.; Yasuoka, K.

    2012-02-01

    Plasmas generated inside oxygen bubbles in water have been developed for water purification. Zero-dimensional numerical simulations were used to investigate the chemical reactions in plasmas driven by dc voltage. The numerical and experimental results of the concentrations of hydrogen peroxide and ozone in the solution were compared with a discharge current between 1 and 7 mA. Upon increasing the water vapour concentration inside bubbles, we saw from the numerical results that the concentration of hydrogen peroxide increased with discharge current, whereas the concentration of ozone decreased. This finding agreed with the experimental results. With an increase in the discharge current, the heat flux from the plasma to the solution increased, and a large amount of water was probably vaporized into the bubbles.

  2. Thermonuclear breakup reactions of light nuclei. I - Processes and effects. [in astrophysic plasmas

    Science.gov (United States)

    Guessoum, Nidhal; Gould, Robert J.

    1989-01-01

    Temperature and density conditions are considered for the occurrence of breakup reactions of light nuclei in astrophysical plasmas. The proton-induced endothermic process is shown to be the principal mechanism for nuclear breakdown in a plasma. The phenomenon occurs at a temperature of about 1 MeV, which is a fraction of the typical binding energy per nucleon in nuclei. The temperature for breakup of He-4 is about twice as large, because of the higher binding energy. Depending on the temperature attained in the plasma, the initial concentration of elements heavier than hydrogen can be depleted. However, if it attains a temperature of about 1 MeV, breaking up the metals (C, N, O, Ne, Mg) but not He-4, an increase in the He-4 abundance by as much as 10 percent can result, since these elements essentially break down to alpha particles.

  3. Relationship between plasma membrane Ca2+-ATPase activity and acrosome reaction in guinea pig sperm

    Institute of Scientific and Technical Information of China (English)

    李明文; 陈大元

    1996-01-01

    The results obtained by biochemical measurement demonstrated for the first time that significant decrease of the plasma membrane Ca2+-ATPase activity occurred during capacitation and acrosome reaction of guinea pig sperm. Ethaorynic acid, one kind of Ca2+-ATPase antagonists, inhibited the plasma membrane Ca2+-ATPase activity, but calmodulin (50μg/mL) and trifluoperazine (200- 500μmol/L) did not, suggesting that calmodulin is not involved in ATP-driven Ca2+ efflux from sperm. However, calmodulin is involved in the control of Ca2+ influx. TFP, one kind of calmodulin antagonists, accelerated the acrosome reaction and Ca2+ uptake into sperm cells significantly. Ca2+-ATPase antagonists, quercetin, sodium orthovandate, furosemide and ethacrynic acid promoted the acrosome reaction, but inhibited Ca2+ uptake, which cannot be explained by their inhibitory effects on the plasma membrane Ca2+-ATPase activity. It is speculated that this phenomenon might be caused by simultaneous inhibitions of the activities of C

  4. Reaction of Np atom with H₂O in the gas phase: reaction mechanisms and ab initio molecular dynamics study.

    Science.gov (United States)

    Li, Peng; Niu, Wenxia; Gao, Tao; Wang, Hongyan

    2014-10-01

    The gas-phase reaction of an Np atom with H2O was investigated using density functional theory and ab initio molecular dynamics. The reaction mechanisms and the corresponding potential energy profiles for different possible spin states were analyzed. Three reaction channels were found in the mechanism study: the isomerization channel, the H2 elimination channel, and the H atom elimination channel. The latter two were observed in the dynamics simulation. It was found that the branching ratio of the title reaction depends on the initial kinetic energy along the transition vector. Product energy distributions for the reaction were evaluated by performing direct classical trajectory calculations on the lowest sextet potential energy surface. The results indicate that most of the available energy appears as the translational energy of the products. The overall results indicate that the H2 elimination channel with low kinetic energy is thermodynamically favored but competes with the H atom elimination channel with higher kinetic energy.

  5. DC Thermal Plasma Design and Utilization for the Low Density Polyethylene to Diesel Oil Pyrolysis Reaction

    Directory of Open Access Journals (Sweden)

    Hossam A. Gabbar

    2017-06-01

    Full Text Available The exponential increase of plastic production produces 100 million tonnes of waste plastics annually which could be converted into hydrocarbon fuels in a thermal cracking process called pyrolysis. In this research work, a direct current (DC thermal plasma circuit is designed and used for conversion of low density polyethylene (LDPE into diesel oil in a laboratory scale pyrolysis reactor. The experimental setup uses a 270 W DC thermal plasma at operating temperatures in the range of 625 °C to 860 °C for a low density polyethylene (LDPE pyrolysis reaction at pressure = −0.95, temperature = 550 °C with τ = 30 min at a constant heating rate of 7.8 °C/min. The experimental setup consists of a vacuum pump, closed system vessel, direct current (DC plasma circuit, and a k-type thermocouple placed a few millimeters from the reactant sample. The hydrocarbon products are condensed to diesel oil and analyzed using flame ionization detector (FID gas chromatography. The analysis shows 87.5% diesel oil, 1,4-dichlorobenzene (Surr, benzene, ethylbenzene and traces of toluene and xylene. The direct current (DC thermal plasma achieves 56.9 wt. % of diesel range oil (DRO, 37.8 wt. % gaseous products and minimal tar production. The direct current (DC thermal plasma shows reliability, better temperature control, and high thermal performance as well as the ability to work for long operation periods.

  6. X-Point Effect on Plasma Blob Dynamics.

    Science.gov (United States)

    Avino, F; Fasoli, A; Furno, I; Ricci, P; Theiler, C

    2016-03-11

    Plasma blob dynamics on the high-field side in the proximity of a magnetic field null (X point) is investigated in TORPEX. A significant acceleration of the blobs towards the X point is observed. Close to the X point the blobs break apart. The E×B drifts associated with the blobs are measured, isolating the background drift component from the fluctuating contribution of the blob internal potential dipole. The time evolution of the latter is consistent with the fast blob dynamics. An analytical model based on charge conservation is derived for the potential dipole, including ion polarization, diamagnetic, and parallel currents. In the vicinity of the X point, a crucial role in determining the blob motion is played by the decrease of the poloidal magnetic field intensity. This variation increases the connection length that short circuits the potential dipole of the blob. Good quantitative agreement is found between the model and the experimental data in the initial accelerating phase of the blob dynamics.

  7. Static and dynamic characteristics of plasma detachment in gas target scheme

    Energy Technology Data Exchange (ETDEWEB)

    Ezumi, N.; Tanaka, M.; Mori, S.; Ohno, N.; Takagi, M.; Takamura, S. [Nagoya Univ. (Japan); Suzuki, H.

    1997-12-31

    A simulated gas target divertor experiment has been performed to investigate fundamental physics of plasma detachment in the linear plasma device, TPD-I, which has a high heat flux and high density plasma in steady and pulse state. The existence of density threshold for plasma detachment was observed in our experiment. It is found that the electron-ion temperature relaxation process is a key to determine the density dependence of the plasma detachment. Furthermore, the preliminary experimental results for dynamic behavior of the detached plasma for heat pulse plasma are shown. (author)

  8. Ab initio dynamics of the cytochrome P450 hydroxylation reaction

    Energy Technology Data Exchange (ETDEWEB)

    Elenewski, Justin E.; Hackett, John C, E-mail: jchackett@vcu.edu [Department of Physiology and Biophysics and The Massey Cancer Center, School of Medicine, Virginia Commonwealth University, 401 College Street, Richmond, Virginia 23219-1540 (United States)

    2015-02-14

    The iron(IV)-oxo porphyrin π-cation radical known as Compound I is the primary oxidant within the cytochromes P450, allowing these enzymes to affect the substrate hydroxylation. In the course of this reaction, a hydrogen atom is abstracted from the substrate to generate hydroxyiron(IV) porphyrin and a substrate-centered radical. The hydroxy radical then rebounds from the iron to the substrate, yielding the hydroxylated product. While Compound I has succumbed to theoretical and spectroscopic characterization, the associated hydroxyiron species is elusive as a consequence of its very short lifetime, for which there are no quantitative estimates. To ascertain the physical mechanism underlying substrate hydroxylation and probe this timescale, ab initio molecular dynamics simulations and free energy calculations are performed for a model of Compound I catalysis. Semiclassical estimates based on these calculations reveal the hydrogen atom abstraction step to be extremely fast, kinetically comparable to enzymes such as carbonic anhydrase. Using an ensemble of ab initio simulations, the resultant hydroxyiron species is found to have a similarly short lifetime, ranging between 300 fs and 3600 fs, putatively depending on the enzyme active site architecture. The addition of tunneling corrections to these rates suggests a strong contribution from nuclear quantum effects, which should accelerate every step of substrate hydroxylation by an order of magnitude. These observations have strong implications for the detection of individual hydroxylation intermediates during P450 catalysis.

  9. Can post-error dynamics explain sequential reaction time patterns?

    Directory of Open Access Journals (Sweden)

    Stephanie eGoldfarb

    2012-07-01

    Full Text Available We investigate human error dynamics in sequential two-alternative choice tasks. When subjects repeatedly discriminate between two stimuli, their error rates and mean reaction times (RTs systematically depend on prior sequences of stimuli. We analyze these sequential effects on RTs, separating error and correct responses, and identify a sequential RT tradeoff: a sequence of stimuli which yields a relatively fast RT on error trials will produce a relatively slow RT on correct trials and vice versa. We reanalyze previous data and acquire and analyze new data in a choice task with stimulus sequences generated by a first-order Markov process having unequal probabilities of repetitions and alternations. We then show that relationships among these stimulus sequences and the corresponding RTs for correct trials, error trials, and averaged over all trials are significantly influenced by the probability of alternations; these relationships have not been captured by previous models. Finally, we show that simple, sequential updates to the initial condition and thresholds of a pure drift diffusion model can account for the trends in RT for correct and error trials. Our results suggest that error-based parameter adjustments are critical to modeling sequential effects.

  10. Isospin dynamics on neck fragmentation in isotopic nuclear reactions

    CERN Document Server

    Feng, Zhao-Qing

    2016-01-01

    The neck dynamics in Fermi-energy heavy-ion collisions, to probe the nuclear symmetry energy in the domain of sub-saturation densities, is investigated within an isospin dependent transport model. The single and double ratios of neutron/proton from free nucleons and light clusters (complex particles) in the isotopic reactions are analyzed systematically. Isospin effects of particles produced from the neck fragmentations are explored, which are constrained within the midrapidities ($|y/y_{proj}|<$0.3) and azimuthal angles (70$^{o}\\sim$110$^{o}$, 250$^{o}\\sim$290$^{o}$) in semiperipheral nuclear collisions. It is found that the ratios of the energetic isospin particles strongly depend on the stiffness of nuclear symmetry energy and the effects increase with softening the symmetry energy, which would be a nice probe for extracting the symmetry energy below the normal density in experimentally. A flat structure appears at the tail spectra from the double ratio distributions. The neutron to proton ratio of ligh...

  11. Dynamics of plasma levels of specific IgE in chlorhexidine allergic patients with and without accidental re-exposure

    DEFF Research Database (Denmark)

    Opstrup, M S; Poulsen, L K; Malling, H J;

    2016-01-01

    BACKGROUND: Chlorhexidine is an effective disinfectant, which may cause severe allergic reactions. Plasma level of specific IgE to chlorhexidine (ImmunoCAP(®) ) has high estimated sensitivity and specificity when measured within 6 months of allergic reaction, but knowledge of the dynamics over...... longer time periods is lacking and it is unknown whether levels fall below IgE. OBJECTIVE: To investigate the dynamics of specific IgE in chlorhexidine allergic patients...... several years. RESULTS: Overall, 23 patients were included. Specific IgE within hours of reaction was available in eight patients and was >0.35 kUA/L in six of these. During allergy investigations, usually 2-4 months later, specific IgE was >0.35 kUA/L in 22 of 23 patients. In the following months...

  12. Understanding the dynamics of the inductive plasma formation and its application to create doublet shaped plasma in the TCV tokamak

    Science.gov (United States)

    Sinha, Joyeeta; Coda, Stefano; Duval, Basil Paul; Galperti, Cristian; Moret, Jean-Marc; Reimerdes, Holger

    2016-10-01

    The dynamics of the plasma formation in TCV are revisited with the goal of improving reliability and developing new scenarios such as the creation of doublet configurations. A database for the plasma formation scenarios in TCV reveals that 15% of the attempts to form a plasma fail during the burn-through phase. Plasma formation dynamics are greatly affected by the difference between programmed and obtained plasma current ramp rates that can lead to oscillations in IP when the IP feedback control is activated. This mismatch in IP also propagates into the radial position control. Failed burn-throughs occur when the Ohmic heating power is insufficient either since IP rises too slow or due to a combined effect of the IP feedback oscillations and a regularly occurring MHD instability. Several strategies to improve the present plasma formation scenario have been implemented. Based on the improved understanding of the plasma formation dynamics, a strategy has been developed to create and control a doublet configuration by merging of two droplet-shaped plasma requiring simultaneous breakdown at two locations.

  13. Detailed Molecular Dynamics of the Photochromic Reaction of Spiropyran: A Semiclassical Dynamics Study

    Directory of Open Access Journals (Sweden)

    Gaohong Zhai

    2014-01-01

    Full Text Available A realistic semiclassical dynamics simulation study is reported for the photoinduced ring-opening reaction of spiropyran. The main simulation results show that one pathway involves hydrogen out-of-plane (HOOP torsion of phenyl ring nearby N atom in 254 fs on the excited state and the isomerization from cis- to trans-SP that is complete in about 10 ps on the ground state after the electron transition πσ*; the other dominate pathway corresponds to the ring-opening reaction of trans-SP to form the most stable merocyanine (MC product. Unlike the previous theoretical finding, one C−C bond cleavage on the real molecule rather than the C−N dissociation of the model one is more probable than the ring-opening reaction after the photoexcitation of SP. The simulation findings provide more important complementarity for interpreting experimental observations, confirming the previously theoretical studies of photochromic ring-opening process and even supplying other possible reaction mechanisms.

  14. Dynamic compressive and tensile strengths of spark plasma sintered alumina

    Science.gov (United States)

    Girlitsky, I.; Zaretsky, E.; Kalabukhov, S.; Dariel, M. P.; Frage, N.

    2014-06-01

    Fully dense submicron grain size alumina samples were manufactured from alumina nano-powder using Spark Plasma Sintering and tested in two kinds of VISAR-instrumented planar impact tests. In the first kind, samples were loaded by 1-mm tungsten impactors, accelerated to a velocity of about 1 km/s. These tests were aimed at studying the Hugoniot elastic limit (HEL) of Spark Plasma Sintering (SPS)-processed alumina and the decay, with propagation distance, of the elastic precursor wave. In the tests of the second kind, alumina samples of 3-mm thickness were loaded by 1-mm copper impactors accelerated to 100-1000 m/s. These tests were aimed at studying the dynamic tensile (spall) strength of the alumina specimens. The tensile fracture of the un-alloyed alumina shows a monotonic decline of the spall strength with the amplitude of the loading stress pulse. Analysis of the decay of the elastic precursor wave allowed determining the rate of the irreversible (inelastic) strains in the SPS-processed alumina at the initial stages of the shock-induced inelastic deformation and to clarify the mechanisms responsible for the deformation. The 1-% addition of Cr2O3 decreases the HEL of the SPS-processed alumina by 5-% and its spall strength by 50% but barely affects its static properties.

  15. Molecular Dynamics Simulations of Chemical Reactions for Use in Education

    Science.gov (United States)

    Qian Xie; Tinker, Robert

    2006-01-01

    One of the simulation engines of an open-source program called the Molecular Workbench, which can simulate thermodynamics of chemical reactions, is described. This type of real-time, interactive simulation and visualization of chemical reactions at the atomic scale could help students understand the connections between chemical reaction equations…

  16. Molecular Dynamics Simulations of Chemical Reactions for Use in Education

    Science.gov (United States)

    Qian Xie; Tinker, Robert

    2006-01-01

    One of the simulation engines of an open-source program called the Molecular Workbench, which can simulate thermodynamics of chemical reactions, is described. This type of real-time, interactive simulation and visualization of chemical reactions at the atomic scale could help students understand the connections between chemical reaction equations…

  17. The Dynamics of an Isolated Plasma Filament at the Edge of a Toroidal Device, Rev. 1

    Energy Technology Data Exchange (ETDEWEB)

    Ryutov, D D

    2006-09-28

    The dynamics of an isolated plasma filament (an isolated blob) in the far scrape-off layer (SOL) of a toroidal device is described, with a proper averaging of the geometrical parameters as well as plasma parameters along the filament. The analysis is limited to the magnetohydrodynamic description. The effects of the anchored ends and finite plasma resistivity are also discussed.

  18. INTERACTION OF LASER RADIATION WITH MATTER. LASER PLASMA: Composition and dynamics of an erosion plasma produced by microsecond laser pulses

    Science.gov (United States)

    Anisimov, V. N.; Grishina, V. G.; Derkach, O. N.; Sebrant, A. Yu; Stepanova, M. A.

    1995-08-01

    The ion and energy compositions were determined and the dynamics was studied of an erosion plume formed by microsecond CO2 laser pulses incident on a graphite target. The ionic emission lines were used to find the electron density and temperature of the plasma on the target surface. The temperature of the plasma source did not change throughout the line emission time (4 μs). At the plasma recombination stage the lines of the C II, C III, and C IV ions were accompanied by bands of the C2 molecule near the target surface and also near the surface of an substrate when a plasma flow interacted with it. Ways were found for controlling the plume expansion anisotropy and for producing plasma flows with controlled parameters by selection of the conditions during formation of a quasisteady erosion plasma flow.

  19. Dynamical resonance in F+H2 chemical reaction and rotational excitation effect

    Institute of Scientific and Technical Information of China (English)

    YANG XueMing; XIE DaiQian; ZHANG DongHui

    2007-01-01

    Reaction resonance is a frontier topic in chemical dynamics research, and it is also essential to the understanding of mechanisms of elementary chemical reactions. This short article describes an important development in the frontier of research. Experimental evidence of reaction resonance has been detected in a full quantum state resolved reactive scattering study of the F+H2 reaction. Highly accurate full quantum scattering theoretical modeling shows that the reaction resonance is caused by two Feshbach resonance states. Further studies show that quantum interference is present between the two resonance states for the forward scattering product. This study is a significant step forward in our understanding of chemical reaction resonance in the benchmark F+H2 system. Further experimental studies on the effect of H2 rotational excitation on dynamical resonance have been carried out. Dynamical resonance in the F+H2 (j = 1) reaction has also been observed.

  20. Conversion of Methane to C2 Hydrocarbons via Cold Plasma Reaction

    Institute of Scientific and Technical Information of China (English)

    Baowei Wang; Genhui Xu

    2003-01-01

    Direct conversion of methane to C2 hydrocarbons via cold plasma reaction with catalysts has been studied at room temperature and atmospheric pressure. Methane can be converted into C2 hydrocarbons in different selectivity depending on the form of the reactor, power of plasma, flow rate of methane, ratio of N2/CH4 and nature of the catalysts. The selectivity to C2 hydrocarbons can reach as high as 98.64%, and the conversion of methane as high as 60% and the yield of C2 hydrocarbons as high as 50% are obtained. Coking can be minimized under the conditions of: proper selection of the catalysts,appropriate high flow rate of inlet methane and suitable ratio of N2 to CH4. The catalyst surface provides active sites for radical recombination.

  1. Discharge dynamics and plasma density recovery by on/off switches of additional gas

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hyo-Chang, E-mail: lhc@kriss.re.kr [Center for Vacuum Technology, Korea Research Institute of Standard and Science, Daejeon 305-340 (Korea, Republic of); Department of Electrical Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763 (Korea, Republic of); Kwon, Deuk-Chul [Plasma Technology Research Center, Nation Fusion Research Institute, Gunsan 573-540 (Korea, Republic of); Oh, SeungJu; Kang, Hyun-Ju; Kim, Yu-Sin; Chung, Chin-Wook, E-mail: joykang@hanyang.ac.kr [Department of Electrical Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763 (Korea, Republic of)

    2016-06-15

    Measurement of the plasma density is investigated to study plasma dynamics by adding reactive gas (O{sub 2}) or rare gas (He) in Ar plasmas. When the O{sub 2} or He gas is added, plasma density is suddenly decreased, while the plasma density recovers slowly with gas off. It is found that the recovery time is strongly dependent on the gas flow rate, and it can be explained by effect of gas residence time. When the He gas is off in the Ar plasma, the plasma density is overshot compared to the case of the O{sub 2} gas pulsing due to enhanced ionizations by metastable atoms. Analysis and calculation for correlation between the plasma density dynamics and the gas pulsing are also presented in detail.

  2. Physical chemistry of reaction dynamics in ionic liquid

    Energy Technology Data Exchange (ETDEWEB)

    Maroncelli, Mark [Pennsylvania State Univ., University Park, PA (United States)

    2016-10-02

    Work completed over the past year mainly involves finishing studies related to solvation dynamics in ionic liquids, amplifying and extending our initial PFG-NMR work on solute diffusion, and learning how to probe rotational dynamics in ionic liquids.

  3. Physical Chemistry of Reaction Dynamics in Ionic Liquid

    Energy Technology Data Exchange (ETDEWEB)

    Maroncelli, Mark [Pennsylvania State Univ., University Park, PA (United States)

    2016-10-02

    Work completed over the past year mainly involves finishing studies related to solvation dynamics in ionic liquids, amplifying and extending our initial PFG-NMR work on solute diffusion, and learning how to probe rotational dynamics in ionic liquids.

  4. Dynamic effects on the stretching of the magnetic field by a plasma flow

    Energy Technology Data Exchange (ETDEWEB)

    Nunez, Manuel [Departamento de Analisis Matematico, Universidad de Valladolid, 47005 Valladolid (Spain)

    2003-08-22

    A key mechanism in the growth of magnetic energy in kinematic dynamos is the stretching of the magnetic field vector by making it point in an unstable direction of the strain matrix. Our objective is to study whether this feature may be maintained in an ideal plasma when also considering the back reaction of the magnetic field upon the flow through the Lorentz force. Several effects occur: in addition to the nonlocal ones exerted by the total pressure, a complex geometry of magnetic field lines decreases the rate of growth of magnetic energy, rotation of the flow enhances it and above all the rate of growth decreases with minus the square of the eigenvalue associated with the magnetic field direction. Thus local dynamics tend to rapidly quench the stretching of the field.

  5. A Laboratory Plasma Experiment for Studying Magnetic Dynamics of Accretion Discs and Jets

    OpenAIRE

    Hsu, S. C.; Bellan, P. M.

    2002-01-01

    This work describes a laboratory plasma experiment and initial results which should give insight into the magnetic dynamics of accretion discs and jets. A high-speed multiple-frame CCD camera reveals images of the formation and helical instability of a collimated plasma, similar to MHD models of disc jets, and also plasma detachment associated with spheromak formation, which may have relevance to disc winds and flares. The plasmas are produced by a planar magnetized coaxial gun. The resulting...

  6. Potential plasma markers of type 1 and type 2 leprosy reactions: a preliminary report

    Directory of Open Access Journals (Sweden)

    Oliveira Maria

    2009-05-01

    Full Text Available Abstract Background The clinical management of leprosy Type 1 (T1R and Type 2 (T2R reactions pose challenges mainly because they can cause severe nerve injury and disability. No laboratory test or marker is available for the diagnosis or prognosis of leprosy reactions. This study simultaneously screened plasma factors to identify circulating biomarkers associated with leprosy T1R and T2R among patients recruited in Goiania, Central Brazil. Methods A nested case-control study evaluated T1R (n = 10 and TR2 (n = 10 compared to leprosy patients without reactions (n = 29, matched by sex and age-group (+/- 5 years and histopathological classification. Multiplex bead based technique provided profiles of 27 plasma factors including 16 pro inflammatory cytokines: tumor necrosis factor-α (TNF-α, Interferon-γ (IFN-γ, interleukin (IL- IL12p70, IL2, IL17, IL1 β, IL6, IL15, IL5, IL8, macrophage inflammatory protein (MIP-1 alpha (MIP1α, 1 beta (MIP1β, regulated upon activation normal T-cell expressed and secreted (RANTES, monocyte chemoattractrant protein 1 (MCP1, CC-chemokine 11 (CCL11/Eotaxin, CXC-chemokine 10 (CXCL10/IP10; 4 anti inflammatory interleukins: IL4, IL10, IL13, IL1Rα and 7 growth factors: IL7, IL9, granulocyte-colony stimulating factor (G-CSF, granulocyte macrophage-colony stimulating factor (GM-CSF, platelet-derived growth factor BB (PDGF BB, basic fibroblast growth factor (bFGF, vascular endothelial growth factor (VEGF. Results Elevations of plasma CXCL10 (P = 0.004 and IL6 (p = 0.013 were observed in T1R patients compared to controls without reaction. IL6 (p = 0.05, IL7 (p = 0.039, and PDGF-BB (p = 0.041 were elevated in T2R. RANTES and GMCSF were excluded due to values above and below detection limit respectively in all samples. Conclusion Potential biomarkers of T1R identified were CXCL10 and IL6 whereas IL7, PDGF-BB and IL6, may be laboratory markers of TR2. Additional studies on these biomarkers may help understand the

  7. Energetics and Dynamics of the Reactions of O(3P) with Dimethyl Methylphosphonate and Saria

    Science.gov (United States)

    2009-09-15

    a SN2 -like transition geometry, Figure 3c, the axial O-C-H bond angle is slightly bent more for reaction 4, Figure 3d. The products of reaction 4 are...Energetics and Dynamics of the Reactions of O(3P) with Dimethyl Methylphosphonate and Sarin Patrick F. Conforti and Matthew Braunstein* Spectral...calculations were performed on the reaction systems O(3P) + sarin and O(3P) + dimethyl methylphosphonate (DMMP), a sarin simulant. Transition state

  8. Reaction dynamics: The view from a transition state

    Science.gov (United States)

    Continetti, Robert E.

    2017-10-01

    Ejecting electrons from negative ions using light can create structures that very closely resemble the transition states of bimolecular reactions. Now, using this technique, trapped quantum states, or 'resonances', have been observed in a seven-atom reaction, and theory has been shown to be up to the task of capturing such complex phenomena.

  9. Dynamic outgassing of deuterium, helium and nitrogen from plasma-facing materials under DEMO relevant conditions

    Science.gov (United States)

    Möller, S.; Matveev, D.; Martynova, Y.; Unterberg, B.; Rasinski, M.; Wegener, T.; Kreter, A.; Linsmeier, Ch.

    2017-01-01

    In confined plasma magnetic fusion devices significant amounts of the hydrogen isotopes used for the fusion reaction can be stored in the plasma-facing materials by implantation. The desorption of this retained hydrogen was seen to follow a t α law with α  ≈  -0.7 in tokamaks. For a pulsed fusion reactor this outgassing can define the inter-pulse waiting time. This work presents new experimental data on the dynamic outgassing in ITER grade tungsten exposed under the well-defined conditions of PSI-2 to pure and mixed D2 plasmas. A peak ion flux of 1022 D+ m-2 s is applied for up to 6 h at sample temperatures of up to 900 K. Pure D2 and mixed D2  +  He, D2  +  N2 and D2  +  He  +  N2 plasmas are applied to the sample at 68 V bias. The D2, He, N outgassing at 293 K and 580 k are observed via in-vacuo quadrupole mass spectrometry covering the range of 40 s-200 000 s after exposure. The outgassing decay follows a single power law with exponents α  =  -0.7  to  -1.1 at 293 K, but at 580 K a drop from α  =  -0.25 to  -2.35 is found. For DEMO a pump-down time to 0.5 mPa in the order of 1-5 h can be expected. The outgassing is in all cases dominated by D2.

  10. Density Functional Theory and MP2 Calculations of the Transition States and Reaction Paths on Coupling Reaction of Methane through Plasma

    Institute of Scientific and Technical Information of China (English)

    YANG,En-Cui(杨恩翠); ZHAO,Xiao-Jun(赵小军); TIAN,Peng(田鹏); HAO,Jin-Ku(郝金库)

    2004-01-01

    The two possible reaction paths of producing ethane on coupling reaction of methane through plasma were theoretically investigated by B3LYP and MP2 methods with 6-311G* respectively and further compared with the previous results calculated from B3LYP/6-31G*.The new investigated results consistently confirmed the previous conclusion.And the influences of the calculation methods and basis sets on the calculated results were also discussed.

  11. State-to-state dynamics of elementary chemical reactions using Rydberg H-atom translational spectroscopy

    Science.gov (United States)

    Yang, Xueming

    In this review, a few examples of state-to-state dynamics studies of both unimolecular and bimolecular reactions using the H-atom Rydberg tagging TOF technique were presented. From the H2O photodissociation at 157 nm, a direction dissociation example is provided, while photodissociation of H2O at 121.6 has provided an excellent dynamical case of complicated, yet direct dissociation process through conical intersections. The studies of the O(1D) + H2 → OH + H reaction has also been reviewed here. A prototype example of state-to-state dynamics of pure insertion chemical reaction is provided. Effect of the reagent rotational excitation and the isotope effect on the dynamics of this reaction have also been investigated. The detailed mechanism for abstraction channel in this reaction has also been closely studied. The experimental investigations of the simplest chemical reaction, the H3 system, have also been described here. Through extensive collaborations between theory and experiment, the mechanism for forward scattering product at high collision energies for the H + HD reaction was clarified, which is attributed to a slow down mechanism on the top of a quantized barrier transition state. Oscillations in the product quantum state resolved different cross sections have also been observed in the H + D2 reaction, and were attributed to the interference of adiabatic transition state pathways from detailed theoretical analysis. The results reviewed here clearly show the significant advances we have made in the studies of the state-to-state molecular reaction dynamics.

  12. Dynamic Reaction Mechanisms of ClO(-) with CH3Cl: Comparison Between Direct Dynamics Trajectory Simulations and Experiment.

    Science.gov (United States)

    Yu, Feng

    2016-03-24

    We have investigated the dynamic reaction mechanisms of *ClO¯ with CH3Cl (the asterisk is utilized to label a different Cl atom). Ab initio molecular dynamics simulations at the MP2/6-31+G(d,p) level of theory have been employed to compute the dynamic trajectories. On the basis of our simulations, the dynamic reaction pathways for the bimolecular nucleophilic substitution (SN2) reaction channel and SN2-induced elimination reaction channel are clearly illustrated. For the SN2 reaction channel, some trajectories directly dissociate to the final products of CH3O*Cl and Cl¯, whereas the others involve the dynamic Cl¯···CH3O*Cl intermediate complex. As to the SN2-induced elimination reaction channel, the trajectories lead to the final products of CH2O, HCl, and *Cl¯ through the dynamic Cl¯···CH3O*Cl intermediate complex. More significantly, the product branching ratios of Cl¯ and *Cl¯ predicted by our simulations are basically consistent with previous experimental results (Villano et al. J. Am. Chem. Soc. 2009, 131, 8227-8233).

  13. Electron dynamics and plasma jet formation in a helium atmospheric pressure dielectric barrier discharge jet

    Energy Technology Data Exchange (ETDEWEB)

    Algwari, Q. Th. [Centre for Plasma Physics, School of Maths and Physics, Queen' s University Belfast, University Road, Belfast, Northern Ireland BT7 1NN (United Kingdom); Electronic Department, College of Electronics Engineering, Mosul University, Mosul 41002 (Iraq); O' Connell, D. [Centre for Plasma Physics, School of Maths and Physics, Queen' s University Belfast, University Road, Belfast, Northern Ireland BT7 1NN (United Kingdom); York Plasma Institute, Department of Physics, University of York, York YO10 5DD (United Kingdom)

    2011-09-19

    The excitation dynamics within the main plasma production region and the plasma jets of a kHz atmospheric pressure dielectric barrier discharge (DBD) jet operated in helium was investigated. Within the dielectric tube, the plasma ignites as a streamer-type discharge. Plasma jets are emitted from both the powered and grounded electrode end; their dynamics are compared and contrasted. Ignition of these jets are quite different; the jet emitted from the powered electrode is ignited with a slight time delay to plasma ignition inside the dielectric tube, while breakdown of the jet at the grounded electrode end is from charging of the dielectric and is therefore dependent on plasma production and transport within the dielectric tube. Present streamer theories can explain these dynamics.

  14. Dual control cell reaction ensemble molecular dynamics: A method for simulations of reactions and adsorption in porous materials

    Science.gov (United States)

    Lísal, Martin; Brennan, John K.; Smith, William R.; Siperstein, Flor R.

    2004-09-01

    We present a simulation tool to study fluid mixtures that are simultaneously chemically reacting and adsorbing in a porous material. The method is a combination of the reaction ensemble Monte Carlo method and the dual control volume grand canonical molecular dynamics technique. The method, termed the dual control cell reaction ensemble molecular dynamics method, allows for the calculation of both equilibrium and nonequilibrium transport properties in porous materials such as diffusion coefficients, permeability, and mass flux. Control cells, which are in direct physical contact with the porous solid, are used to maintain the desired reaction and flow conditions for the system. The simulation setup closely mimics an actual experimental system in which the thermodynamic and flow parameters are precisely controlled. We present an application of the method to the dry reforming of methane reaction within a nanoscale reactor model in the presence of a semipermeable membrane that was modeled as a porous material similar to silicalite. We studied the effects of the membrane structure and porosity on the reaction species permeability by considering three different membrane models. We also studied the effects of an imposed pressure gradient across the membrane on the mass flux of the reaction species. Conversion of syngas (H2/CO) increased significantly in all the nanoscale membrane reactor models considered. A brief discussion of further potential applications is also presented.

  15. Dynamic order reduction of thin-film deposition kinetics models: A reaction factorization approach

    Energy Technology Data Exchange (ETDEWEB)

    Adomaitis, Raymond A., E-mail: adomaiti@umd.edu [Department of Chemical and Biomolecular Engineering, Institute for Systems Research, University of Maryland, College Park, Maryland 20742 (United States)

    2016-01-15

    A set of numerical tools for the analysis and dynamic dimension reduction of chemical vapor and atomic layer deposition (ALD) surface reaction models is developed in this work. The approach is based on a two-step process where in the first, the chemical species surface balance dynamic equations are factored to effectively decouple the (nonlinear) reaction rates, a process that eliminates redundant dynamic modes and that identifies conserved quantities. If successful, the second phase is implemented to factor out redundant dynamic modes when species relatively minor in concentration are omitted; if unsuccessful, the technique points to potential model structural problems. An alumina ALD process is used for an example consisting of 19 reactions and 23 surface and gas-phase species. Using the approach developed, the model is reduced by nineteen modes to a four-dimensional dynamic system without any knowledge of the reaction rate values. Results are interpreted in the context of potential model validation studies.

  16. Determination of Dynamics of Plant Plasma Membrane Proteins with Fluorescence Recovery and Raster Image Correlation Spectroscopy.

    Science.gov (United States)

    Laňková, Martina; Humpolíčková, Jana; Vosolsobě, Stanislav; Cit, Zdeněk; Lacek, Jozef; Čovan, Martin; Čovanová, Milada; Hof, Martin; Petrášek, Jan

    2016-04-01

    A number of fluorescence microscopy techniques are described to study dynamics of fluorescently labeled proteins, lipids, nucleic acids, and whole organelles. However, for studies of plant plasma membrane (PM) proteins, the number of these techniques is still limited because of the high complexity of processes that determine the dynamics of PM proteins and the existence of cell wall. Here, we report on the usage of raster image correlation spectroscopy (RICS) for studies of integral PM proteins in suspension-cultured tobacco cells and show its potential in comparison with the more widely used fluorescence recovery after photobleaching method. For RICS, a set of microscopy images is obtained by single-photon confocal laser scanning microscopy (CLSM). Fluorescence fluctuations are subsequently correlated between individual pixels and the information on protein mobility are extracted using a model that considers processes generating the fluctuations such as diffusion and chemical binding reactions. As we show here using an example of two integral PM transporters of the plant hormone auxin, RICS uncovered their distinct short-distance lateral mobility within the PM that is dependent on cytoskeleton and sterol composition of the PM. RICS, which is routinely accessible on modern CLSM instruments, thus represents a valuable approach for studies of dynamics of PM proteins in plants.

  17. Refined Calculations of Secondary Nuclear Reactions in Magneto-Inertial Fusion Plasmas

    Science.gov (United States)

    Schmit, Paul; Knapp, Patrick; Hansen, Stephanie; Gomez, Matthew; Hahn, Kelly; Sinars, Daniel; Peterson, Kyle; Slutz, Stephen; Sefkow, Adam; Awe, Thomas; Harding, Eric; Jennings, Christopher

    2014-10-01

    Diagnosing the degree of magnetic flux compression at stagnation in magneto-inertial fusion (MIF) is critical for charting the performance of any MIF concept. In pure deuterium plasma, the transport of high-energy tritons produced by the aneutronic DD fusion reaction depends strongly on the magnetic field. The tritons probe and occasionally react with the fuel, emitting secondary DT neutrons. We show that the DT/DD neutron yield ratio and the secondary DT neutron spectra can be used to infer the magnetic field-radius product (BR), the critical confinement parameter for MIF. The amount of fuel-pusher mix also can be constrained by secondary reactions. We discuss the sensitivity to plasma inhomogeneities of the calculations and outline methods to relate secondary yields to alpha particle energy deposition in ignition-relevant experiments employing DT fuel. We compare our calculations to recent tests of the Magnetized Liner Inertial Fusion (MagLIF) concept on the Z Pulsed Power Facility. Supported in part by the SNL Truman Fellowship, which is part of the LDRD Program, and sponsored by Sandia Corporation (a wholly owned subsidiary of Lockheed Martin Corporation) as Operator of SNL under its U.S. DoE Contract No. DE-AC04-94AL85000.

  18. Structural parameter identifiability analysis for dynamic reaction networks

    DEFF Research Database (Denmark)

    Davidescu, Florin Paul; Jørgensen, Sten Bay

    2008-01-01

    . The proposed analysis is performed in two phases. The first phase determines the structurally identifiable reaction rates based on reaction network stoichiometry. The second phase assesses the structural parameter identifiability of the specific kinetic rate expressions using a generating series expansion...... method based on Lie derivatives. The proposed systematic two phase methodology is illustrated on a mass action based model for an enzymatically catalyzed reaction pathway network where only a limited set of variables is measured. The methodology clearly pinpoints the structurally identifiable parameters...

  19. Flow dynamics and magnetic induction in the von-Karman plasma experiment

    CERN Document Server

    Plihon, Nicolas; Palermo, Francesco; Morales, Jorge A; Bos, Wouter; Godeferd, Fabien S; Bourgoin, Mickaël; Pinton, Jean-François; Moulin, M; Aanesland, Ane

    2014-01-01

    The von-Karman plasma experiment is a novel versatile experimental device designed to explore the dynamics of basic magnetic induction processes and the dynamics of flows driven in weakly magnetized plasmas. A high-density plasma column (10^16 - 10^19 particles.m^-3) is created by two radio-frequency plasma sources located at each end of a 1 m long linear device. Flows are driven through JxB azimuthal torques created from independently controlled emissive cathodes. The device has been designed such that magnetic induction processes and turbulent plasma dynamics can be studied from a variety of time-averaged axisymmetric flows in a cylinder. MHD simulations implementing volume-penalization support the experimental development to design the most efficient flow-driving schemes and understand the flow dynamics. Preliminary experimental results show that a rotating motion of up to nearly 1 km/s is controlled by the JxB azimuthal torque.

  20. Cluster dynamics modeling of He accumulation kinetics in W exposed to low-energy He plasma exposure

    Science.gov (United States)

    Blondel, Sophie; Maroudas, Dimitrios; Hu, Lin; Hammond, Karl; Wirth, Brian; PSI SciDAC Collaboration

    2015-11-01

    We report a hierarchical multi-scale modeling study of implanted helium segregation to surfaces of tungsten, considered as a plasma facing component in nuclear fusion reactors. We employ a hierarchy of atomic-scale simulations based on a reliable interatomic interaction potential, including molecular-statics and molecular dynamics simulations to understand the origin of helium surface segregation. The near-surface cluster dynamics found in these simulations have significant effects on the surface morphology, near-surface defect structures, and the amount of helium retained in the material upon plasma exposure. We integrate the findings of such atomic-scale simulations into a properly parameterized and validated spatially-dependent, continuum-scale reaction-diffusion cluster dynamics model, capable of predicting implanted helium evolution, surface segregation, and its near-surface effects in tungsten. This cluster-dynamics model sets the stage for development of fully atomistically informed coarse-grained models for computationally efficient simulation predictions, toward optimal design of plasma facing components.

  1. Reaction-in-Flight Neutrons as a Test of Stopping Power in Degenerate Plasmas

    CERN Document Server

    Hayes, A C; Schulz, A E; Boswell, M; Fowler, M M; Grim, G; Klein, A; Rundberg, R S; Wilhelmy, J B; Wilson, D

    2014-01-01

    We present the first measurements of reaction-in-flight (RIF) neutrons in an inertial confinement fusion system. The experiments were carried out at the National Ignition Facility, using both Low Foot and High Foot drives and cryogenic plastic capsules. In both cases, the high-energy RIF ($E_n>$ 15 MeV) component of the neutron spectrum was found to be about $10^{-4}$ of the total. The majority of the RIF neutrons were produced in the dense cold fuel surrounding the burning hotspot of the capsule and the data are consistent with a compressed cold fuel that is moderately to strongly coupled $(\\Gamma\\sim$0.6) and electron degenerate $(\\theta_\\mathrm{Fermi}/\\theta_e\\sim$4). The production of RIF neutrons is controlled by the stopping power in the plasma. Thus, the current RIF measurements provide a unique test of stopping power models in an experimentally unexplored plasma regime. We find that the measured RIF data strongly constrain stopping models in warm dense plasma conditions and some models are ruled out b...

  2. Monoenergetic proton emission from nuclear reaction induced by high intensity laser-generated plasma.

    Science.gov (United States)

    Torrisi, L; Cavallaro, S; Cutroneo, M; Giuffrida, L; Krasa, J; Margarone, D; Velyhan, A; Kravarik, J; Ullschmied, J; Wolowski, J; Szydlowski, A; Rosinski, M

    2012-02-01

    A 10(16) W∕cm(2) Asterix laser pulse intensity, 1315 nm at the fundamental frequency, 300 ps pulse duration, was employed at PALS laboratory of Prague, to irradiate thick and thin primary CD(2) targets placed inside a high vacuum chamber. The laser irradiation produces non-equilibrium plasma with deutons and carbon ions emission with energy of up to about 4 MeV per charge state, as measured by time-of-flight (TOF) techniques by using ion collectors and silicon carbide detectors. Accelerated deutons may induce high D-D cross section for fusion processes generating 3 MeV protons and 2.5 MeV neutrons, as measured by TOF analyses. In order to increase the mono-energetic proton yield, secondary CD(2) targets can be employed to be irradiated by the plasma-accelerated deutons. Experiments demonstrated that high intensity laser pulses can be employed to promote nuclear reactions from which characteristic ion streams may be developed. Results open new scenario for applications of laser-generated plasma to the fields of ion sources and ion accelerators.

  3. Monoenergetic proton emission from nuclear reaction induced by high intensity laser-generated plasma

    Energy Technology Data Exchange (ETDEWEB)

    Torrisi, L. [INFN-LNS Via S. Sofia 44, 95123 Catania (Italy); Dip.to di Fisica, Universita di Messina, V.le F.S. D' Alcontres 31, 98166 S. Agata, Messina (Italy); Cavallaro, S.; Giuffrida, L. [INFN-LNS Via S. Sofia 44, 95123 Catania (Italy); Cutroneo, M. [Dip.to di Fisica, Universita di Messina, V.le F.S. D' Alcontres 31, 98166 S. Agata, Messina (Italy); Krasa, J.; Margarone, D.; Velyhan, A.; Ullschmied, J. [Institute of Physics, ASCR, v.v.i., 182 21 Prague 8 (Czech Republic); Kravarik, J. [Czech Technical University, Faculty of Electro-Engineering, Prague (Czech Republic); Wolowski, J.; Szydlowski, A.; Rosinski, M. [Institute of Plasma Physics and Laser Microfusion, IPPLM, 23 Hery Str., 01-497 Warsaw (Poland)

    2012-02-15

    A 10{sup 16} W/cm{sup 2} Asterix laser pulse intensity, 1315 nm at the fundamental frequency, 300 ps pulse duration, was employed at PALS laboratory of Prague, to irradiate thick and thin primary CD{sub 2} targets placed inside a high vacuum chamber. The laser irradiation produces non-equilibrium plasma with deutons and carbon ions emission with energy of up to about 4 MeV per charge state, as measured by time-of-flight (TOF) techniques by using ion collectors and silicon carbide detectors. Accelerated deutons may induce high D-D cross section for fusion processes generating 3 MeV protons and 2.5 MeV neutrons, as measured by TOF analyses. In order to increase the mono-energetic proton yield, secondary CD{sub 2} targets can be employed to be irradiated by the plasma-accelerated deutons. Experiments demonstrated that high intensity laser pulses can be employed to promote nuclear reactions from which characteristic ion streams may be developed. Results open new scenario for applications of laser-generated plasma to the fields of ion sources and ion accelerators.

  4. Cattle fetal sex determination by polymerase chain reaction using DNA isolated from maternal plasma.

    Science.gov (United States)

    da Cruz, A S; Silva, D C; Costa, E O A; De M-Jr, P; da Silva, C C; Silva, D M; da Cruz, A D

    2012-03-01

    The objective of this study was to evaluate the use of polymerase chain reaction analysis (PCR) of fetal cells/DNA in the maternal plasma of pregnant cows to determine the sex of the fetus. Plasma was harvested from 35 cows of mixed genotype at different stages of pregnancy ranging from 5 to 35 weeks. A male calf and a heifer calf provided the control samples. Fetal sex was determined by amplification of Y-specific sequences. For the 35 cows, the fetal sex predicted by this technique was in accordance with the sex of the calf at birth in 88.6% of cases. The agreement between predicted and observed fetal sex was less for cows with a gestational length of 35-48 days (63.6%). Regression analysis showed that there was a strong relationship between the probability of correctly predicting fetal sex and the stage of gestation. It was estimated that the test performed at 43.8 days post fertilization would have 95% accuracy, increasing to 99% accuracy for testing at 48.4 days and 99.9% accuracy for tests at 55.0 days or later. It was concluded that PCR analysis of fetal cells in maternal plasma can be used to predict successfully the sex of the fetus in cattle.

  5. Direct Dynamics Study on CH2O + CH·3 → CHO + CH4 Reaction

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    It is still a formidable challenge to study CH2O + CH·3 → CHO + CH4 reaction in the gas phase by traditional dynamics, because of the large number of freedom degrees for the system.In this paper, direct dynamics, in which trajectories were run directly on the DFT potential energy surface, have been applied to the reaction, which gave a direct look in the reaction processes.Two sets of trajectories at different initial orientations of reactants and temperature have been simulated. And the detailed reaction mechanisms have been described.

  6. Dynamic yield and tensile strengths of spark plasma sintered alumina

    Science.gov (United States)

    Girlitsky, I.; Zaretsky, E.; Kalabukhov, S.; Dariel, M.; Frage, N.

    2014-05-01

    Fully dense alumina samples with 0.6 μm grain size were produced from alumina powder using Spark Plasma Sintering and tested in two types of VISAR-instrumented planar impact tests. In the tests of the first type the samples of 0.28 to 6-mm thickness were loaded by 1-mm tungsten impactors accelerated up to a velocity of about 1 km/s. These tests were aimed to study the Hugoniot elastic limit (HEL) of the SPS-processed alumina and the decay of the elastic precursor wave with propagation distance. In the second type of test the samples of ~3-mm thickness were loaded by 1-mm copper impactors accelerated up to velocities 100-1000 m/s. These tests were aimed to study the dynamic tensile (spall) strength of the alumina. The data on tensile fracture of the alumina demonstrate a monotonic decline of the spall strength with the amplitude of the loading stress pulse. The data on the decay of the elastic precursor wave allows for determining the rates of the irreversible (inelastic) strains in the SPS-processed alumina at the initial stages of shock-induced inelastic deformation and, thus, to derive some conclusions concerning the mechanisms responsible of the deformation.

  7. Dynamic interaction potential and the scattering cross sections of the semiclassical plasma particles

    Energy Technology Data Exchange (ETDEWEB)

    Dzhumagulova, K. N.; Shalenov, E. O.; Gabdullina, G. L. [IETP, Al Farabi Kazakh National University, 71al Farabi Street, Almaty 050040 (Kazakhstan)

    2013-04-15

    The dynamic model of the charged particles interaction in non-ideal semiclassical plasma is presented. This model takes into account the quantum mechanical diffraction effect and the dynamic screening effect. On the basis of the dynamic interaction potential, the electron scattering cross sections are investigated. Comparison with the results obtained on the basis of other models and conclusions were made.

  8. Dilepton production by dynamical quasiparticles in the strongly interacting quark gluon plasma

    CERN Document Server

    Linnyk, O

    2010-01-01

    The dilepton production by the constituents of the strongly interacting quark-gluon-plasma (sQGP) is addressed. In order to make quantitative predictions at realistically low plasma temperatures (O(T_c)), experimentally relevant low dilepton mass (O(1 GeV)) and strong coupling (alphaS=0.5-1), we take into account not only the higher order pQCD reaction mechanisms, but also the non-perturbative spectral functions (off-shellness) and self-energies of the quarks, anti-quarks and gluons thus going beyond the leading twist. For this purpose, our calculations utilize parametrizations of the non-perturbative propagators for quarks and gluons provided by the dynamical quasi-particle model (DQPM) matched to reproduce lattice data. The DQPM describes QCD properties in terms of single-particle Green's functions (in the sense of a two-particle irreducible approach) and leads to the notion of the constituents of the sQGP being effective quasiparticles, which are massive and have broad spectral functions (due to large inte...

  9. A fractional model of a dynamical Brusselator reaction-diffusion system arising in triple collision and enzymatic reactions

    Science.gov (United States)

    Singh, Jagdev; Rashidi, M. M.; Kumar, Devendra; Swroop, Ram

    2016-12-01

    In this paper, we study a dynamical Brusselator reaction-diffusion system arising in triple collision and enzymatic reactions with time fractional Caputo derivative. The present article involves a more generalized effective approach, proposed for the Brusselator system say q-homotopy analysis transform method (q-HATM), providing the family of series solutions with nonlocal generalized effects. The convergence of the q-HATM series solution is adjusted and controlled by auxiliary parameter ℏ and asymptotic parameter n. The numerical results are demonstrated graphically. The outcomes of the study show that the q-HATM is computationally very effective and accurate to analyze nonlinear fractional differential equations.

  10. Dynamical coupled-channels study of meson production reactions from EBAC@Jlab

    Energy Technology Data Exchange (ETDEWEB)

    Hiroyuki Kamano

    2011-10-01

    We present the current status of a combined and simultaneous analysis of meson production reactions based on a dynamical coupled-channels (DCC) model, which is conducted at Excited Baryon Analysis Center (EBAC) of Jefferson Lab.

  11. Dynamical Dipole mode in heavy-ion fusion reactions in the 192Pb mass region

    Science.gov (United States)

    Parascandolo, C.; Pierroutsakou, D.; Alba, R.; Del Zoppo, A.; Maiolino, C.; Santonocito, D.; Agodi, C.; Baran, V.; Boiano, A.; Colonna, M.; Coniglione, R.; De Filippo, E.; Di Toro, M.; Emanuele, U.; Farinon, F.; Guglielmetti, A.; La Commara, M.; Martin, B.; Mazzocchi, C.; Mazzocco, M.; Rizzo, C.; Romoli, M.; Signorini, C.; Silvestri, R.; Soramel, F.; Strano, E.; Torresi, D.; Trifiró, A.; Trimarchi, M.

    2015-04-01

    The dynamical dipole mode was investigated in the mass region of the 192Pb compound nucleus, by using the 40Ca + 152Sm and 48Ca + 144Sm reactions at Elab=11 and 10.1 MeV/nucleon, respectively. Both fusion-evaporation and fission events were studied simultaneously for the first time. Our results for evaporation and fission events (preliminary) show that the dynamical dipole mode survives in reactions involving heavier nuclei than those studied previously.

  12. Theoretical studies of the dynamics of chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, A.F. [Argonne National Laboratory, IL (United States)

    1993-12-01

    Recent research effort has focussed on several reactions pertinent to combustion. The formation of the formyl radical from atomic hydrogen and carbon monoxide, recombination of alkyl radicals and halo-alkyl radicals with halogen atoms, and the thermal dissociation of hydrogen cyanide and acetylene have been studied by modeling. In addition, the inelastic collisions of NCO with helium have been investigated.

  13. The Modification of Cellulosic Surface with Fatty Acids via Plasma Mediated Reactions

    Science.gov (United States)

    Nada, Ahmed Ali Ahmed

    Much attention has been paid recently to understand the healing process made by the human body, in order to develop new approaches for promoting healing. The wound healing process includes four main phases, namely, hemostatic, inflammatory, proliferation, and remodeling, which take place successively. The human body can provide all the requirements of the healing process in normal wounds, unless there is a kind of deficiency of the skin function or massive fluid losses of vast wounds. Therefore, wound care of non-healing wounds has recently been the growing concern of many applications. The goal of this work is to explore the development of a new cellulose-based wound dressing composite that contain or release wound healing agents attained via dry textile chemical finishing techniques (thermal curing-plasma treatment). The synthesis of different wound healing agents derived from fatty acids and attached chemically to cellulose or even delivered through cyclodextrine modified cellulose are reported in this work. First, free fatty acids, which are obtained from commercial vegetable oils, were identified as wound healing agents. Many of these free acids are known to bind with and deactivate the proteases associated with inflammation at a wound site. Linoleic acid is extracted from commercial products of safflower seed oil while ricinoleic acid is obtained from castor oil. Conjugated linoleic acid was synthesized. Un-conjugated linoleic acid was used to prepare two derivatives namely linoleic azide and allylic ketone of linoleic acid. Different cellulose derivatives such as cellulose peroxide, iododeoxycellulose and cellulose diazonium salt in different degree of substitutions were synthesized in order to facilitate the free radical reaction with the fatty acid derivatives. New modified cellulosic products were synthesized by reacting the cellulosic and the linoleic acid derivatives via thermal or plasma technique and characterized by FT-IR ATR, the wettability test

  14. Research progress of laser welding process dynamic monitoring technology based on plasma characteristics signal

    Directory of Open Access Journals (Sweden)

    Teng WANG

    2017-02-01

    Full Text Available During the high-power laser welding process, plasmas are induced by the evaporation of metal under laser radiation, which can affect the coupling of laser energy and the workpiece, and ultimately impact on the reliability of laser welding quality and process directly. The research of laser-induced plasma is a focus in high-power deep penetration welding field, which provides a promising research area for realizing the automation of welding process quality inspection. In recent years, the research of laser welding process dynamic monitoring technology based on plasma characteristics is mainly in two aspects, namely the research of plasma signal detection and the research of laser welding process modeling. The laser-induced plasma in the laser welding is introduced, and the related research of laser welding process dynamic monitoring technology based on plasma characteristics at home and abroad is analyzed. The current problems in the field are summarized, and the future development trend is put forward.

  15. Physics and Dynamics of Current Sheets in Pulsed Plasma Thrusters

    Science.gov (United States)

    2007-11-02

    pulsed plasma thruster. A simple experiment would involve measuring the impulse bit of a coaxial gas-fed pulsed plasma thruster operated in both positive...Princeton, NJ, 2002. [2] J. Marshal. Performance of a hydromagnetic plasma gun . The Physics of Fluids, 3(1):134–135, January-February 1960. [3] R.G. Jahn...Jahn and K.E. Clark. A large dielecteic vacuum facility. AIAA Jour- nal, 1966. [16] L.C. Burkhardt and R.H. Lovberg. Current sheet in a coaxial plasma

  16. Unraveling the plasma-material interface with real time diagnosis of dynamic boron conditioning in extreme tokamak plasmas

    Science.gov (United States)

    Domínguez-Gutiérrez, F. Javier; Bedoya, Felipe; Krstić, Predrag S.; Allain, Jean P.; Irle, Stephan; Skinner, Charles H.; Kaita, Robert; Koel, Bruce

    2017-08-01

    We present a study of the role of boron and oxygen in the chemistry of deuterium retention in boronized ATJ graphite irradiated by the extreme environment of a tokamak deuterium plasma. The experimental results were obtained by the first XPS measurements inside the plasma chamber of the National Spherical Torus Experiment Upgrade, between the plasma exposures. The subtle interplay of boron, carbon, oxygen and deuterium chemistry is explained by reactive molecular dynamics simulations, verified by quantum-classical molecular dynamics and successfully compared to the measured data. The calculations deciphered the roles of oxygen and boron for the deuterium retention and predict deuterium uptake into a boronized carbon surface close in value to that previously predicted for a lithiated and oxidized carbon surface.

  17. Dynamics of Surface Exchange Reactions Between Au and Pt for HER and HOR

    DEFF Research Database (Denmark)

    Abrams, Billie; Vesborg, Peter Christian Kjærgaard; Bonde, Jacob Lindner;

    2009-01-01

    Cyclic voltammetric analysis of the Pt-on-Au system for hydrogen evolution and oxidation reactions (HER/HOR) indicates that dynamic surface exchange reactions occur between Pt and Au. HER/HOR activities depend on the dominant surface species present, which is controllable by the potential applied...

  18. A solid-state nuclear magnetic resonance study of post-plasma reactions in organosilicone microwave plasma-enhanced chemical vapor deposition (PECVD) coatings.

    Science.gov (United States)

    Hall, Colin J; Ponnusamy, Thirunavukkarasu; Murphy, Peter J; Lindberg, Mats; Antzutkin, Oleg N; Griesser, Hans J

    2014-06-11

    Plasma-polymerized organosilicone coatings can be used to impart abrasion resistance and barrier properties to plastic substrates such as polycarbonate. Coating rates suitable for industrial-scale deposition, up to 100 nm/s, can be achieved through the use of microwave plasma-enhanced chemical vapor deposition (PECVD), with optimal process vapors such as tetramethyldisiloxane (TMDSO) and oxygen. However, it has been found that under certain deposition conditions, such coatings are subject to post-plasma changes; crazing or cracking can occur anytime from days to months after deposition. To understand the cause of the crazing and its dependence on processing plasma parameters, the effects of post-plasma reactions on the chemical bonding structure of coatings deposited with varying TMDSO-to-O2 ratios was studied with (29)Si and (13)C solid-state magic angle spinning nuclear magnetic resonance (MAS NMR) using both single-pulse and cross-polarization techniques. The coatings showed complex chemical compositions significantly altered from the parent monomer. (29)Si MAS NMR spectra revealed four main groups of resonance lines, which correspond to four siloxane moieties (i.e., mono (M), di (D), tri (T), and quaternary (Q)) and how they are bound to oxygen. Quantitative measurements showed that the ratio of TMDSO to oxygen could shift the chemical structure of the coating from 39% to 55% in Q-type bonds and from 28% to 16% for D-type bonds. Post-plasma reactions were found to produce changes in relative intensities of (29)Si resonance lines. The NMR data were complemented by Fourier transform infrared (FTIR) spectroscopy. Together, these techniques have shown that the bonding environment of Si is drastically altered by varying the TMDSO-to-O2 ratio during PECVD, and that post-plasma reactions increase the cross-link density of the silicon-oxygen network. It appears that Si-H and Si-OH chemical groups are the most susceptible to post-plasma reactions. Coatings produced at a

  19. Consecutive reversible ionization-recombination reactions and ionic charge state distribution of Au plasma

    Institute of Scientific and Technical Information of China (English)

    ZHU Zhiyan; ZHU Zhenghe; TANG Changhuan; TANG Yongjian; GAO Tao

    2005-01-01

    The present work proposes kinetics of ionization-recombination to study the charge state distribution of Au plasma. The first step is to calculate the average lifetime, energy level structure, degeneracy and partition function of Au48+―Au52+ by relativistic quantum mechanics, and next to compute the equilibrium constant and the second-order recombination rate constant by statistical thermodynamics. Based on these data, the differential equations of consecutive reversible ionization-recombination reactions are solved from which the charge state distribution and its average charge are derived. Finally, the influence of electron temperature and density on average charge is given in this paper. It is called the first-principle theory, for no experimental data are needed.

  20. University of Maryland component of the Center for Multiscale Plasma Dynamics: Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Dorland, William [University of Maryland

    2014-11-18

    The Center for Multiscale Plasma Dynamics (CMPD) was a five-year Fusion Science Center. The University of Maryland (UMD) and UCLA were the host universities. This final technical report describes the physics results from the UMD CMPD.

  1. Computational study of flow dynamics from a dc arc plasma jet

    CERN Document Server

    Trelles, Juan Pablo

    2013-01-01

    Plasma jets produced by direct-current (DC) non-transferred arc plasma torches, at the core of technologies ranging from spray coating to pyrolysis, present intricate dynamics due to the coupled interaction of fluid flow, thermal, and electromagnetic phenomena. The flow dynamics from an arc discharge plasma jet are investigated using time-dependent three-dimensional simulations encompassing the dynamics of the arc inside the torch, the evolution of the jet through the discharge environment, and the subsequent impingement of the jet over a flat substrate. The plasma is described by a chemical equilibrium and thermodynamic nonequilibrium (two-temperature) model. The numerical formulation of the physical model is based on a monolithic and fully-coupled treatment of the fluid and electromagnetic equations using a Variational Multiscale Finite Element Method. Simulation results uncover distinct aspects of the flow dynamics, including the jet forcing due to the movement of the electric arc, the prevalence of deviat...

  2. Reaction dynamics of molecular hydrogen on silicon surfaces

    DEFF Research Database (Denmark)

    Bratu, P.; Brenig, W.; Gross, A.

    1996-01-01

    between the two surfaces. These results indicate that tunneling, molecular vibrations, and the structural details of the surface play only a minor role for the adsorption dynamics. Instead, they appear to be governed by the localized H-Si bonding and Si-Si lattice vibrations. Theoretically, an effective...... of the preexponential factor by about one order of magnitude per lateral degree of freedom. Molecular vibrations have practically no effect on the adsorption/desorption dynamics itself, but lead to vibrational heating in desorption with a strong isotope effect. Ab initio calculations for the H-2 interaction......Experimental and theoretical results on the dynamics of dissociative adsorption and recombinative desorption of hydrogen on silicon are presented. Using optical second-harmonic generation, extremely small sticking probabilities in the range 10(-9)-10(-5) could be measured for H-2 and D-2 on Si(111...

  3. An Investigation on the Microstructure of Multi-phase Composite Coatings Synthesized by Plasma Spraying Self-reaction Composite Powders

    Institute of Scientific and Technical Information of China (English)

    DONG Yan-chun; YAN Dian-ran; HE Ji-ning; LI Xiang-zhi; ZHANG Jian-xin; NIU Er-wu

    2004-01-01

    Multi-phase self-reaction composite (denoted as MPc) coatings containing ceramic and metal multi-phases were fabricated by plasma spraying Fe2O3-Al composite powders. This technology successfully combines self-propagating high-temperature synthesis with plasma spraying. The morphology of the composite powders was examined by scanning electron microscope (SEM). The phase composition and microstructure of the composite coating are studied.

  4. Reaction dynamics of initial O2 sticking on Pd(100).

    Science.gov (United States)

    den Dunnen, Angela; Wiegman, Sandra; Jacobse, Leon; Juurlink, Ludo B F

    2015-06-07

    We have determined the initial sticking probability of O2 on Pd(100) using the King and Wells method for various kinetic energies, surface temperatures, and incident angles. The data suggest two different mechanisms to sticking and dissociation. Dissociation proceeds mostly through a direct process with indirect dissociation contributing only at low kinetic energies. We suggest a dynamical precursor state to account for the indirect dissociation channel, while steering causes the high absolute reactivity. A comparison of our results to those previously obtained for Pd(111) and Pd(110) highlights how similar results for different surfaces are interpreted to suggest widely varying dynamics.

  5. Reaction dynamics of initial O2 sticking on Pd(100)

    Science.gov (United States)

    den Dunnen, Angela; Wiegman, Sandra; Jacobse, Leon; Juurlink, Ludo B. F.

    2015-06-01

    We have determined the initial sticking probability of O2 on Pd(100) using the King and Wells method for various kinetic energies, surface temperatures, and incident angles. The data suggest two different mechanisms to sticking and dissociation. Dissociation proceeds mostly through a direct process with indirect dissociation contributing only at low kinetic energies. We suggest a dynamical precursor state to account for the indirect dissociation channel, while steering causes the high absolute reactivity. A comparison of our results to those previously obtained for Pd(111) and Pd(110) highlights how similar results for different surfaces are interpreted to suggest widely varying dynamics.

  6. Resonances and reactions from mean-field dynamics

    Directory of Open Access Journals (Sweden)

    Stevenson P. D.

    2016-01-01

    Full Text Available The time-dependent version of nuclear density functional theory, using functionals derived from Skyrme interactions, is able to approximately describe nuclear dynamics. We present time-dependent results of calculations of dipole resonances, concentrating on excitations of valence neutrons against a proton plus neutron core in the neutron-rich doubly-magic 132Sn nucleus, and results of collision dynamics, highlighting potential routes to ternary fusion, with the example of a collision of 48Ca+48Ca+208Pb resulting in a compound nucleus of element 120 stable against immediate fission.

  7. Temperature dynamics and velocity scaling laws for interchange driven, warm ion plasma filaments

    DEFF Research Database (Denmark)

    Olsen, Jeppe Miki Busk; Madsen, Jens; Nielsen, Anders Henry

    2016-01-01

    The influence of electron and ion temperature dynamics on the radial convection of isolated structures in magnetically confined plasmas is investigated by means of numerical simulations. It is demonstrated that the maximum radial velocity of these plasma blobs roughly follows the inertial velocit...

  8. A Nonlinear Dynamic Characterization of The Universal Scrape-off Layer Plasma Fluctuations

    CERN Document Server

    Mekkaoui, A

    2012-01-01

    A stochastic differential equation of plasma density dynamic is derived, consistent with the experimentally measured pdf and the theoretical quadratic nonlinearity. The plasma density evolves on the turbulence correlation time scale and is driven by a stochastic white noise proportional to the turbulence fluctuations amplitude, while the linear growth is quadratically damped by the fluctuation level $n_e(t)/\\bar{n}_e$.

  9. Imaging approaches for analysis of cholesterol distribution and dynamics in the plasma membrane.

    Science.gov (United States)

    Wüstner, Daniel; Modzel, Maciej; Lund, Frederik W; Lomholt, Michael A

    2016-09-01

    Cholesterol is an important lipid component of the plasma membrane (PM) of mammalian cells, where it is involved in control of many physiological processes, such as endocytosis, cell migration, cell signalling and surface ruffling. In an attempt to explain these functions of cholesterol, several models have been put forward about cholesterol's lateral and transbilayer organization in the PM. In this article, we review imaging techniques developed over the last two decades for assessing the distribution and dynamics of cholesterol in the PM of mammalian cells. Particular focus is on fluorescence techniques to study the lateral and inter-leaflet distribution of suitable cholesterol analogues in the PM of living cells. We describe also several methods for determining lateral cholesterol dynamics in the PM including fluorescence recovery after photobleaching (FRAP), fluorescence correlation spectroscopy (FCS), single particle tracking (SPT) and spot variation FCS coupled to stimulated emission depletion (STED) microscopy. For proper interpretation of such measurements, we provide some background in probe photophysics and diffusion phenomena occurring in cell membranes. In particular, we show the equivalence of the reaction-diffusion approach, as used in FRAP and FCS, and continuous time random walk (CTRW) models, as often invoked in SPT studies. We also discuss mass spectrometry (MS) based imaging of cholesterol in the PM of fixed cells and compare this method with fluorescence imaging of sterols. We conclude that evidence from many experimental techniques converges towards a model of a homogeneous distribution of cholesterol with largely free and unhindered diffusion in both leaflets of the PM.

  10. Synthesis of Fe-Al nanoparticles by hydrogen plasma-metal reaction

    CERN Document Server

    Liu Tong; Li Xing Guo

    2003-01-01

    Fe-Al nanoparticles of eight kinds have been prepared by hydrogen plasma-metal reaction. The morphology, crystal structure, and chemical composition of the nanoparticles obtained were investigated by transmission electron microscopy (TEM), x-ray diffractometry (XRD), and induction-coupled plasma spectroscopy. The particle size was determined by TEM and Brunaumer-Emmet-Teller gas adsorption. It was found that all the nanoparticles have spherical shapes, with average particle size in the range of 29-46 nm. The oxide layer in nanoparticles containing Al after passivation is not observable by XRD and TEM. The Al contents in Fe-Al ultrafine particles are about 1.2-1.5 times those in the master alloys. The evaporation speeds of Al and Fe in Fe-Al alloys are mutually accelerated at a certain composition. The crystal structures of the Fe-Al nanoparticles vary with the composition of the master alloys. Pure Fe sub 3 Al (D0 sub 3) and FeAl (B2) structures are successfully produced with 15 and 25 at.% Al in bulks, respe...

  11. Complex Reaction Environments and Competing Reaction Mechanisms in Zeolite Catalysis: Insights from Advanced Molecular Dynamics

    NARCIS (Netherlands)

    De Wispelaere, K.; Ensing, B.; Ghysels, A.; Meijer, E.J.; van Van Speybroeck, V.

    2015-01-01

    The methanol-to-olefin process is a showcase example of complex zeolite-catalyzed chemistry. At real operating conditions, many factors affect the reactivity, such as framework flexibility, adsorption of various guest molecules, and competitive reaction pathways. In this study, the strength of first

  12. Dynamics of plasma expansion in the pulsed laser material interaction

    Indian Academy of Sciences (India)

    N Kumar; S Dash; A K Tyagi; Baldev Raj

    2010-08-01

    A pulse Nd: YAG laser with pulse duration 5–10 ns, beam radius at focal point 0·2–0·4 mm, wavelengths 1064 nm, 532 nm and 238 nm with linearly polarized radiation and Gaussian beam profile, was impacted on a thin foil of titanium metal for generating plasma plume. Numerically, the above parameters were linked with average kinetic energy of the electrons and ions in the laser-induced plasma. In the present model, electrons having higher velocities are assumed to escape from plasma, that forms a negatively charged sheath around the plasma. It is seen from present computations that the forward directed nature of the laser evaporation process results from the anisotropic expansion velocities associated with different species. These velocities are mainly controlled by the initial dimension of the expanding plasma. An attempt was undertaken to estimate the length of the plume at different ambient gas pressures using an adiabatic expansion model. The rate of the plasma expansion for various Ar+ ion energies was derived from numerical calculations. A numerical definition of this plasma includes events like collisional/radiative, excitation/de-excitation and ionization/recombination processes involving multiples of energy levels with several ionization stages. Finally, based on a kinetic model, the plasma expansion rate across the laser beam axis was investigated.

  13. Plasma resonance and flux dynamics in layered high-Tc superconductors

    DEFF Research Database (Denmark)

    Pedersen, Niels Falsig; Sakai, S.

    2000-01-01

    Flux dynamics of layered high Tc superconductors are considered with special emphasis on the small oscillation modes. In particular we find the dispersion relation for the plasma modes and discuss the spectra to be observed in microwave experiments.......Flux dynamics of layered high Tc superconductors are considered with special emphasis on the small oscillation modes. In particular we find the dispersion relation for the plasma modes and discuss the spectra to be observed in microwave experiments....

  14. Self-modulated dynamics of a relativistic charged particle beam in plasma wake field excitation

    Energy Technology Data Exchange (ETDEWEB)

    Akhter, T.; Fedele, R. [Dipartimento di Fisica ‘Ettore Pancini’, Università di Napoli Federico II and INFN Sezione di Napoli, Napoli (Italy); Nicola, S. De [CNR-SPIN and INFN Sezione di Napoli, Napoli (Italy); Tanjia, F. [Dipartimento di Fisica ‘Ettore Pancini’, Università di Napoli Federico II and INFN Sezione di Napoli, Napoli (Italy); Jovanović, D. [Institute of Physics, University of Belgrade, Belgrade (Serbia); Mannan, A. [Department of Physics, Jahangirnagar University, Savar, Dhaka (Bangladesh)

    2016-09-01

    The self-modulated dynamics of a relativistic charged particle beam is provided within the context of the theory of plasma wake field excitation. The self-consistent description of the beam dynamics is provided by coupling the Vlasov equation with a Poisson-type equation relating the plasma wake potential to the beam density. An analysis of the beam envelope self-modulation is then carried out and the criteria for the occurrence of the instability are discussed thereby.

  15. The dynamics of reaction of Cl atoms with tetramethylsilane.

    Science.gov (United States)

    Retail, Bertrand; Rose, Rebecca A; Pearce, Julie K; Greaves, Stuart J; Orr-Ewing, Andrew J

    2008-03-28

    Rotational state distributions and state-selected CM-frame angular distributions were measured for HCl (v' = 0, j') products from the reaction of Cl-atoms with tetramethylsilane (TMS) under single collision conditions at a collision energy, E(coll), of 8.2 +/- 2.0 kcal mol(-1). The internal excitation of these products was very low with only 2% of the total energy available partitioned into HCl rotation. A transition state with a quasi-linear C-H-Cl moiety structure was computed and used to explain this finding. A backward peaking differential cross section was also reported together with a product translational energy (T') distribution with a maximum at T' approximately E(coll). This scattering behaviour is accounted for by reactions proceeding through a tight transition state on a highly skewed potential energy surface, which favours collisions at low impact parameters with a strong kinematic constraint on the internal excitation of the products. The large Arrhenius pre-exponential factor previously reported for this reaction is reconciled with the tight differential scattering observed in our study by considering the large size of the TMS molecule.

  16. Schlieren Cinematography of Current Driven Plasma Jet Dynamics

    Science.gov (United States)

    Loebner, Keith; Underwood, Thomas; Cappelli, Mark

    2016-10-01

    Schlieren cinematography of a pulsed plasma deflagration jet is presented and analyzed. An ultra-high frame rate CMOS camera coupled to a Z-type laser Schlieren apparatus is used to obtain flow-field refractometry data for the continuous flow Z-pinch formed within the plasma deflagration jet. The 10 MHz frame rate for 256 consecutive frames provides high temporal resolution, enabling turbulent fluctuations and plasma instabilities to be visualized over the course of a single pulse (20 μs). The Schlieren signal is radiometrically calibrated to obtain a two dimensional mapping of the refraction angle of the axisymmetric pinch plasma, and this mapping is then Abel inverted to derive the plasma density distribution as a function radius, axial coordinate, and time. Analyses of previously unknown discharge characteristics and comparisons with prior work are discussed.

  17. Review of quantum collision dynamics in Debye plasmas

    Directory of Open Access Journals (Sweden)

    R.K. Janev

    2016-09-01

    Full Text Available Hot, dense plasmas exhibit screened Coulomb interactions, resulting from the collective effects of correlated many-particle interactions. In the lowest particle correlation order (pair-wise correlations, the interaction between charged plasma particles reduces to the Debye–Hückel (Yukawa-type potential, characterized by the Debye screening length. Due to the importance of Coulomb interaction screening in dense laboratory and astrophysical plasmas, hundreds of theoretical investigations have been carried out in the past few decades on the plasma screening effects on the electronic structure of atoms and their collision processes employing the Debye–Hückel screening model. The present article aims at providing a comprehensive review of the recent studies in atomic physics in Debye plasmas. Specifically, the work on atomic electronic structure, photon excitation and ionization, electron/positron impact excitation and ionization, and excitation, ionization and charge transfer of ion-atom/ion collisions will be reviewed.

  18. Thermodynamic and dynamical properties of dense ICF plasma

    Directory of Open Access Journals (Sweden)

    Gabdullin Maratbek T.

    2016-06-01

    Full Text Available In present work, thermodynamic expressions were obtained through potentials that took into consideration long-range many-particle screening effects as well as short-range quantum-mechanical effects and radial distribution functions (RDFs. Stopping power of the projectile ions in dense, non-isothermal plasma was considered. One of the important values that describe the stopping power of the ions in plasma is the Coulomb logarithm. We investigated the stopping power of ions in inertial confinement fusion (ICF plasma and other energetic characteristics of fuel. Calculations of ions energy losses in the plasma for different values of the temperature and plasma density were carried out. A comparison of the calculated data of ion stopping power and energy deposition with experimental and theoretical results of other authors was also performed.

  19. A review of quantum collision dynamics in Debye plasmas

    CERN Document Server

    Janev, R K; Wang, Jian Guo

    2016-01-01

    Hot, dense plasmas exhibit screened Coulomb interactions, resulting from the collective effects of correlated many-particle interactions. In the lowest particle correlation order (pair-wise correlations), the interaction between charged plasma particles reduces to the Debye-H\\"uckel (Yukawa-type) potential, characterized by the Debye screening length D. Due to the importance of Coulomb interaction screening in dense laboratory and astrophysical plasmas, hundreds of theoretical investigations have been carried out in the past few decades on the plasma screening effects on the electronic structure of atoms and their collision processes employing the Debye-H\\"uckel screening model. The present article aims at providing a comprehensive review of the recent studies in atomic physics in Debye plasmas. Specifically, the work on atomic electronic structure, photon excitation and ionization, electron/positron impact excitation and ionization, and excitation, ionization and charge transfer of ion-atom/ion collisions wi...

  20. The Dynamical Generation of Current Sheets in Astrophysical Plasma Turbulence

    CERN Document Server

    Howes, Gregory G

    2016-01-01

    Turbulence profoundly affects particle transport and plasma heating in many astrophysical plasma environments, from galaxy clusters to the solar corona and solar wind to Earth's magnetosphere. Both fluid and kinetic simulations of plasma turbulence ubiquitously generate coherent structures, in the form of current sheets, at small scales, and the locations of these current sheets appear to be associated with enhanced rates of dissipation of the turbulent energy. Therefore, illuminating the origin and nature of these current sheets is critical to identifying the dominant physical mechanisms of dissipation, a primary aim at the forefront of plasma turbulence research. Here we present evidence from nonlinear gyrokinetic simulations that strong nonlinear interactions between counterpropagating Alfven waves, or strong Alfven wave collisions, are a natural mechanism for the generation of current sheets in plasma turbulence. Furthermore, we conceptually explain this current sheet development in terms of the nonlinear...

  1. Radiation-reaction-force-induced nonlinear mixing of Raman sidebands of an ultraintense laser pulse in a plasma.

    Science.gov (United States)

    Kumar, Naveen; Hatsagortsyan, Karen Z; Keitel, Christoph H

    2013-09-06

    Stimulated Raman scattering of an ultraintense laser pulse in plasmas is studied by perturbatively including the leading order term of the Landau-Lifshitz radiation reaction force in the equation of motion for plasma electrons. In this approximation, the radiation reaction force causes a phase shift in nonlinear current densities that drive the two Raman sidebands (anti-Stokes and Stokes waves), manifesting itself into the nonlinear mixing of two sidebands. This mixing results in a strong enhancement in the growth of the forward Raman scattering instability.

  2. Dithioacetal Exchange: A New Reversible Reaction for Dynamic Combinatorial Chemistry.

    Science.gov (United States)

    Orrillo, A Gastón; Escalante, Andrea M; Furlan, Ricardo L E

    2016-05-10

    Reversibility of dithioacetal bond formation is reported under acidic mild conditions. Its utility for dynamic combinatorial chemistry was explored by combining it with orthogonal disulfide exchange. In such a setup, thiols are positioned at the intersection of both chemistries, constituting a connecting node between temporally separated networks.

  3. Real-time electron dynamics simulation of two-electron transfer reactions induced by nuclear motion

    Science.gov (United States)

    Suzuki, Yasumitsu; Yamashita, Koichi

    2012-04-01

    Real-time electron dynamics of two-electron transfer reactions induced by nuclear motion is calculated by three methods: the numerically exact propagation method, the time-dependent Hartree (TDH) method and the Ehrenfest method. We find that, as long as the nuclei move as localized wave packets, the TDH and Ehrenfest methods can reproduce the exact electron dynamics of a simple charge transfer reaction model containing two electrons qualitatively well, even when nonadiabatic transitions between adiabatic states occur. In particular, both methods can reproduce the cases where a complete two-electron transfer reaction occurs and those where it does not occur.

  4. Enhancing gas-phase reaction in a plasma using high intensity and high power ultrasonic acoustic waves

    DEFF Research Database (Denmark)

    2010-01-01

    is absorbed into said plasma (104), and where a sound pressure level of said generated ultrasonic high intensity and high power acoustic waves (102) is at least substantially 140 dB and where an acoustic power of said generated ultrasonic high intensity and high power acoustic waves (102); is at least......This invention relates to enhancing a gas-phase reaction in a plasma comprising: creating plasma (104) by at least one plasma source (106), and wherein that the method further comprises: generating ultrasonic high intensity and high power acoustic waves (102) having a predetermined amount...... of acoustic energy by at least one ultrasonic high intensity and high power gas-jet acoustic wave generator (101), where said ultrasonic high intensity and high power acoustic waves are directed to propagate towards said plasma (104) so that at least a part of said predetermined amount of acoustic energy...

  5. Dust dynamics and diagnostic applications in quasi-neutral plasmas and magnetic fusion

    Science.gov (United States)

    Wang, Zhehui; Ticos, Catalin M.; Si, Jiahe; Delzanno, Gian Luca; Lapenta, Gianni; Wurden, Glen

    2007-11-01

    Little is known about dust dynamics in highly ionized quasi-neutral plasmas with ca. 1.0 e+20 per cubic meter density and ion temperature at a few eV and above, including in magnetic fusion. For example, dust motion in fusion, better known as UFO's, has been observed since 1980's but not explained. Solid understanding of dust dynamics is also important to International Thermonuclear Experimental Reactor (ITER) because of concerns about safety and dust contamination of fusion core. Compared with well studied strongly-coupled dusty plasma regime, new physics may arise in the higher density quasi-neutral plasma regime because of at least four orders of magnitude higher density and two orders of magnitude hotter ion temperature. Our recent laboratory experiments showed that plasma-flow drag force dominates over other forces in a quasi-neutral flowing plasma. In contrast, delicate balance among different forces in dusty plasma has led to many unique phenomena, in particular, the formation of dust crystal. Based on our experiments, we argue that 1) dust crystal will not form in the highly ionized plasmas with flows; 2) the UFO's are moving dust dragged by plasma flows; 3) dust can be used to measure plasma flow. Two diagnostic applications using dust for laboratory quasi-neutral plasmas and magnetic fusion will also be presented.

  6. Progress In Plasma Accelerator Development for Dynamic Formation of Plasma Liners

    Science.gov (United States)

    Thio, Y. C. Francis; Eskridge, Richard; Martin, Adam; Smith, James; Lee, Michael; Cassibry, Jason T.; Griffin, Steven; Rodgers, Stephen L. (Technical Monitor)

    2002-01-01

    An experimental plasma accelerator for magnetic target fusion (MTF) applications under development at the NASA Marshall Space Flight Center is described. The accelerator is a coaxial pulsed plasma thruster (Figure 1). It has been tested experimentally and plasma jet velocities of approx.50 km/sec have been obtained. The plasma jet has been photographed with 10-ns exposure times to reveal a stable and repeatable plasma structure (Figure 2). Data for velocity profile information has been obtained using light pipes and magnetic probes embedded in the gun walls to record the plasma and current transit respectively at various barrel locations. Preliminary spatially resolved spectral data and magnetic field probe data are also presented. A high speed triggering system has been developed and tested as a means of reducing the gun "jitter". This jitter is being characterized and future work for second generation "ultra-low jitter" gun development is being identified.

  7. Plasma Accelerator Development for Dynamic Formation of Plasma Liners: A Status Report

    Science.gov (United States)

    Thio, Y. C. Francis; Eskridge, Richard; Martin, Adam; Smith, James; Lee, Michael; Rodgers, Stephen L. (Technical Monitor)

    2001-01-01

    An experimental plasma accelerator for magnetic target fusion (MTF) applications under development at the NASA Marshall Space Flight Center is described. The accelerator is a pulsed plasma thruster and has been tested experimentally and plasma jet velocities of approximately 50 km/sec have been obtained. The plasma jet structure has been photographed with 10 ns exposure times to reveal a stable and repeatable plasma structure. Data for velocity profile information has been obtained using light pipes embedded in the gun walls to record the plasma transit at various barrel locations. Preliminary spatially resolved spectral data and magnetic field probe data are also presented. A high speed triggering system has been developed and tested as a means of reducing the gun "jitter". This jitter is being characterized and future work for second generation "ultra-low jitter" gun development is being identified.

  8. Nonstatistical dynamics on potentials exhibiting reaction path bifurcations and valley-ridge inflection points

    CERN Document Server

    Collins, Peter; Ezra, Gregory S; Wiggins, Stephen

    2013-01-01

    We study reaction dynamics on a model potential energy surface exhibiting post-transition state bifurcation in the vicinity of a valley ridge inflection point. We compute fractional yields of products reached after the VRI region is traversed, both with and without dissipation. It is found that apparently minor variations in the potential lead to significant changes in the reaction dynamics. Moreover, when dissipative effects are incorporated, the product ratio depends in a complicated and highly non-monotonic fashion on the dissipation parameter. Dynamics in the vicinity of the VRI point itself play essentially no role in determining the product ratio, except in the highly dissipative regime.

  9. Low-energy heavy-ion reactions: a link between nuclear structure and reaction dynamics

    CERN Document Server

    Corradi, L; Beghini, S; Lin, C J; Montagnoli, G; Pollarolo, G; Scarlassara, F; Segato, G F; Stefanini, A M; Zheng, L F

    1999-01-01

    High precision data recently obtained in the study of multinucleon transfer and sub-barrier fusion reactions at LNL are presented. The studies of transfer channels in the systems sup 4 sup 0 sup , sup 4 sup 8 Ca+ sup 1 sup 2 sup 4 Sn and sup 6 sup 4 Ni+ sup 2 sup 3 sup 8 U revealed important effects not identified in the past, and demonstrated the possibility of a quantitative understanding of the role played by the various degrees of freedom in the reaction mechanism. Evidence of their influence on the fusion enhancements seem to show-up in the systems sup 4 sup 0 Ca+ sup 1 sup 2 sup 4 sup , sup 1 sup 1 sup 6 Sn and sup 4 sup 0 Ca+ sup 9 sup 0 sup , sup 9 sup 6 Zr, but, in general, the data still escape a consistent treatment.

  10. Reaction dynamics and nuclear structure of moderately neutron-rich Ne isotopes by heavy ion reactions

    Directory of Open Access Journals (Sweden)

    Bottoni S.

    2014-03-01

    Full Text Available The heavy ion reaction 22Ne+208Pb at 128 MeV of bombarding energy has been studied using the PRISMA-CLARA experimental setup at Legnaro National Laboratories. Elastic, inelastic and one nucleon transfer cross sections have been measured. The experimental results are presented in parallel with the analysis on existing data for the unstable 24Ne nucleus, from the reaction 24Ne+208Pb at 182 MeV (measured at SPIRAL with the VAMOS-EXOGAM setup. The β2C charge deformation parameter for both 22Ne and 24Ne has been determined by a DWBA analysis of the experimental angular dis- tributions, showing a strong reduction for 24Ne.

  11. Global dynamics of a reaction-diffusion system

    Directory of Open Access Journals (Sweden)

    Yuncheng You

    2011-02-01

    Full Text Available In this work the existence of a global attractor for the semiflow of weak solutions of a two-cell Brusselator system is proved. The method of grouping estimation is exploited to deal with the challenge in proving the absorbing property and the asymptotic compactness of this type of coupled reaction-diffusion systems with cubic autocatalytic nonlinearity and linear coupling. It is proved that the Hausdorff dimension and the fractal dimension of the global attractor are finite. Moreover, the existence of an exponential attractor for this solution semiflow is shown.

  12. Quantum Dynamics Study on D+OD+ Reaction: Competition between Exchange and Abstraction Channels

    Institute of Scientific and Technical Information of China (English)

    Wen-wu Xu; Pei-yu Zhang; Guo-zhong He

    2013-01-01

    Quantum dynamics for the D+OD+ reaction at the collision energy range of 0.0-1.0 eV was studied on an accurate ab initio potential energy surface.Both of the endothermic abstraction (D+OD+-O++D2) and thermoneutral exchange (D+OD+-D+OD+) channels were investigated from the same set of time-dependent quantum wave packets method under centrifugal sudden approximation.The reaction probability dependence with collision energy,the integral cross sections,and the thermal rate constant of the both channels are calculated.It is found that there is a convex structure in the reaction path of the exchange reaction.The calculated time evolution of the wave packet distribution at J=0 clearly indicates that the convex structure significantly influences the dynamics of the exchange and abstraction channels of title reaction.

  13. Hybrid molecular dynamics simulation for plasma induced damage analysis

    Science.gov (United States)

    Matsukuma, Masaaki

    2016-09-01

    In order to enable further device size reduction (also known as Moore's law) and improved power performance, the semiconductor industry is introducing new materials and device structures into the semiconductor fabrication process. Materials now include III-V compounds, germanium, cobalt, ruthenium, hafnium, and others. The device structure in both memory and logic has been evolving from planar to three dimensional (3D). One such device is the FinFET, where the transistor gate is a vertical fin made either of silicon, silicon-germanium or germanium. These changes have brought renewed interests in the structural damages caused by energetic ion bombardment of the fin sidewalls which are exposed to the ion flux from the plasma during the fin-strip off step. Better control of the physical damage of the 3D devices requires a better understanding of the damage formation mechanisms on such new materials and structures. In this study, the damage formation processes by ion bombardment have been simulated for Si and Ge substrate by Quantum Mechanics/Molecular Mechanics (QM/MM) hybrid simulations and compared to the results from the classical molecular dynamics (MD) simulations. In our QM/MM simulations, the highly reactive region in which the structural damage is created is simulated with the Density Functional based Tight Binding (DFTB) method and the region remote from the primary region is simulated using classical MD with the Stillinger-Weber and Moliere potentials. The learn on the fly method is also used to reduce the computational load. Hence our QM/MM simulation is much faster than the full QC-MD simulations and the original QM/MM simulations. The amorphous layers profile simulated with QM/MM have obvious differences in their thickness for silicon and germanium substrate. The profile of damaged structure in the germanium substrate is characterized by a deeper tail then in silicon. These traits are also observed in the results from the mass selected ion beam

  14. Thermodynamic Study of Hydrolysis Reactions in Aqueous Solution from Ab Initio Potential and Molecular Dynamics Simulations

    Directory of Open Access Journals (Sweden)

    S. Tolosa

    2013-01-01

    Full Text Available A procedure for the theoretical study of chemical reactions in solution by means of molecular dynamics simulations of aqueous solution at infinite dilution is described using ab initio solute-solvent potentials and TIP3P water model to describe the interactions. The procedure is applied to the study of neutral hydrolysis of various molecules (HCONH2, HNCO, HCNHNH2, and HCOOCH3 via concerted and water-assisted mechanisms. We used the solvent as a reaction coordinate and the free energy curves for the calculation of the properties related with the reaction mechanism, namely, reaction and activation energies.

  15. Closed Loop Adaptive Refinement of Dynamical Models for Complex Chemical Reactions

    Science.gov (United States)

    2008-06-26

    CH3Br, Ar + H2O are given below. 3.1 Cl− + CH3Br Reaction A global RS-HDMR input/output map for the SN2 reaction Cl− +CH3Br→ ClCH3 +Br − (9) 3 was...2257-2266. [16] Wang H. B., Hase W. L. (1996). Reaction path Hamiltonian analysis of the dynamics for Cl− + CH3Br→ ClCH3 + Br − SN2 nucleophilic... reaction Cl − + CH3Br → ClCH3 + Br −, J. Chem. Phys., 111(24), 10887- 10894. [18] Sun, L., Hase, W. L., Song, K. (2001). Trajectory studies of SN2

  16. A Laboratory Plasma Experiment for Studying Magnetic Dynamics of Accretion Discs and Jets

    CERN Document Server

    Hsu, S C

    2002-01-01

    This work describes a laboratory plasma experiment and initial results which should give insight into the magnetic dynamics of accretion discs and jets. A high-speed multiple-frame CCD camera reveals images of the formation and helical instability of a collimated plasma, similar to MHD models of disc jets, and also plasma detachment associated with spheromak formation, which may have relevance to disc winds and flares. The plasmas are produced by a planar magnetized coaxial gun. The resulting magnetic topology is dependent on the details of magnetic helicity injection, namely the force-free state eigenvalue alpha_gun imposed by the coaxial gun.

  17. Study of Dynamic Features of Surface Plasma in High-Power Disk Laser Welding

    Institute of Scientific and Technical Information of China (English)

    王腾; 高向东; Katayatna SEIJI; 金小莉

    2012-01-01

    High-speed photography was used to obtain the dynamic changes in the surface plasma during a high-power disk laser welding process. A color space clustering algorithm to extract the edge information of the surface plasma region was developed in order to improve the accuracy of image processing. With a comparative analysis of the plasma features, i.e., area and height, and the characteristics of the welded seam, the relationship between the surface plasma and the stability of the laser welding process was characterized, which provides a basic understanding for the real-time monitoring of laser welding.

  18. Relationship between CME dynamics and solar flare plasma

    Institute of Scientific and Technical Information of China (English)

    Rajmal Jain; Malini Aggarwal; Pradeep Kulkarni

    2010-01-01

    The relationship between the velocity of CMEs and the plasma temperature of the associated X-ray solar flares is investigated.The velocity of CMEs increases with plasma temperature(R=0.82)and photon index below the break energy(R=0.60)of X-ray flares.The heating of the coronal plasma appears to be significant with respect to the kinetics of a CME from the reconnection region where the flare also occurs.We propose that the initiation and velocity of CMEs perhaps depend upon the dominant process of conversion of the magnetic field energy of the active region to heating/accelerating the coronal plasma in the reconnected loops.Results show that a flare and the associated CME are two components of one energy release system,perhaps,magnetic field free energy.

  19. Dynamics of Imploding Neon Gas Puff Plasmas. I.

    Science.gov (United States)

    2014-09-26

    L-shell, but its volume is small . A broader annulus of hot plasma, situated outside the core plasma is producing most of the K- and L-shell radiation...but its volume is small . The 10 - /~. *’ -- - (totcl) spectrum. ib-10ma 20. 00 NSEC. 21. 2G. E > 19. z 17. _ 16. .01 .10 1.00 10.00 energy (key

  20. Explosive-Emission Plasma Dynamics in Ion Diode in Double-Pulse Mode%Explosive-Emission Plasma Dynamics in Ion Diode in Double-Pulse Mode

    Institute of Scientific and Technical Information of China (English)

    Alexander I. PUSHKAREV; Yulia I. ISAKOVA

    2011-01-01

    The results of an experimental investigation of explosive-emission plasma dynamics in an ion diode with self-magnetic insulation are presented. The investigations were accomplished at the TEMP-4M accelerator set in a mode of double pulse formation. Plasma behaviour in the anode-cathode gap was analyzed according to both the current-voltage characteristics of the diode (time resolution of 0.5 ns) and thermal imprints on a target (spatial resolution of 0.8 mm). It was shown that when plasma formation at the potential electrode was complete, and up until the second (positive) pulse, the explosive-emission plasma expanded across the anode-cathode gap with a speed of 1.3±0.2 cm/μs. After the voltage polarity at the potential electrode was reversed (second pulse), the plasma erosion in the anode-cathode gap (similar to the effect of a plasma opening switch) occurred. During the generation of an ion beam the size of the anode-cathode gap spacing was determined by the thickness of the plasma layer on the potential electrode and the layer thickness of the electrons drifting along the grounded electrode.

  1. Chiral dynamics in the gamma p --> p pi0 reaction

    CERN Document Server

    Blin, A N Hiller; Vacas, M J Vicente

    2014-01-01

    We investigate the neutral pion photoproduction on the proton near threshold in covariant chiral perturbation theory with the explicit inclusion of Delta degrees of freedom. This channel is specially sensitive to chiral dynamics and the advent of very precise data from the Mainz microtron has shown the limits of the convergence of the chiral series for both the heavy baryon and the covariant approaches. We show that the inclusion of the Delta resonance substantially improves the convergence leading to a good agreement with data for a wider range of energies.

  2. Quasi-elastic reactions: an interplay of reaction dynamics and nuclear structure

    Directory of Open Access Journals (Sweden)

    Recchia F.

    2011-10-01

    Full Text Available Multinucleon transfer reactions have been investigated in 40Ar+208Pb with the Prisma+Clara set-up. The experimental differential cross sections of different neutron transfer channels have been obtained at three different angular settings taking into account the transmission through the spectrometer. The experimental yields of the excited states have been determined via particle-γ coincidences. In odd Ar isotopes, we reported a signif cant population of 11/2− states, reached via neutron transfer. Their structure matches a stretched conf guration of the valence neutron coupled to vibration quanta.

  3. Platelet reactions to modified surfaces under dynamic conditions.

    Science.gov (United States)

    Rhodes, N P; Shortland, A P; Rattray, A; Williams, D F

    1998-12-01

    The influence of surfaces on the reactions of platelets in whole blood under laminar flow was investigated in a cone and plate viscometer. Citrated whole blood was exposed to steel, PMMA and PMMA modified with PEO at low (500 s(-1)) and high (4000 s(-1)) wall shear rates at room temperature for a period of 100 s. Treated blood samples were fixed with paraformaldehyde, stained with a monoclonal antibody for CD41 (platelet GPIIb/IIIa) conjugated with phycoerythrin and analyzed by flow cytometry. The reactions of platelets (microparticle generation and formation of platelet-platelet, platelet-red blood cell and red blood cell-microparticle aggregates) to these environments were quantified. Additionally, the size of platelet-platelet aggregates was assessed. The percentage platelet aggregation and numbers of microparticles generated were independent of surface type at any shear rate. The composition of the aggregates formed was influenced by the surface: at low and high shear rates PMMA caused the generation of platelet-platelet aggregates of the greatest size. The numbers of red blood cell-platelet and red blood cell-microparticle aggregates also varied depending on the surface. Fewer red blood cell-platelet aggregates were formed at higher shear rates, whereas the reverse was true for red blood cell-microparticle aggregates. It is concluded that these variations may help to explain the differential effects of surfaces to the induction of distant thrombotic events: microparticles may be protected from loss from the blood stream by their association with red blood cells at high shear rates.

  4. Time-resolved imaging of purely valence-electron dynamics during a chemical reaction

    DEFF Research Database (Denmark)

    Hockett, Paul; Bisgaard, Christer Z.; Clarkin, Owen J.

    2011-01-01

    Chemical reactions are manifestations of the dynamics of molecular valence electrons and their couplings to atomic motions. Emerging methods in attosecond science can probe purely electronic dynamics in atomic and molecular systems(1-6). By contrast, time-resolved structural-dynamics methods......,17): in both cases, this sensitivity derives from the ionization-matrix element(18,19). Here we demonstrate a time-resolved molecular-frame photoelectron-angular-distribution (TRMFPAD) method for imaging the purely valence-electron dynamics during a chemical reaction. Specifically, the TRMFPADs measured during...... the non-adiabatic photodissociation of carbon disulphide demonstrate how the purely electronic rearrangements of the valence electrons can be projected from inherently coupled electronic-vibrational dynamics. Combined with ongoing efforts in molecular frame alignment(20) and orientation(21,22), TRMFPADs...

  5. Quantitative calculation of reaction performance in sonochemical reactor by bubble dynamics

    Science.gov (United States)

    Xu, Zheng; Yasuda, Keiji; Liu, Xiao-Jun

    2015-10-01

    In order to design a sonochemical reactor with high reaction efficiency, it is important to clarify the size and intensity of the sonochemical reaction field. In this study, the reaction field in a sonochemical reactor is estimated from the distribution of pressure above the threshold for cavitation. The quantitation of hydroxide radical in a sonochemical reactor is obtained from the calculation of bubble dynamics and reaction equations. The distribution of the reaction field of the numerical simulation is consistent with that of the sonochemical luminescence. The sound absorption coefficient of liquid in the sonochemical reactor is much larger than that attributed to classical contributions which are heat conduction and shear viscosity. Under the dual irradiation, the reaction field becomes extensive and intensive because the acoustic pressure amplitude is intensified by the interference of two ultrasonic waves. Project supported by the National Natural Science Foundation of China (Grant Nos. 11404245, 11204129, and 11211140039).

  6. ThermoData engine (TDE): software implementation of the dynamic data evaluation concept. 4. Chemical reactions.

    Science.gov (United States)

    Diky, Vladimir; Chirico, Robert D; Kazakov, Andrei F; Muzny, Chris D; Frenkel, Michael

    2009-12-01

    ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept, as reported recently in this journal. This paper describes the first application of this concept to the evaluation of thermodynamic properties for chemical reactions. Reaction properties evaluated are the enthalpies, entropies, Gibbs energies, and thermodynamic equilibrium constants. Details of key considerations in the critical evaluation of enthalpies of formation and of standard entropies for organic compounds are discussed in relation to their application in the calculation of reaction properties. Extensions to the class structure of the program are described that allow close linkage between the derived reaction properties and the underlying pure-component properties. Derivation of pure-component enthalpies of formation and of standard entropies through the use of directly measured reaction properties (enthalpies of reaction and equilibrium constants) is described. Directions for future enhancements are outlined.

  7. Crossed molecular beam studies of unimolecular reaction dynamics. [Angular and velocity distributions

    Energy Technology Data Exchange (ETDEWEB)

    Buss, R.J.

    1979-04-01

    The study of seven radical-molecule reactions using the crossed molecular beam technique with supersonic nozzle beams is reported. Product angular and velocity distributions were obtained and compared with statistical calculations in order to identify dynamical features of the reactions. In the reaction of chlorine and fluorine atoms with vinyl bromide, the product energy distributions are found to deviate from predictions of the statistical model. A similar effect is observed in the reaction of chlorine atoms with 1, 2 and 3-bromopropene. The reaction of oxygen atoms with ICl and CF/sub 3/I has been used to obtain an improved value of the IO bond energy, 55.0 +- 2.0 kcal mol/sup -1/. In all reactions studied, the product energy and angular distributions are found to be coupled, and this is attributed to a kinematic effect of the conservation of angular momentum.

  8. Quantitative calculation of reaction performance in sonochemical reactor by bubble dynamics

    Institute of Scientific and Technical Information of China (English)

    徐峥; 安田启司; 刘晓峻

    2015-01-01

    In order to design a sonochemical reactor with high reaction efficiency, it is important to clarify the size and intensity of the sonochemical reaction field. In this study, the reaction field in a sonochemical reactor is estimated from the distribution of pressure above the threshold for cavitation. The quantitation of hydroxide radical in a sonochemical reactor is obtained from the calculation of bubble dynamics and reaction equations. The distribution of the reaction field of the numerical simulation is consistent with that of the sonochemical luminescence. The sound absorption coefficient of liquid in the sonochemical reactor is much larger than that attributed to classical contributions which are heat conduction and shear viscosity. Under the dual irradiation, the reaction field becomes extensive and intensive because the acoustic pressure amplitude is intensified by the interference of two ultrasonic waves.

  9. Dynamic/Thermochemical Balance Drives Unusual Alkyl/F Exchange Reactions in Siloxides and Analogs.

    Science.gov (United States)

    Correra, Thiago C; Fernandes, André S; Riveros, José M

    2016-03-17

    A recent report has shown that siloxides can undergo an unusual Me/F exchange reaction promoted by NF3 in the gas phase ( Angew. Chem. Int. Ed. 2012, 51, 8632-8635). A more extensive study of this kind of exchange has been carried out using mass spectrometry techniques (FT-ICR), DFT calculations, natural bond orbital (NBO) analysis, and Born-Oppenheimer molecular dynamics simulations (BOMD), using NF3, SO2F2, and CF4 as fluorine donors and evaluating the effect of replacing the Si center by Ge and C. This comprehensive approach shows that NF3 is crucial for the exchange reaction, as SO2F2 forms SO3F(-) via a pentacoordinated channel whereas no reaction is observed for CF4. The uniqueness of NF3 is caused by favorable thermochemical consideration and by dynamic effects that preclude the formation of the ubiquitous Si-F pentacoordinated species. Me3GeO(-) was shown to be as reactive as siloxides toward NF3, whereas C analogs showed no reactions under our experimental conditions. The exchange reaction was also shown to take place for triethylsiloxides. These exchange reactions are examples of reaction systems that avoid the lower energy pathway and are driven by dynamic effects that cannot be explained by the potential energy surface.

  10. Analysis of plasma viral RNA levels during acute dengue virus infection using quantitative competitor reverse transcription-polymerase chain reaction.

    Science.gov (United States)

    Sudiro, T M; Zivny, J; Ishiko, H; Green, S; Vaughn, D W; Kalayanarooj, S; Nisalak, A; Norman, J E; Ennis, F A; Rothman, A L

    2001-01-01

    There is increasing recognition of the potential importance of viral burden in the pathogenesis of dengue hemorrhagic fever (DHF). There is little data available, however, describing the kinetics of viral replication in humans with natural dengue virus (DV) infection. Standard procedures for measuring titers of infectious virus in clinical specimens are either laborious or insensitive. We developed a method for measurement of DV RNA in plasma samples based on reverse transcription-polymerase chain reaction (RT-PCR) using a mutant RNA target as a competitor. This technique was reproducible and accurate for samples containing any of the four DV serotypes, and could be applied to samples containing as few as 250 copies of RNA per reaction. We examined plasma viral RNA levels in 80 children with acute DV infection; sequential plasma samples were tested in 34 of these children. Plasma viral RNA levels ranged as high as 10(9) RNA copies/ml, and correlated with titers of infectious virus measured in mosquitoes (r= 0.69). Plasma viral RNA levels fell rapidly during the last several days of the febrile period. We did not find a significant difference in maximal plasma viral RNA levels between children with DHF and children with dengue fever, but peak viral RNA levels were identified in only 16 subjects. We conclude that this quantitative RT-PCR method will be valuable for further studies of natural DV infections.

  11. Membrane potential modulates plasma membrane phospholipid dynamics and K-Ras signaling

    Science.gov (United States)

    Zhou, Yong; Wong, Ching-On; Cho, Kwang-jin; van der Hoeven, Dharini; Liang, Hong; Thakur, Dhananiay P.; Luo, Jialie; Babic, Milos; Zinsmaier, Konrad E.; Zhu, Michael X.; Hu, Hongzhen; Venkatachalam, Kartik; Hancock, John F.

    2015-01-01

    Plasma membrane depolarization can trigger cell proliferation, but how membrane potential influences mitogenic signaling is uncertain. Here, we show that plasma membrane depolarization induces nanoscale reorganization of phosphatidylserine and phosphatidylinositol 4,5-bisphosphate but not other anionic phospholipids. K-Ras, which is targeted to the plasma membrane by electrostatic interactions with phosphatidylserine, in turn undergoes enhanced nanoclustering. Depolarization-induced changes in phosphatidylserine and K-Ras plasma membrane organization occur in fibroblasts, excitable neuroblastoma cells, and Drosophila neurons in vivo and robustly amplify K-Ras–dependent mitogen-activated protein kinase (MAPK) signaling. Conversely, plasma membrane repolarization disrupts K-Ras nanoclustering and inhibits MAPK signaling. By responding to voltage-induced changes in phosphatidylserine spatiotemporal dynamics, K-Ras nanoclusters set up the plasma membrane as a biological field-effect transistor, allowing membrane potential to control the gain in mitogenic signaling circuits. PMID:26293964

  12. Spectroscopy and reaction dynamics of collision complexes containing hydroxyl radicals

    Energy Technology Data Exchange (ETDEWEB)

    Lester, M.I. [Univ. of Pennsylvania, Philadelphia (United States)

    1993-12-01

    The DOE supported work in this laboratory has focused on the spectroscopic characterization of the interaction potential between an argon atom and a hydroxyl radical in the ground X{sup 2}II and excited A {sup 2}{summation}{sup +} electronic states. The OH-Ar system has proven to be a test case for examining the interaction potential in an open-shell system since it is amenable to experimental investigation and theoretically tractable from first principles. Experimental identification of the bound states supported by the Ar + OH (X {sup 2}II) and Ar + OH(A {sup 2}{summation}{sup +}) potentials makes it feasible to derive realistic potential energy surfaces for these systems. The experimentally derived intermolecular potentials provide a rigorous test of ab initio theory and a basis for understanding the dramatically different collision dynamics taking place on the ground and excited electronic state surfaces.

  13. Optical emission spectroscopy study of the expansion dynamics of a laser generated plasma during the deposition of thin films by laser ablation

    Directory of Open Access Journals (Sweden)

    Fazio, Enza

    2007-09-01

    Full Text Available The dynamics of the expanding plasma produced by excimer laser ablation of different materials such as silicon, silicon carbide, graphite and tin powder were studied by means of time integrated, spatially resolved emission spectroscopy and fast photography imaging of the expanding plasma. Experiments were performed both in vacuum and in different pure background atmosphere (i.e. oxygen or nitrogen and, finally, in gaseous mixtures (i.e. in O2/Ar and N2/Ar mixtures. These investigations were performed to gather information on the nature of the chemical species present in the plasma and on the occurrence of chemical reactions during the interaction between the plasma and the background gas. Then, we tried to correlate the plasma expansion dynamics to the structural and physical properties of the deposited materials. Experimental results clearly indicate that there is a strong correlation between the plasma expansion dynamics and the structural properties of the deposited thin films. In this respect, the investigations performed by means of fast photography and of optical emission spectroscopy revealed themselves as powerful tools for an efficient control of the deposition process itself.

  14. Charging and Heating Dynamics of Nanoparticles in Nonthermal Plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Kortshagen, Uwe R.

    2014-08-15

    The focus of this award was to understand the interactions of nanometer-sized particles with ionized gases, also called plasmas. Plasmas are widely used in the fabrication of electronic circuits such as microprocessors and memory devices, in plasma display panels, as well as in medical applications. Recently, these ionized gases are finding applications in the synthesis of advanced nanomaterials with novel properties, which are based on nanometer-sized particulate (nanoparticles) building blocks. As these nanoparticles grow in the plasma environment, they interact with the plasmas species such as electrons and ions which critically determines the nanoparticle properties. The University of Minnesota researchers conducting this project performed numerical simulations and developed analytical models that described the interaction of plasma-bound nanoparticles with the plasma ions. The plasma ions bombard the nanoparticle surface with substantial energy, which can result in the rearrangement of the nanoparticles’ atoms, giving them often desirable structures at the atomic scale. Being able to tune the ion energies allows to control the properties of nanoparticles produced in order to tailor their attributes for certain applications. For instance, when used in high efficiency light emitting devices, nanoparticles produced under high fluxes of highly energetic ions may show superior light emission to particles produced under low fluxes of less energetic ions. The analytical models developed by the University of Minnesota researchers enable the research community to easily determine the energy of ions bombarding the nanoparticles. The researchers extensively tested the validity of the analytical models by comparing them to sophisticated computer simulations based on stochastic particle modeling, also called Monte Carlo modeling, which simulated the motion of hundreds of thousands of ions and their interaction with the nanoparticle surfaces. Beyond the scientific

  15. Dynamics of apokamp-type atmospheric pressure plasma jets

    Science.gov (United States)

    Sosnin, Eduard A.; Panarin, Victor A.; Skakun, Victor S.; Baksht, Evgeny Kh.; Tarasenko, Victor F.

    2017-02-01

    The paper describes a new discharge source of atmospheric pressure plasma jets (APPJs) in air with no gas supply through the discharge region. In this discharge mode, plasma jets develop from the bending point of a bright current channel between two electrodes and are therefore termed an apokamp (from Greek `off' and `bend'). The apokamp can represent single plasma jets of length up 6 cm or several jets, and the temperature of such jets can range from more than 1000 °C at their base to 100-250 °C at their tip. Apokamps are formed at maximum applied voltage of positive polarity, provided that the second electrode is capacitively decoupled with ground. According to high-speed photography with time resolution from several nanoseconds to several tens of nanoseconds, the apokamp consists of a set of plasma bullets moving with a velocity of 100-220 km/s, which excludes the convective mechanism of plasma decay. Estimates on a 100-ns scale show that the near-electrode zones and the zones from which apokamps develop are close in temperature.

  16. Analysis of dynamic foot pressure distribution and ground reaction forces

    Science.gov (United States)

    Ong, F. R.; Wong, T. S.

    2005-04-01

    The purpose of this study was to assess the relationship between forces derived from in-shoe pressure distribution and GRFs during normal gait. The relationship served to demonstrate the accuracy and reliability of the in-shoe pressure sensor. The in-shoe pressure distribution from Tekscan F-Scan system outputs vertical forces and Centre of Force (COF), while the Kistler force plate gives ground reaction forces (GRFs) in terms of Fz, Fx and Fy, as well as vertical torque, Tz. The two systems were synchronized for pressure and GRFs measurements. Data was collected from four volunteers through three trials for both left and right foot under barefoot condition with the in-shoe sensor. The forces derived from pressure distribution correlated well with the vertical GRFs, and the correlation coefficient (r2) was in the range of 0.93 to 0.99. This is a result of extended calibration, which improves pressure measurement to give better accuracy and reliability. The COF from in-shoe sensor generally matched well with the force plate COP. As for the maximum vertical torque at the forefoot during toe-off, there was no relationship with the pressure distribution. However, the maximum torque was shown to give an indication of the rotational angle of the foot.

  17. JINA Workshop Nuclear Physics in Hot Dense Dynamic Plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Kritcher, A L; Cerjan, C; Landen, O; Libby, S; Chen, M; Wilson, B; Knauer, J; Mcnabb, D; Caggiano, J; Bleauel, D; Weideking, M; Kozhuharov, C; Brandau, C; Stoehlker, T; Meot, V; Gosselin, G; Morel, P; Schneider, D; Bernstein, L A

    2011-03-07

    Measuring NEET and NEEC is relevant for probing stellar cross-sections and testing atomic models in hot plasmas. Using NEEC and NEET we can excite nuclear levels in laboratory plasmas: (1) NIF: Measure effect of excited nuclear levels on (n,{gamma}) cross-sections, 60% and never been measured; (2) Omega, Test cross-sections for creating these excited levels via NEEC and NEET. Will allow us to test models that estimate resonance overlap of atomic states with the nucleus: (1) Average Atom model (AA) (CEA&LLNL), single average wave-function potential; (2) Super Transition Array (STA) model (LLNL), More realistic individual configuration potentials NEET experimental data is scarce and not in a plasma environment, NEEC has not yet been observed.

  18. Applicability of the molecular dynamics technique to a Coulomb plasma

    Energy Technology Data Exchange (ETDEWEB)

    Zhidkov, A.G.; Galeev, R.Kh.

    1993-09-01

    In the present work, we report the calculations of the local Lyapunov parameter which determines the nature of the motion for a system of n particles interacting according to Coulomb`s law. These calculations have been performed for the most probable states of a fully ionized plasma, and they were performed using a Microvax-3 computer with the NAG(FO2) program package for a plasma consisting of particles with the same mass and for a fully ionized hydrogen plasma. The particle coordinates were prescribed as a uniformly distributed set of random numbers obtained using the NAG(GO5) routine. Results for the Lyapunov parameter are presented, and it is shown that the values of the parameter increases sharply as a function of particle number up to n=100 and then saturate. This latter observation is attributed to shielding, related to Debye effects.

  19. Isomerization reaction dynamics and equilibrium at the liquid-vapor interface of water. A molecular-dynamics study

    Science.gov (United States)

    Benjamin, Ilan; Pohorille, Andrew

    1993-01-01

    The gauche-trans isomerization reaction of 1,2-dichloroethane at the liquid-vapor interface of water is studied using molecular-dynamics computer simulations. The solvent bulk and surface effects on the torsional potential of mean force and on barrier recrossing dynamics are computed. The isomerization reaction involves a large change in the electric dipole moment, and as a result the trans/gauche ratio is considerably affected by the transition from the bulk solvent to the surface. Reactive flux correlation function calculations of the reaction rate reveal that deviation from the transition-state theory due to barrier recrossing is greater at the surface than in the bulk water. This suggests that the system exhibits non-Rice-Ramsperger-Kassel-Marcus behavior due to the weak solvent-solute coupling at the water liquid-vapor interface.

  20. Isomerization reaction dynamics and equilibrium at the liquid-vapor interface of water. A molecular-dynamics study

    Science.gov (United States)

    Benjamin, Ilan; Pohorille, Andrew

    1993-01-01

    The gauche-trans isomerization reaction of 1,2-dichloroethane at the liquid-vapor interface of water is studied using molecular-dynamics computer simulations. The solvent bulk and surface effects on the torsional potential of mean force and on barrier recrossing dynamics are computed. The isomerization reaction involves a large change in the electric dipole moment, and as a result the trans/gauche ratio is considerably affected by the transition from the bulk solvent to the surface. Reactive flux correlation function calculations of the reaction rate reveal that deviation from the transition-state theory due to barrier recrossing is greater at the surface than in the bulk water. This suggests that the system exhibits non-Rice-Ramsperger-Kassel-Marcus behavior due to the weak solvent-solute coupling at the water liquid-vapor interface.

  1. Dynamics of Ion Beam Charge Neutralization by Ferroelectric Plasma Sources

    Science.gov (United States)

    Stepanov, Anton D.; Gilson, Erik P.; Grisham, Larry R.; Kaganovich, Igor D.; Davidson, Ronald C.; Ji, Qing; Persaud, Arun; Seidl, Peter A.; Schenkel, Thomas

    2016-10-01

    Ferroelectric Plasma Sources (FEPSs) can generate plasma that provides effective space-charge neutralization of intense high-perveance ion beams. Here we present experimental results on charge neutralization of a high-perveance 38 keV Ar+ beam by a FEPS plasma. By comparing the measured beam radius with the envelope model for space-charge expansion, it is shown that a charge neutralization fraction of 98% is attainable. The transverse electrostatic potential of the ion beam is reduced from 15 V before neutralization to 0.3 V, implying that the energy of the neutralizing electrons is below 0.3 eV. Near-complete charge neutralization is established 5 μs after the driving pulse is applied to the FEPS, and can last for 35 μs. It is argued that the duration of neutralization is much longer than a reasonable lifetime of the plasma produced in the sub- μs surface discharge. Measurements of current flow in the driving circuit of the FEPS suggest that plasma can be generated for tens of μs after the high voltage pulse is applied. This is confirmed by fast photography of the plasma in the 1-meter long FEPS on NDCX-II, where effective charge neutralization of the beam was achieved with the optimized FEPS timing. This work was supported by the Office of Science of the US Department of Energy under contracts DE-AC0209CH11466 (PPPL) and DE-AC0205CH11231 (LBNL).

  2. Dynamical resonances in the fluorine atom reaction with the hydrogen molecule.

    Science.gov (United States)

    Yang, Xueming; Zhang, Dong H

    2008-08-01

    [Reaction: see text]. The concept of transition state has played a crucial role in the field of chemical kinetics and reaction dynamics. Resonances in the transition state region are important in many chemical reactions at reaction energies near the thresholds. Detecting and characterizing isolated reaction resonances, however, have been a major challenge in both experiment and theory. In this Account, we review the most recent developments in the study of reaction resonances in the benchmark F + H 2 --> HF + H reaction. Crossed molecular beam scattering experiments on the F + H 2 reaction have been carried out recently using the high-resolution, highly sensitive H-atom Rydberg tagging technique with HF rovibrational states almost fully resolved. Pronounced forward scattering for the HF (nu' = 2) product has been observed at the collision energy of 0.52 kcal/mol in the F + H 2 (j = 0) reaction. Quantum dynamical calculations based on two new potential energy surfaces, the Xu-Xie-Zhang (XXZ) surface and the Fu-Xu-Zhang (FXZ) surface, show that the observed forward scattering of HF (nu' = 2) in the F + H 2 reaction is caused by two Feshbach resonances (the ground resonance and first excited resonance). More interestingly, the pronounced forward scattering of HF (nu' = 2) at 0.52 kcal/mol is enhanced considerably by the constructive interference between the two resonances. In order to probe the resonance potential more accurately, the isotope substituted F + HD --> HF + D reaction has been studied using the D-atom Rydberg tagging technique. A remarkable and fast changing dynamical picture has been mapped out in the collision energy range of 0.3-1.2 kcal/mol for this reaction. Quantum dynamical calculations based on the XXZ surface suggest that the ground resonance on this potential is too high in comparison with the experimental results of the F + HD reaction. However, quantum scattering calculations on the FXZ surface can reproduce nearly quantitatively the resonance

  3. High Energy-Density Plasma Dynamics in Plasma-Filled Rod-Pinch Diodes

    Science.gov (United States)

    2013-06-01

    at about 30 eV at the time of maximum energy density, and that the time-averaged ionization is about +17, similar to MHD model predictions [2... MHD model predictions [2]. The plasma mass distribution is inferred from x-ray distribution measurements. The time-dependent mass distribution is used...Previous modeling [2] assumed the tungsten plasma had a time-dependent Gaussian radial profile and a fixed length of 3.5 mm, consistent with time

  4. Chemical dynamics in the gas phase: Time-dependent quantum mechanics of chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Gray, S.K. [Argonne National Laboratory, IL (United States)

    1993-12-01

    A major goal of this research is to obtain an understanding of the molecular reaction dynamics of three and four atom chemical reactions using numerically accurate quantum dynamics. This work involves: (i) the development and/or improvement of accurate quantum mechanical methods for the calculation and analysis of the properties of chemical reactions (e.g., rate constants and product distributions), and (ii) the determination of accurate dynamical results for selected chemical systems, which allow one to compare directly with experiment, determine the reliability of the underlying potential energy surfaces, and test the validity of approximate theories. This research emphasizes the use of recently developed time-dependent quantum mechanical methods, i.e. wave packet methods.

  5. Dynamic input to determine hip joint moments, power and work on the prosthetic limb of transfemoral amputees: ground reaction vs knee reaction

    OpenAIRE

    FROSSARD, Laurent; Cheze, Laurence; Dumas, Raphaël

    2011-01-01

    Background: Calculation of lower limb kinetics is limited by floor-mounted force-plates. Objectives: Comparison of hip joint moments, power and mechanical work on the prosthetic limb of a transfemoral amputee calculated by inverse dynamics using either the ground reactions (force-plates) or knee reactions (transducer). Study design: Comparative analysis. Methods: Kinematics, ground reaction and knee reaction data were collected using a motion analysis system, two forceplates, and a multi-axia...

  6. A review of dynamical resonances in A  +  BC chemical reactions

    Science.gov (United States)

    Ren, Zefeng; Sun, Zhigang; Zhang, Donghui; Yang, Xueming

    2017-02-01

    The concept of the transition state has played an important role in the field of chemical kinetics and reaction dynamics. Reactive resonances in the transition-state region can dramatically enhance the reaction probability; thus investigation of the reactive resonances has attracted great attention from chemical physicists for many decades. In this review, we mainly focus on the recent progress made in probing the elusive resonance phenomenon in the simple A  +  BC reaction and understanding its nature, especially in the benchmark F/Cl  +  H2 and their isotopic variants. The signatures of reactive resonances in the integral cross section, differential cross section (DCS), forward- and backward-scattered DCS, and anion photodetachment spectroscopy are comprehensively presented in individual prototype reactions. The dynamical origins of reactive resonances are also discussed in this review, based on information on the wave function in the transition-state region obtained by time-dependent quantum wave-packet calculations.

  7. Averaging methods for stochastic dynamics of complex reaction networks: description of multi-scale couplings

    CERN Document Server

    Plyasunov, S

    2005-01-01

    This paper is concerned with classes of models of stochastic reaction dynamics with time-scales separation. We demonstrate that the existence of the time-scale separation naturally leads to the application of the averaging principle and elimination of degrees of freedom via the renormalization of transition rates of slow reactions. The method suggested in this work is more general than other approaches presented previously: it is not limited to a particular type of stochastic processes and can be applied to different types of processes describing fast dynamics, and also provides crossover to the case when separation of time scales is not well pronounced. We derive a family of exact fluctuation-dissipation relations which establish the connection between effective rates and the statistics of the reaction events in fast reaction channels. An illustration of the technique is provided. Examples show that renormalized transition rates exhibit in general non-exponential relaxation behavior with a broad range of pos...

  8. MTF Driven by Plasma Liner Dynamically Formed by the Merging of Plasma Jets: An Overview

    Science.gov (United States)

    Thio, Y. C. Francis; Eskridge, Richard; Martin, Adam; Smith, James; Lee, Michael; Rodgers, Stephen L. (Technical Monitor)

    2001-01-01

    One approach for standoff delivery of the momentum flux for compressing the target in MTF consists of using a spherical array of plasma jets to form a spherical plasma shell imploding towards the center of a magnetized plasma, a compact toroid (Figure 1). A 3-year experiment (PLX-1) to explore the physics of forming a 2-D plasma liner (shell) by merging plasma jets is described. An overview showing how this 3-year project (PLX-1) fits into the program plan at the national and international level for realizing MTF for energy and propulsion is discussed. Assuming that there will be a parallel program in demonstrating and establishing the underlying physics principles of MTF using whatever liner is appropriate (e.g. a solid liner) with a goal of demonstrating breakeven by 2010, the current research effort at NASA MSFC attempts to complement such a program by addressing the issues of practical embodiment of MTF for propulsion. Successful conclusion of PLX-1 will be followed by a Physics Feasibility Experiment (PLX-2) for the Plasma Liner Driven MTF.

  9. Reaction dynamics of small molecules at metal surfaces

    CERN Document Server

    Samson, P A

    1999-01-01

    directed angular distributions suggest the influence of a trapping mechanism, recombining molecules scattering through a molecularly adsorbed state, with a transition state of large d sub N sub N responsible for the product vibrational excitation. Although N sub 2 dissociation on Fe(100) forms a simple overlayer structure, on Fe(110), molecular chemisorption does not occur at or above room temperature and the sticking is extremely small (approx 10 sup - sup 6 to 10 sup - sup 7). Activated nitrogen bombardment can be used to prepare a 'surface nitride' with a structure related to the geometry of bulk Fe sub 4 N. Scanning tunnelling microscopy yields atomic scale features that cannot be explained by simple overlayers. It is proposed that the uppermost iron layer reconstructs to generate quasi-octahedral sites between the top two layers, with sub-surface nitrogen in these sites forming a model for the 'surface nitride' structure. The dissociation-desorption dynamics of D sub 2 upon the Sn/Pt(111) surface alloy a...

  10. Population-reaction model and microbial experimental ecosystems for understanding hierarchical dynamics of ecosystems.

    Science.gov (United States)

    Hosoda, Kazufumi; Tsuda, Soichiro; Kadowaki, Kohmei; Nakamura, Yutaka; Nakano, Tadashi; Ishii, Kojiro

    2016-02-01

    Understanding ecosystem dynamics is crucial as contemporary human societies face ecosystem degradation. One of the challenges that needs to be recognized is the complex hierarchical dynamics. Conventional dynamic models in ecology often represent only the population level and have yet to include the dynamics of the sub-organism level, which makes an ecosystem a complex adaptive system that shows characteristic behaviors such as resilience and regime shifts. The neglect of the sub-organism level in the conventional dynamic models would be because integrating multiple hierarchical levels makes the models unnecessarily complex unless supporting experimental data are present. Now that large amounts of molecular and ecological data are increasingly accessible in microbial experimental ecosystems, it is worthwhile to tackle the questions of their complex hierarchical dynamics. Here, we propose an approach that combines microbial experimental ecosystems and a hierarchical dynamic model named population-reaction model. We present a simple microbial experimental ecosystem as an example and show how the system can be analyzed by a population-reaction model. We also show that population-reaction models can be applied to various ecological concepts, such as predator-prey interactions, climate change, evolution, and stability of diversity. Our approach will reveal a path to the general understanding of various ecosystems and organisms. Copyright © 2015 The Authors. Published by Elsevier Ireland Ltd.. All rights reserved.

  11. Dynamics expansion of laser produced plasma with different materials in magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Rabia Qindeel; Noriah Bte Bidin; Yaacob Mat daud [Laser Technology Laboratory, Physics Department, Universiti Teknologi Malaysia, Skudai 81310, Johor (Malaysia)], E-mail: plasmaqindeel@yahoo.com

    2008-12-01

    The dynamics expansion of the plasma generated by laser ablation of different materials has been investigated. The dynamics and confinement of laser generated plasma plumes are expanding across variable magnetic fields. A Q-switched neodymium-doped yttrium aluminum garnet laser with 1064 nm, 8 ns pulse width and 0.125 J laser energy was used to generate plasma that was allowed to expand across variable magnetic within 0.1 - 0.8 T. The expansions of laser-produced plasma of different materials are characterized by using constant laser power. CCD video camera was used to visualize and record the activities in the focal region. The plasma plume length, width and area were measured by using Matrox Inpector 2.1 and video Test 0.5 software. Spectrums of plasma beam from different materials are studied via spectrometer. The results show that the plasma generated by aluminum target is the largest than Brass and copper. The optical radiation from laser generated plasma beam spectrums are obtained in the range of UV to visible light.

  12. Dynamical Coupled-Channel Model of Meson Production Reactions in the Nucleon Resonance Region

    Energy Technology Data Exchange (ETDEWEB)

    T.-S. H. Lee; A. Matsuyama; T. Sato

    2006-11-15

    A dynamical coupled-channel model is presented for investigating the nucleon resonances (N*) in the meson production reactions induced by pions and photons. Our objective is to extract the N* parameters and to investigate the meson production reaction mechanisms for mapping out the quark-gluon substructure of N* from the data. The model is based on an energy-independent Hamiltonian which is derived from a set of Lagrangians by using a unitary transformation method.

  13. [Age-related dynamics of the motion reaction in school children].

    Science.gov (United States)

    Makarenko, M V; Petrenko, Iu O; Baĭda, O H; Men'shykh, O E

    2009-01-01

    We studied functional state of the central nervous system of boys and girls aged from 7 to 17 years old. Peculiarities of age-dependent dynamics of functional level of the central nervous system, stability of the reactions, levels of functional possibilities were described. The age-dependent periods of strengthening and weakening of correlation between the indexes of motive reaction and the criteria of the functional state of central nervous system were determined.

  14. Influence of instrumental parameters on the kinetic energy of ions and plasma temperature for a hexapole collision/reaction-cell-based inductively coupled plasma quadrupole mass spectrometer.

    Science.gov (United States)

    Favre, Georges; Brennetot, René; Chartier, Frédéric; Tortajada, Jeanine

    2009-02-01

    Inductively coupled plasma mass spectrometry (ICP-MS) is widely used in inorganic analytical chemistry for element and/or isotope ratio measurements. The presence of interferences, which is one of the main limitations of this method, has been addressed in recent years with the introduction of collision/reaction cell devices on ICP-MS apparatus. The study of ion-molecule reactions in the gas phase then became of great importance for the development of new analytical strategies. Knowing the kinetic energy and the electronic states of the ions prior to their entrance into the cell, i.e., just before they react, thereby constitutes crucial information for the interpretation of the observed reactivities. Such studies on an ICP-MS commonly used for routine analyses require the determination of the influence of different instrumental parameters on the energy of the ions and on the plasma temperature from where ions are sampled. The kinetic energy of ions prior to their entrance into the cell has been connected to the voltage applied to the hexapole according to a linear relationship determined from measurements of ion energy losses due to collisions with neutral gas molecules. The effects of the plasma forward power, sampling depth, and the addition of a torch shield to the ICP source were then examined. A decrease of the plasma potential due to the torch shielding, already mentioned in the literature, has been quantified in this study at about 3 V.

  15. Quantum dynamics of biological systems and dust plasma nanoparticles

    Science.gov (United States)

    Lasukov, V. V.; Lasukova, T. V.; Lasukova, O. V.

    2012-12-01

    A quantum solution of the Fisher-Kolmogorov-Petrovskii-Piskunov equation with convection and linear diffusion is obtained which can provide the basis for the quantum biology and quantum microphysics equation. On this basis, quantum emission of biological systems, separate microorganisms (cells or bacteria), and dust plasma particles is investigated.

  16. Quantum Dynamics of Biological Plasma in the External Coulomb Field

    Science.gov (United States)

    Lasukov, V. V.; Lasukova, T. V.; Lasukova, O. V.

    2013-10-01

    A quantum solution to the truncated Fisher-Kolmogorov-Petrovskii-Piskunov equation with Coulomb convection and linear diffusion is derived. The quantum radiation of biological systems, individual microorganisms (cells, bacteria), and dust plasma particles in the Coulomb field is studied using the foregoing solution.

  17. Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency.

    Science.gov (United States)

    Peters, Baron; Bolhuis, Peter G; Mullen, Ryan G; Shea, Joan-Emma

    2013-02-01

    We propose a method for identifying accurate reaction coordinates among a set of trial coordinates. The method applies to special cases where motion along the reaction coordinate follows a one-dimensional Smoluchowski equation. In these cases the reaction coordinate can predict its own short-time dynamical evolution, i.e., the dynamics projected from multiple dimensions onto the reaction coordinate depend only on the reaction coordinate itself. To test whether this property holds, we project an ensemble of short trajectory swarms onto trial coordinates and compare projections of individual swarms to projections of the ensemble of swarms. The comparison, quantified by the Kullback-Leibler divergence, is numerically performed for each isosurface of each trial coordinate. The ensemble of short dynamical trajectories is generated only once by sampling along an initial order parameter. The initial order parameter should separate the reactants and products with a free energy barrier, and distributions on isosurfaces of the initial parameter should be unimodal. The method is illustrated for three model free energy landscapes with anisotropic diffusion. Where exact coordinates can be obtained from Kramers-Langer-Berezhkovskii-Szabo theory, results from the new method agree with the exact results. We also examine characteristics of systems where the proposed method fails. We show how dynamical self-consistency is related (through the Chapman-Kolmogorov equation) to the earlier isocommittor criterion, which is based on longer paths.

  18. Influence of the leaving group on the dynamics of a gas-phase SN2 reaction

    Science.gov (United States)

    Stei, Martin; Carrascosa, Eduardo; Kainz, Martin A.; Kelkar, Aditya H.; Meyer, Jennifer; Szabó, István; Czakó, Gábor; Wester, Roland

    2016-02-01

    In addition to the nucleophile and solvent, the leaving group has a significant influence on SN2 nucleophilic substitution reactions. Its role is frequently discussed with respect to reactivity, but its influence on the reaction dynamics remains unclear. Here, we uncover the influence of the leaving group on the gas-phase dynamics of SN2 reactions in a combined approach of crossed-beam imaging and dynamics simulations. We have studied the reaction F- + CH3Cl and compared it to F- + CH3I. For the two leaving groups, Cl and I, we find very similar structures and energetics, but the dynamics show qualitatively different features. Simple scaling of the leaving group mass does not explain these differences. Instead, the relevant impact parameters for the reaction mechanisms are found to be crucial and the differences are attributed to the relative orientation of the approaching reactants. This effect occurs on short timescales and may also prevail in solution-phase conditions.

  19. Electromagnetically Driven Plasma-Field Dynamics in Modified Ionosphere

    Science.gov (United States)

    Kochetov, Andrey; Terina, Galina

    Under sounding of an artificial ionospheric turbulence by short probing radio pulses of ordinary polarization the two types of scattered signals were observed: a "caviton" signal (CS) and a "plasma" signal (PS), which appeared with the heating transmitter switching on and disap-peared after its switching off (G.I. Terina J. Atm. Terr. Phys, 57, 1995, 273, Izv. VUZov, Radiofizika, 39, 1998, 203). The scattered signal of PS type was revealed also after the heating switching off. It was called an "aftereffect plasma signal" (AEPS) (G.I. Terina Izv .VUZov, Radiofizika, 43, 2000, 958). This signal had large time and spatial delays and appeared mostly when corresponding PS had envelope fluctuations. The aftereffect phenomenon was expressed at time on CS by amplitude increasing at once after the heating transmitter turning off. The theoretical model of this phenomenon is proposed in and some peculiarities of the aftereffect phenomena of the scattered signals in modified ionospheric plasma are considered and discussed. For theoretical interpretation of the characteristics of CS and AEPS the numerical solution of nonlinear Shrüdinger equation (NSE) with driven extension were carried out in inhomogeneous plasma layer with linear electron density profile (A.V. Kochetov, V.A. Mironov, G.I. Terina, Adv. Space Reseacrh, 29, 2002, 1369) and for the one with prescribed density depletion (and A.V. Kochetov, G.I. Terina, Adv. Space Reseacrh, 38, 2006, 2490). The simulation results obtained for linear inhomogeneous plasma layer and for plasma one with density depletion al-low us to interpret the aftereffect of CS and PS qualitatively. The field amplitude increase at relaxation stage displayed at calculations allows us to interpret of CS aftereffect. The large time delays of AEPS can be explained as a result of powerful radio waves trapping in the forming at the plasma resonance regions density depletions (E. Mjøhus, J. Geophys. Res. 103, 1998, 14711; B. Eliasson and L. Stenflo, J

  20. Plasma micro-nanotextured polymeric micromixer for DNA purification with high efficiency and dynamic range.

    Science.gov (United States)

    Kastania, Athina S; Tsougeni, Katerina; Papadakis, George; Gizeli, Electra; Kokkoris, George; Tserepi, Angeliki; Gogolides, Evangelos

    2016-10-26

    We present a polymeric microfluidic chip capable of purifying DNA through solid phase extraction. It is designed to be used as a module of an integrated Lab-on-chip platform for pathogen detection, but it can also be used as a stand-alone device. The microfluidic channels are oxygen plasma micro-nanotextured, i.e. randomly roughened in the micro-nano scale, a process creating high surface area as well as high density of carboxyl groups (COOH). The COOH groups together with a buffer that contains polyethylene glycol (PEG), NaCl and ethanol are able to bind DNA on the microchannel surface. The chip design incorporates a mixer so that sample and buffer can be efficiently mixed on chip under continuous flow. DNA is subsequently eluted in water. The chip is able to isolate DNA with high recovery efficiency (96± 11%) in an extremely large dynamic range of prepurified Salmonella DNA as well as from Salmonella cell lysates that correspond to a range of 5 to 1.9 × 10(8) cells (0.263 fg to 2 × 500 ng). The chip was evaluated via absorbance measurements, polymerase chain reaction (PCR), and gel electrophoresis.

  1. Reaction dynamics analysis of a reconstituted Escherichia coli protein translation system by computational modeling.

    Science.gov (United States)

    Matsuura, Tomoaki; Tanimura, Naoki; Hosoda, Kazufumi; Yomo, Tetsuya; Shimizu, Yoshihiro

    2017-02-21

    To elucidate the dynamic features of a biologically relevant large-scale reaction network, we constructed a computational model of minimal protein synthesis consisting of 241 components and 968 reactions that synthesize the Met-Gly-Gly (MGG) peptide based on an Escherichia coli-based reconstituted in vitro protein synthesis system. We performed a simulation using parameters collected primarily from the literature and found that the rate of MGG peptide synthesis becomes nearly constant in minutes, thus achieving a steady state similar to experimental observations. In addition, concentration changes to 70% of the components, including intermediates, reached a plateau in a few minutes. However, the concentration change of each component exhibits several temporal plateaus, or a quasi-stationary state (QSS), before reaching the final plateau. To understand these complex dynamics, we focused on whether the components reached a QSS, mapped the arrangement of components in a QSS in the entire reaction network structure, and investigated time-dependent changes. We found that components in a QSS form clusters that grow over time but not in a linear fashion, and that this process involves the collapse and regrowth of clusters before the formation of a final large single cluster. These observations might commonly occur in other large-scale biological reaction networks. This developed analysis might be useful for understanding large-scale biological reactions by visualizing complex dynamics, thereby extracting the characteristics of the reaction network, including phase transitions.

  2. The influence of temperature dynamics and dynamic finite ion Larmor radius effects on seeded high amplitude plasma blobs

    DEFF Research Database (Denmark)

    Held, Magnus; Wiesenberger, M.; Madsen, Jens

    2016-01-01

    Thermal effects on the perpendicular convection of seeded pressure blobs in the scrape-off layer of magnetised fusion plasmas are investigated. Our numerical study is based on a four field full-F gyrofluid model, which entails the consistent description of high fluctuation amplitudes and dynamic...

  3. Dynamics and Feedback Control of Plasma Equilibrium Position in a Tokamak.

    Science.gov (United States)

    Burenko, Oleg

    A brief history of the beginnings of nuclear fusion research involving toroidal closed-system magnetic plasma containment is presented. A tokamak machine is defined mathematically for the purposes of plasma equilibrium position perturbation analysis. The perturbation equations of a tokamak plasma equilibrium position are developed. Solution of the approximated perturbation equations is carried out. A unique, simple, and useful plasma displacement dynamics transfer function of a tokamak is developed. The dominant time constants of the dynamics transfer function are determined in a symbolic form. This symbolic form of the dynamics transfer function makes it possible to study the stability of a tokamak's plasma equilibrium position. Knowledge of the dynamics transfer function permits systematic syntheses of the required plasma displacement feedback control systems. The major parameters governing the plasma equilibrium position stability of a tokamak are shown to be (1) external magnetic field decay index, (2) transformer iron core effect, (3) plasma current, (4) radial rate-of-change inductance parameter, (5) vertical rate-of-change inductance parameter, and (6) vacuum vessel eddy-current time constant. An important and unique result is derived, showing that for a vacuum vessel eddy-current time constant exceeding a certain value the vertical plasma equilibrium position is stable, in spite of an intentional vertical instability design represented by a negative decay index. It is shown that a tokamak design having a theoretical set of positive decay index, negative radical rate-of-change inductance parameter, and positive vertical rate-of-change inductance parameter is expected to have a better plasma equilibrium position stability tolerance than a tokamak design having the same set with the signs reversed. The results of an actual hardware ISX-A tokamak plasma displacement feed-back control system design are presented. It is shown that a theoretical design computer

  4. Ionization-potential depression and dynamical structure factor in dense plasmas

    Science.gov (United States)

    Lin, Chengliang; Röpke, Gerd; Kraeft, Wolf-Dietrich; Reinholz, Heidi

    2017-07-01

    The properties of a bound electron system immersed in a plasma environment are strongly modified by the surrounding plasma. The modification of an essential quantity, the ionization energy, is described by the electronic and ionic self-energies, including dynamical screening within the framework of the quantum statistical theory. Introducing the ionic dynamical structure factor as the indicator for the ionic microfield, we demonstrate that ionic correlations and fluctuations play a critical role in determining the ionization potential depression. This is, in particular, true for mixtures of different ions with large mass and charge asymmetry. The ionization potential depression is calculated for dense aluminum plasmas as well as for a CH plasma and compared to the experimental data and more phenomenological approaches used so far.

  5. Dynamic Wettability of Different Adhesives on Wheat Straw Surface Modified by Cold Oxygen Plasma Treatment

    Directory of Open Access Journals (Sweden)

    Xuehui Yang

    2014-02-01

    Full Text Available The effects of cold oxygen plasma treatment on the exterior and interior surfaces and wettability of wheat straw were investigated. The wheat straw was treated with oxygen plasma for 150 s, and the radio-frequency power was set at 100 W. The surface wettability was evaluated by measuring the contact angles and the K values of urea-formaldehyde, phenol-formaldehyde, and methylene diphenyl diisocyanate resins. Specimens with different gluing surfaces were bonded together with urea-formaldehyde and phenol-formaldehyde and then hot-pressed to assess bonding strength. Results indicate that the dynamic wettability and the shear strength of wheat straw were remarkably improved after it was exposed to the cold oxygen plasma. Additionally, the adhesive type and the wheat straw surface characteristics had significant effects on the dynamic wettability and bonding strength of both untreated and plasma-treated wheat straw.

  6. Proceedings of the Workshop on open problems in heavy ion reaction dynamics at VIVITRON energies

    Energy Technology Data Exchange (ETDEWEB)

    Beck, F.A.

    1993-07-01

    Some problems of heavy ion reaction dynamics at the VIVITRON tandem accelerator and the experimental facilities are discussed at the meeting. Topics include light dinuclear systems, collision dynamics at low energies, fission evaporation and fusion of heavy nuclei and others. Most documents consist of transparencies presented at the workshop, texts of papers are missing. All items are indexed and abstracted for the INIS database. (K.A.).

  7. Dynamical theory of primary processes of charge separation in the photosynthetic reaction center.

    Science.gov (United States)

    Lakhno, Victor D

    2005-05-01

    A dynamical theory has been developed for primary separation of charges in the course of photosynthesis. The theory deals with both hopping and superexchange transfer mechanisms. Dynamics of electron transfer from dimeric bacteriochlorophyll to quinone has been calculated. The results obtained agree with experimental data and provide a unified explanation of both the hierarchy of the transfer time in the photosynthetic reaction center and the phenomenon of coherent oscillations accompanying the transfer process.

  8. Transport dissipative particle dynamics model for mesoscopic advection-diffusion-reaction problems

    OpenAIRE

    Li, Zhen; Yazdani, Alireza; Tartakovsky, Alexandre; Karniadakis, George Em

    2015-01-01

    We present a transport dissipative particle dynamics (tDPD) model for simulating mesoscopic problems involving advection-diffusion-reaction (ADR) processes, along with a methodology for implementation of the correct Dirichlet and Neumann boundary conditions in tDPD simulations. tDPD is an extension of the classic dissipative particle dynamics (DPD) framework with extra variables for describing the evolution of concentration fields. The transport of concentration is modeled by a Fickian flux a...

  9. Global dynamic evolution of the cold plasma inferred with neural networks

    Science.gov (United States)

    Zhelavskaya, Irina; Shprits, Yuri; Spasojevic, Maria

    2017-04-01

    The electron number density is a fundamental parameter of plasmas and is critical for the wave-particle interactions. Despite its global importance, the distribution of cold plasma and its dynamic dependence on solar wind conditions remains poorly quantified. Existing empirical models present statistical averages based on static geomagnetic parameters, but cannot reflect the dynamics of the highly structured and quickly varying plasmasphere environment, especially during times of high geomagnetic activity. Global imaging provides insights on the dynamics but quantitative inversion to electron number density has been lacking. We propose an empirical model for reconstruction of global dynamics of the cold plasma density distribution based only on solar wind data and geomagnetic indices. We develop a neural network that is capable of globally reconstructing the dynamics of the cold plasma density distribution for L shells from 2 to 6 and all local times. We utilize the density database obtained using the NURD algorithm [Zhelavskaya et al., 2016] in conjunction with solar wind data and geomagnetic indices to train the neural network. This study demonstrates how the global dynamics can be reconstructed from local in-situ observations by using machine learning tools. We describe aspects of the validation process in detail and discuss the selected inputs to the model and their physical implication.

  10. A Practical Quantum Mechanics Molecular Mechanics Method for the Dynamical Study of Reactions in Biomolecules.

    Science.gov (United States)

    Mendieta-Moreno, Jesús I; Marcos-Alcalde, Iñigo; Trabada, Daniel G; Gómez-Puertas, Paulino; Ortega, José; Mendieta, Jesús

    2015-01-01

    Quantum mechanics/molecular mechanics (QM/MM) methods are excellent tools for the modeling of biomolecular reactions. Recently, we have implemented a new QM/MM method (Fireball/Amber), which combines an efficient density functional theory method (Fireball) and a well-recognized molecular dynamics package (Amber), offering an excellent balance between accuracy and sampling capabilities. Here, we present a detailed explanation of the Fireball method and Fireball/Amber implementation. We also discuss how this tool can be used to analyze reactions in biomolecules using steered molecular dynamics simulations. The potential of this approach is shown by the analysis of a reaction catalyzed by the enzyme triose-phosphate isomerase (TIM). The conformational space and energetic landscape for this reaction are analyzed without a priori assumptions about the protonation states of the different residues during the reaction. The results offer a detailed description of the reaction and reveal some new features of the catalytic mechanism. In particular, we find a new reaction mechanism that is characterized by the intramolecular proton transfer from O1 to O2 and the simultaneous proton transfer from Glu 165 to C2.

  11. Influence of Marangoni flows on the dynamics of isothermal A + B → C reaction fronts

    Science.gov (United States)

    Tiani, R.; Rongy, L.

    2016-09-01

    The nonlinear dynamics of A + B → C fronts is analyzed both numerically and theoretically in the presence of Marangoni flows, i.e., convective motions driven by surface tension gradients. We consider horizontal aqueous solutions where the three species A, B, and C can affect the surface tension of the solution, thereby driving Marangoni flows. The resulting dynamics is studied by numerically integrating the incompressible Navier-Stokes equations coupled to reaction-diffusion-convection (RDC) equations for the three chemical species. We show that the dynamics of the front cannot be predicted solely on the basis of the one-dimensional reaction-diffusion profiles as is the case for buoyancy-driven convection around such fronts. We relate this observation to the structure of Marangoni flows which lead to more complex and exotic dynamics. We find in particular the surprising possibility of a reversal of the front propagation direction in time for some sets of Marangoni numbers, quantifying the influence of each chemical species concentration on the solution surface tension. We explain this reversal analytically and propose a new classification of the convective effects on A + B → C reaction fronts as a function of the Marangoni numbers. The influence of the layer thickness on the RDC dynamics is also presented. Those results emphasize the importance of flow symmetry properties when studying convective front dynamics in a given geometry.

  12. Doppler Spectrometry for Ultrafast Temporal Mapping of Density Dynamics in Laser-Induced Plasmas

    Science.gov (United States)

    Mondal, S.; Lad, Amit D.; Ahmed, Saima; Narayanan, V.; Pasley, J.; Rajeev, P. P.; Robinson, A. P. L.; Kumar, G. Ravindra

    2010-09-01

    We present high resolution measurements of the ultrafast temporal dynamics of the critical surface in moderately overdense, hot plasma by using two-color, pump-probe Doppler spectrometry. Our measurements clearly capture the initial inward motion of the plasma inside the critical surface of the pump laser which is followed by outward expansion. The measured instantaneous velocity and acceleration profiles are very well reproduced by a hybrid simulation that uses a 1D electromagnetic particle-in-cell simulation for the initial evolution and a hydrodynamics simulation for the later times. The combination of high temporal resolution and dynamic range in our measurements clearly provides quantitative unraveling of the dynamics in this important region, enabling this as a powerful technique to obtain ultrafast snapshots of plasma density and temperature profiles for providing benchmarks for simulations.

  13. Molecular Dynamic Studies of Particle Wake Potentials in Plasmas

    Science.gov (United States)

    Ellis, Ian; Graziani, Frank; Glosli, James; Strozzi, David; Surh, Michael; Richards, David; Decyk, Viktor; Mori, Warren

    2010-11-01

    Fast Ignition studies require a detailed understanding of electron scattering, stopping, and energy deposition in plasmas with variable values for the number of particles within a Debye sphere. Presently there is disagreement in the literature concerning the proper description of these processes. Developing and validating proper descriptions requires studying the processes using first-principle electrostatic simulations and possibly including magnetic fields. We are using the particle-particle particle-mesh (P^3M) code ddcMD to perform these simulations. As a starting point in our study, we examined the wake of a particle passing through a plasma. In this poster, we compare the wake observed in 3D ddcMD simulations with that predicted by Vlasov theory and those observed in the electrostatic PIC code BEPS where the cell size was reduced to .03λD.

  14. Dynamics of electronegative plasmas for materials processing. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Lichtenberg, A.J.; Lieberman, M.A.

    1996-12-31

    Purpose was to study equilibrium particle and energy balance and heating mechanisms in electronegative rf discharges. Attention is given to formation of non-Maxwellian electron distributions and their effect on macroscopic parameters. Research includes theory, particle- in-cell simulation, and experimental investigations. Sheath heating theory and simulation results for electropositive plasmas are used as guide. The investigation was centered on, but not limited to, study of oxygen feedstock gas in capacitively and inductively coupled rf discharges.

  15. Formation and Dynamics of Vortex Structures in Pure and Gas-Discharge Nonneutral Collisionless Electron Plasmas

    CERN Document Server

    Kervalishvili, N A

    2013-01-01

    The comparative analysis of the results of experimental investigations of the processes of formation, interaction and dynamics of vortex structures in pure electron and gas-discharge electron nonneutral plasmas taking place for the period of time much less than the electron-neutral collision time has been given. The general processes of formation and behavior of vortex structures in these two plasmas were considered. The phenomena, taking place only in one of these plasmas were also considered. It is shown that the existing difference in behavior of vortex structures is caused by different initial states of nonneutral electron plasmas. The role of vortex structures in the processes taking place in nonneutral electron plasma is discussed.

  16. Centrifugal Separation and Equilibration Dynamics in an Electron-Antiproton Plasma

    Science.gov (United States)

    Andresen, G. B.; Ashkezari, M. D.; Baquero-Ruiz, M.; Bertsche, W.; Bowe, P. D.; Butler, E.; Cesar, C. L.; Chapman, S.; Charlton, M.; Deller, A.; Eriksson, S.; Fajans, J.; Friesen, T.; Fujiwara, M. C.; Gill, D. R.; Gutierrez, A.; Hangst, J. S.; Hardy, W. N.; Hayden, M. E.; Humphries, A. J.; Hydomako, R.; Jonsell, S.; Madsen, N.; Menary, S.; Nolan, P.; Olin, A.; Povilus, A.; Pusa, P.; Robicheaux, F.; Sarid, E.; Silveira, D. M.; So, C.; Storey, J. W.; Thompson, R. I.; van der Werf, D. P.; Wurtele, J. S.; Yamazaki, Y.

    2011-04-01

    Charges in cold, multiple-species, non-neutral plasmas separate radially by mass, forming centrifugally separated states. Here, we report the first detailed measurements of such states in an electron-antiproton plasma, and the first observations of the separation dynamics in any centrifugally separated system. While the observed equilibrium states are expected and in agreement with theory, the equilibration time is approximately constant over a wide range of parameters, a surprising and as yet unexplained result. Electron-antiproton plasmas play a crucial role in antihydrogen trapping experiments.

  17. Zonal flow driven by energetic particle during magneto-hydro-dynamic burst in a toroidal plasma

    Science.gov (United States)

    Ohshima, S.; Fujisawa, A.; Shimizu, A.; Nakano, H.; Iguchi, H.; Yoshimura, Y.; Nagaoka, K.; Minami, T.; Isobe, M.; Nishimura, S.; Suzuki, C.; Akiyama, T.; Takahashi, C.; Takeuchi, M.; Ito, T.; Watari, T.; Kumazawa, R.; Itoh, S.-I.; Itoh, K.; Matsuoka, K.; Okamura, S.

    2007-11-01

    The internal structural measurements of electric field and density using twin heavy ion beam probes have been performed to elucidate the nonlinear evolution of the magneto-hydro-dynamic (MHD) bursty phenomenon driven by the interaction with high-energy particles in a toroidal plasma. The results have given the finest observation of the internal structure of plasma quantities, such as electric field, density and magnetic field distortion, which nonlinearly develop during the MHD phenomenon. In particular, the finding of a new kind of oscillating zonal flow driven by interaction between energetic particles and MHD modes should be emphasized for burning state plasmas.

  18. Centrifugal separation and equilibration dynamics in an electron-antiproton plasma

    CERN Document Server

    Andresen, G B; Baquero-Ruiz, Marcelo; Bertsche, William; Bowe, Paul D; Butler, Eoin; Cesar, Claudio L; Chapman, Steven; Charlton, Michael; Deller, A; Eriksson, S; Fajans, Joel; Friesen, Tim; Fujiwara, Makoto C; Gill, David R; Gutierrez, A; Hangst, Jeffrey S; Hardy, Walter N; Hayden, Michael E; Humphries, Andrew J; Hydomako, Richard; Jonsell, Svante; Madsen, Niels; Menary, Scott; Nolan, Paul; Olin, Art; Povilus, Alexander; Pusa, Petteri; Robicheaux, Francis; Sarid, Eli; Silveira, Daniel M; So, Chukman; Storey, James W; Thompson, Robert I; van der Werf, Dirk P; Wurtele, Jonathan S; Yamazaki, Yasunori

    2011-01-01

    Charges in cold, multiple-species, non-neutral plasmas separate radially by mass, forming centrifugally-separated states. Here, we report the first detailed measurements of such states in an electron-antiproton plasma, and the first observations of the separation dynamics in any centrifugally-separated system. While the observed equilibrium states are expected and in agreement with theory, the equilibration time is approximately constant over a wide range of parameters, a surprising and as yet unexplained result. Electron-antiproton plasmas play a crucial role in antihydrogen trapping experiments.

  19. Estimation of dynamic properties of attractors observed in hollow copper electrode atmospheric pressure arc plasma system

    Indian Academy of Sciences (India)

    S Ghorul; S N Sahasrabudhe; P S S Murthy; A K Das; N Venkatramani

    2002-07-01

    Understanding of the basic nature of arc root fluctuation is still one of the unsolved problems in thermal arc plasma physics. It has direct impact on myriads of thermal plasma applications being implemented at present. Recently, chaotic nature of arc root behavior has been reported through the analysis of voltages, acoustic and optical signals which are generated from a hollow copper electrode arc plasma torch. In this paper we present details of computations involved in the estimation process of various dynamic properties and show how they reflect chaotic behavior of arc root in the system.

  20. Brownian dynamics simulations of an idealized chemical reaction network under spatial confinement and crowding conditions

    CERN Document Server

    Bellesia, Giovanni

    2015-01-01

    We investigate, via Brownian dynamics simulations, the reaction dynamics of a simple, non-linear chemical network (the Willamowski-Rossler network) under spatial confinement and crowding conditions. Our results show that the presence of inert crowders has a non-nontrivial effect on the dynamics of the network and, consequently, that effective modeling efforts aiming at a general understanding of the behavior of biochemical networks in vivo should be stochastic in nature and based on an explicit representation of both spatial confinement and macromolecular crowding.

  1. Slow dynamics in a quasi-two-dimensional binary complex plasma

    CERN Document Server

    Du, Cheng-Ran; Thomas, Hubertus M; Morfill, Gregor E; Ivlev, Alexei V

    2016-01-01

    Slow dynamics in an amorphous quasi-two-dimensional complex plasma, comprised of microparticles of two different sizes, was studied experimentally. The motion of individual particles was observed using video microscopy, and the self part of the intermediate scattering function as well as the mean-squared particle displacement was calculated. The long-time structural relaxation reveals the characteristic behavior near the glass transition. Our results suggest that binary complex plasmas can be an excellent model system to study slow dynamics in classical supercooled fluids.

  2. Simulation methods of ion sheath dynamics in plasma source ion implantation

    Institute of Scientific and Technical Information of China (English)

    WANG Jiuli; ZHANG Guling; WANG Younian; LIU Yuanfu; LIU Chizi; YANG Size

    2004-01-01

    Progress of the theoretical studies on the ion sheath dynamics in plasma source ion implantation (PSII) is reviewed in this paper. Several models for simulating the ion sheath dynamics in PSII are provided. The main problem of nonuniform ion implantation on the target in PSII is discussed by analyzing some calculated results. In addition, based on the relative researches in our laboratory, some calculated results of the ion sheath dynamics in PSII for inner surface modification of a cylindrical bore are presented. Finally, new ideas and tendency for future researches on ion sheath dynamics in PSII are proposed.

  3. Experimental and numerical investigation of coupled microvibration dynamics for satellite reaction wheels

    Science.gov (United States)

    Addari, D.; Aglietti, G. S.; Remedia, M.

    2017-01-01

    Microvibrations of a satellite reaction wheel assembly are commonly analysed in either hard-mounted or coupled boundary conditions, though coupled wheel-to-structure disturbance models are more representative of the real environment in which the wheel operates. This article investigates the coupled microvibration dynamics of a cantilever configured reaction wheel assembly mounted on either a stiff or flexible platform. Here a method is presented to cope with modern project necessities: (i) need of a model which gives accurate estimates covering a wide frequency range; (ii) reduce the personnel and time costs derived from the test campaign, (iii) reduce the computational effort without affecting the quality of the results. The method involves measurements of the disturbances induced by the reaction wheel assembly in a hard-mounted configuration and of the frequency and speed dependent dynamic mass of the reaction wheel. In addition, it corrects the approximation due to missing speed dependent dynamic mass in conventional reaction wheel assembly microvibration analysis. The former was evaluated experimentally using a previously designed and validated platform. The latter, on the other hand, was estimated analytically using a finite element model of the wheel assembly. Finally, the validation of the coupled wheel-structure disturbance model is presented, giving indication of the level of accuracy that can be achieved with this type of analyses.

  4. Dynamics of Pickering Emulsions in the Presence of an Interfacial Reaction: A Simulation Study.

    Science.gov (United States)

    Zhao, Shuangliang; Zhan, Bicai; Hu, Yaofeng; Fan, Zhaoyu; Pera-Titus, Marc; Liu, Honglai

    2016-12-13

    Pickering emulsions combining surface-active and catalytic properties offer a promising platform for conducting interfacial reactions between immiscible reagents. Despite the significant progress in the design of Pickering interfacial catalysts for a broad panel of reactions, the dynamics of Pickering emulsions under reaction conditions is still poorly understood. Herein, using benzene hydroxylation with aqueous H2O2 as a model system, we explored the dynamics of benzene/water Pickering emulsions during reaction by dissipative particle dynamics. Our study points out that the surface wettability of the silica nanoparticles is affected to a higher extent by the degree of polymer grafting rather than an increase of the chain length of hydrophobic polymer moieties. A remarkable decline of the oil-in-water (O/W) interfacial tension was observed when increasing the yield of the reaction product (phenol), affecting the emulsion stability. However, phenol did not alter to an important extent the distribution of immiscible reagents around the nanoparticles sitting at the benzene/water interface. A synergistic effect between phenol and silica nanoparticles on the O/W interfacial tension of the biphasic system could be ascertained.

  5. Dynamics of the Spiral Tip in a Closed Belousov-Zhabotinsky Reaction

    Institute of Scientific and Technical Information of China (English)

    ZHANG Hui-Jie; WANG Peng-Ye; ZHAO Ying-Ying

    2005-01-01

    @@ Dynamics of spiral tip rotating in a closed system of the light sensitive Belousov-Zhabotinsky reaction is studied under a homogeneous and steady illumination. The time dependence of the kinematical parameters of meandering spiral is presented and the experimental evidence is obtained for self-synchronization of the spiral tip in a closed B-Z system without external feedback.

  6. Influence of surrounding gas, composition and pressure on plasma plume dynamics of nanosecond pulsed laser-induced aluminum plasmas

    Directory of Open Access Journals (Sweden)

    Mahmoud S. Dawood

    2015-10-01

    Full Text Available In this article, we present a comprehensive study of the plume dynamics of plasmas generated by laser ablation of an aluminum target. The effect of both ambient gas composition (helium, nitrogen or argon and pressure (from ∼5 × 10−7 Torr up to atmosphere is studied. The time- and space- resolved observation of the plasma plume are performed from spectrally integrated images using an intensified Charge Coupled Device (iCCD camera. The iCCD images show that the ambient gas does not significantly influence the plume as long as the gas pressure is lower than 20 Torr and the time delay below 300 ns. However, for pressures higher than 20 Torr, the effect of the ambient gas becomes important, the shortest plasma plume length being observed when the gas mass species is highest. On the other hand, space- and time- resolved emission spectroscopy of aluminum ions at λ = 281.6 nm are used to determine the Time-Of-Flight (TOF profiles. The effect of the ambient gas on the TOF profiles and therefore on the propagation velocity of Al ions is discussed. A correlation between the plasma plume expansion velocity deduced from the iCCD images and that estimated from the TOF profiles is presented. The observed differences are attributed mainly to the different physical mechanisms governing the two diagnostic techniques.

  7. Application of non-thermal plasma reactor and Fenton reaction for degradation of ibuprofen

    Energy Technology Data Exchange (ETDEWEB)

    Marković, Marijana [Center of Chemistry, Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Studentski trg 12-16, 11000 Belgrade (Serbia); Jović, Milica; Stanković, Dalibor [Innovation Center, Faculty of Chemistry, University of Belgrade, P.O. Box 51, 11058 Belgrade 118 (Serbia); Kovačević, Vesna [Faculty of Physics, University of Belgrade, P.O. Box 44, 11000 Belgrade (Serbia); Roglić, Goran [Faculty of Chemistry, University of Belgrade, P.O. Box 51, 11058 Belgrade 118 (Serbia); Gojgić-Cvijović, Gordana [Center of Chemistry, Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Studentski trg 12-16, 11000 Belgrade (Serbia); Manojlović, Dragan, E-mail: manojlo@chem.bg.ac.rs [Faculty of Chemistry, University of Belgrade, P.O. Box 51, 11058 Belgrade 118 (Serbia)

    2015-02-01

    Pharmaceutical compounds have been detected frequently in surface and ground water. Advanced Oxidation Processes (AOPs) were reported as very efficient for removal of various organic compounds. Nevertheless, due to incomplete degradation, toxic intermediates can induce more severe effects than the parent compound. Therefore, toxicity studies are necessary for the evaluation of possible uses of AOPs. In this study the effectiveness and capacity for environmental application of three different AOPs were estimated. They were applied and evaluated for removal of ibuprofen from water solutions. Therefore, two treatments were performed in a non-thermal plasma reactor with dielectric barrier discharge with and without a homogenous catalyst (Fe{sup 2+}). The third treatment was the Fenton reaction. The degradation rate of ibuprofen was measured by HPLC-DAD and the main degradation products were identified using LC–MS TOF. Twelve degradation products were identified, and there were differences according to the various treatments applied. Toxicity effects were determined with two bioassays: Vibrio fischeri and Artemia salina. The efficiency of AOPs was demonstrated for all treatments, where after 15 min degradation percentage was over 80% accompanied by opening of the aromatic ring. In the treatment with homogenous catalyst degradation reached 99%. V. fischeri toxicity test has shown greater sensitivity to ibuprofen solution after the Fenton treatment in comparison to A. salina. - Highlights: • Twelve ibuprofen degradation products were identified in total. • The degradation percentage differed between treatments (DBD/Fe{sup 2+} was 99%). • In DBD/Fe{sup 2+} only aliphatic degradation products were identified. • V. fischeri was sensitive to ibuprofen solution after the Fenton treatment. • A. salina showed no toxic effect when exposed to all post treatment solutions.

  8. Quantum state-resolved gas/surface reaction dynamics probed by reflection absorption infrared spectroscopy.

    Science.gov (United States)

    Chen, Li; Ueta, Hirokazu; Bisson, Régis; Beck, Rainer D

    2013-05-01

    We report the design and characterization of a new molecular-beam/surface-science apparatus for quantum state-resolved studies of gas/surface reaction dynamics combining optical state-specific reactant preparation in a molecular beam by rapid adiabatic passage with detection of surface-bound reaction products by reflection absorption infrared spectroscopy (RAIRS). RAIRS is a non-invasive infrared spectroscopic detection technique that enables online monitoring of the buildup of reaction products on the target surface during reactant deposition by a molecular beam. The product uptake rate obtained by calibrated RAIRS detection yields the coverage dependent state-resolved reaction probability S(θ). Furthermore, the infrared absorption spectra of the adsorbed products obtained by the RAIRS technique provide structural information, which help to identify nascent reaction products, investigate reaction pathways, and determine branching ratios for different pathways of a chemisorption reaction. Measurements of the dissociative chemisorption of methane on Pt(111) with this new apparatus are presented to illustrate the utility of RAIRS detection for highly detailed studies of chemical reactions at the gas/surface interface.

  9. Exit channel dynamics in a micro-hydrated SN2 reaction of the hydroxyl anion.

    Science.gov (United States)

    Otto, R; Brox, J; Trippel, S; Stei, M; Best, T; Wester, R

    2013-08-29

    We report on the reaction dynamics of the monosolvated SN2 reaction of cold OH(-)(H2O) with CH3I that have been studied using crossed beam ion imaging. Two SN2 reaction channels are possible for this reaction: Formation of unsolvated I(-) and of solvated I(-)(H2O) products. We find a strong preference for the formation of unsolvated I(-) reaction products with respect to the energetically favored reaction toward solvated I(-)(H2O). Angle differential cross section measurements reveal similar velocity and angular distributions for all solvated and parts of the unsolvated reaction products. We furthermore find that the contribution of these two products to the total product flux can be described by the same collision energy dependence. We interpret our findings in terms of a joint reaction mechanism in which a CH3OH(H2O)···I(-) complex is formed that decays into either solvated or unsolvated products. Quantum chemical calculation are used to support this assumption.

  10. Dynamical Modes and Mechanisms in Ternary Reaction of 197Au+197Au

    Science.gov (United States)

    Tian, Jun-Long; Hao, Hong-Jun; Yuan, Su-Zhen; Li, Xue-Qin

    2011-08-01

    The modes of ternary reaction of 197Au+197Au at an energy of 15A MeV are dynamically studied by the improved quantum molecular dynamics model. Three kinds of modes are found by the time evolution of the configurations of the composite reaction systems: One is the direct mode for which the two time separations of the system happen almost simultaneously. Another is the cascade mode for which a two-step process is clearly shown. The third is oblate mode, a kind of very rare fission event. In this case the composite system deforms to a triangle-like configuration with three necks, and then it forms three equally sized fragments along space-symmetric directions in the reaction plane.

  11. Dynamical Dipole mode in heavy-ion fusion reactions by using stable and radioactive beams

    Directory of Open Access Journals (Sweden)

    Molini P.

    2011-10-01

    Full Text Available The existence of the dynamical dipole mode in the 192Pb composite system was investigated through the study of its prompt γ decay employing the 40Ca + 152Sm and 48Ca + 144Sm reactions at Elab =11 and 10.1 MeV/u, respectively. The γ-rays and light charged particles were detected in coincidence with evaporation residues and fission fragments. First results of this experiment show that the dynamical dipole mode survives in collisions involving heavier mass reaction partners than those studied previously. As a fast cooling mechanism on the fusion path, the prompt dipole γ radiation could be of interest for the synthesis of super-heavy elements through ”hot” fusion reactions. Furthermore, by using radioactive beams and the prompt γ radiation as a probe we could get information on the symmetry energy at sub-saturation densities.

  12. Dynamical Behavior of Core 3 He Nuclear Reaction-Diffusion Systems and Sun's Gravitational Field

    Institute of Scientific and Technical Information of China (English)

    DU Jiulin; SHEN Hong

    2005-01-01

    The coupling of the sun's gravitational field with processes of diffusion and convection exerts a significant influence on the dynamical behavior of the core 3He nuclear reaction-diffusion system. Stability analyses of the system are made in this paper by using the theory of nonequilibrium dynamics. It is showed that, in the nuclear reaction regions extending from the center to about 0.38 times of the radius of the sun, the gravitational field enables the core 3He nuclear reaction-diffusion system to become unstable and, after the instability, new states to appear in the system have characteristic of time oscillation. This may change the production rates of both 7Be and 8B neutrinos.

  13. Chiral Dynamics and Dubna-Mainz-Taipei Dynamical Model for Pion-Photoproduction Reaction

    CERN Document Server

    Yang, Shin Nan

    2010-01-01

    We demonstrate that the Dubna-Mainz-Taipei (DMT) meson-exchange dynamical model, which starts from an effective chiral Lagrangian, for pion photoproduction provides an excellent and economic framework to describe both the pi^0 threshold production and the Delta deformation, two features dictated by chiral dynamics.

  14. Dynamics and Kinetics Study of "In-Water" Chemical Reactions by Enhanced Sampling of Reactive Trajectories.

    Science.gov (United States)

    Zhang, Jun; Yang, Y Isaac; Yang, Lijiang; Gao, Yi Qin

    2015-11-12

    High potential energy barriers and engagement of solvent coordinates set challenges for in silico studies of chemical reactions, and one is quite commonly limited to study reactions along predefined reaction coordinate(s). A systematic protocol, QM/MM MD simulations using enhanced sampling of reactive trajectories (ESoRT), is established to quantitatively study chemical transitions in complex systems. A number of trajectories for Claisen rearrangement in water and toluene were collected and analyzed, respectively. Evidence was found that the bond making and breaking during this reaction are concerted processes in solutions, preferentially through a chairlike configuration. Water plays an important dynamic role that helps stabilize the transition sate, and the dipole-dipole interaction between water and the solute also lowers the transition barrier. The calculated rate coefficient is consistent with the experimental measurement. Compared with water, the reaction pathway in toluene is "narrower" and the reaction rate is slower by almost three orders of magnitude due to the absence of proper interactions to stabilize the transition state. This study suggests that the "in-water" nature of the Claisen rearrangement in aqueous solution influences its thermodynamics, kinetics, as well as dynamics.

  15. Dynamics of electronegative plasmas for materials processing. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Lichtenberg, A.J.; Lieberman, M.A.

    1996-12-31

    The purpose of this project is to study the equilibrium particle and energy balance and the heating mechanisms in electronegative r.f. discharges. Particular attention is given to the formation of non-Maxwellian electron distributions and their effect on the macroscopic parameters. The research includes theory, particle-in-cell simulation, and experimental investigations. The sheath heating theory and the simulation results developed for electropositive plasmas are used to guide the investigations. The investigation was centered on, but is not limited to, the study of oxygen feedstock gas in capacitively and inductively coupled r.f. discharges. 15 refs.

  16. On the study of nonlinear dynamics of complex chemical reaction systems

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    With ever-increasing attentions being paid to complex systems such as the life system, soft matter, and nano-systems, theoretical studies of non-equilibrium nonlinear problems involved in chemical dynamics are now of general interest. In this mini-review, we mainly give a brief introduction to some frontier topics in this field, namely, nonlinear state-state dynamics, nonlinear chemical dynamics on complex networks, and nonlinear dynamics in mesoscopic chemical reaction systems. Deep study of these topics will make great contribution to discovering new laws of chemical dynamics, to exploring new control methods of complex chemical processes, to figuring out the very roles of chemical processes in the life system, and to crosslinking the scientific study of chemistry, physics and biology.

  17. Simulation of Main Plasma Parameters of a Cylindrical Asymmetric Capacitively Coupled Plasma Micro-Thruster using Computational Fluid Dynamics

    Directory of Open Access Journals (Sweden)

    Amelia eGreig

    2015-01-01

    Full Text Available Computational fluid dynamics (CFD simulations of a radio-frequency (13.56 MHz electro-thermal capacitively coupled plasma (CCP micro-thruster have been performed using the commercial CFD-ACE+ package. Standard operating conditions of a 10 W, 1.5 Torr argon discharge were used to compare with previously obtained experimental results for validation. Results show that the driving force behind plasma production within the thruster is ion-induced secondary electrons ejected from the surface of the discharge tube, accelerated through the sheath to electron temperatures up to 33.5 eV. The secondary electron coefficient was varied to determine the effect on the discharge, with results showing that full breakdown of the discharge did not occur for coefficients coefficients less than or equal to 0.01.

  18. Temperature dynamics and velocity scaling laws for interchange driven, warm ion plasma filaments

    Science.gov (United States)

    Olsen, Jeppe; Madsen, Jens; Nielsen, Anders Henry; Rasmussen, Jens Juul; Naulin, Volker

    2016-04-01

    The influence of electron and ion temperature dynamics on the radial convection of isolated structures in magnetically confined plasmas is investigated by means of numerical simulations. It is demonstrated that the maximum radial velocity of these plasma blobs roughly follows the inertial velocity scaling, which is proportional to the ion acoustic speed times the square root of the filament particle density times the sum of the electron and ion temperature perturbations. Only for small blobs the cross field convection does not follow this scaling. The influence of finite Larmor radius effects on the cross-field blob convection is shown not to depend strongly on the dynamical ion temperature field. The blob dynamics of constant finite and dynamical ion temperature blobs is similar. When the blob size is on the order of 10 times the ion Larmor radius the blobs stay coherent and decelerate slowly compared to larger blobs which dissipate faster due to fragmentation and turbulent mixing.

  19. Kinetic mechanism of molecular energy transfer and chemical reactions in low-temperature air-fuel plasmas.

    Science.gov (United States)

    Adamovich, Igor V; Li, Ting; Lempert, Walter R

    2015-08-13

    This work describes the kinetic mechanism of coupled molecular energy transfer and chemical reactions in low-temperature air, H2-air and hydrocarbon-air plasmas sustained by nanosecond pulse discharges (single-pulse or repetitive pulse burst). The model incorporates electron impact processes, state-specific N(2) vibrational energy transfer, reactions of excited electronic species of N(2), O(2), N and O, and 'conventional' chemical reactions (Konnov mechanism). Effects of diffusion and conduction heat transfer, energy coupled to the cathode layer and gasdynamic compression/expansion are incorporated as quasi-zero-dimensional corrections. The model is exercised using a combination of freeware (Bolsig+) and commercial software (ChemKin-Pro). The model predictions are validated using time-resolved measurements of temperature and N(2) vibrational level populations in nanosecond pulse discharges in air in plane-to-plane and sphere-to-sphere geometry; temperature and OH number density after nanosecond pulse burst discharges in lean H(2)-air, CH(4)-air and C(2)H(4)-air mixtures; and temperature after the nanosecond pulse discharge burst during plasma-assisted ignition of lean H2-mixtures, showing good agreement with the data. The model predictions for OH number density in lean C(3)H(8)-air mixtures differ from the experimental results, over-predicting its absolute value and failing to predict transient OH rise and decay after the discharge burst. The agreement with the data for C(3)H(8)-air is improved considerably if a different conventional hydrocarbon chemistry reaction set (LLNL methane-n-butane flame mechanism) is used. The results of mechanism validation demonstrate its applicability for analysis of plasma chemical oxidation and ignition of low-temperature H(2)-air, CH(4)-air and C(2)H(4)-air mixtures using nanosecond pulse discharges. Kinetic modelling of low-temperature plasma excited propane-air mixtures demonstrates the need for development of a more accurate

  20. Dynamic properties of small-scale solar wind plasma fluctuations.

    Science.gov (United States)

    Riazantseva, M O; Budaev, V P; Zelenyi, L M; Zastenker, G N; Pavlos, G P; Safrankova, J; Nemecek, Z; Prech, L; Nemec, F

    2015-05-13

    The paper presents the latest results of the studies of small-scale fluctuations in a turbulent flow of solar wind (SW) using measurements with extremely high temporal resolution (up to 0.03 s) of the bright monitor of SW (BMSW) plasma spectrometer operating on astrophysical SPECTR-R spacecraft at distances up to 350,000 km from the Earth. The spectra of SW ion flux fluctuations in the range of scales between 0.03 and 100 s are systematically analysed. The difference of slopes in low- and high-frequency parts of spectra and the frequency of the break point between these two characteristic slopes was analysed for different conditions in the SW. The statistical properties of the SW ion flux fluctuations were thoroughly analysed on scales less than 10 s. A high level of intermittency is demonstrated. The extended self-similarity of SW ion flux turbulent flow is constantly observed. The approximation of non-Gaussian probability distribution function of ion flux fluctuations by the Tsallis statistics shows the non-extensive character of SW fluctuations. Statistical characteristics of ion flux fluctuations are compared with the predictions of a log-Poisson model. The log-Poisson parametrization of the structure function scaling has shown that well-defined filament-like plasma structures are, as a rule, observed in the turbulent SW flows.

  1. AURORA: A FORTRAN program for modeling well stirred plasma and thermal reactors with gas and surface reactions

    Energy Technology Data Exchange (ETDEWEB)

    Meeks, E.; Grcar, J.F.; Kee, R.J. [Sandia National Labs., Livermore, CA (United States). Thermal and Plasma Processes Dept.; Moffat, H.K. [Sandia National Labs., Albuquerque, NM (United States). Surface Processing Sciences Dept.

    1996-02-01

    The AURORA Software is a FORTRAN computer program that predicts the steady-state or time-averaged properties of a well mixed or perfectly stirred reactor for plasma or thermal chemistry systems. The software was based on the previously released software, SURFACE PSR which was written for application to thermal CVD reactor systems. AURORA allows modeling of non-thermal, plasma reactors with the determination of ion and electron concentrations and the electron temperature, in addition to the neutral radical species concentrations. Well stirred reactors are characterized by a reactor volume, residence time or mass flow rate, heat loss or gas temperature, surface area, surface temperature, the incoming temperature and mixture composition, as well as the power deposited into the plasma for non-thermal systems. The model described here accounts for finite-rate elementary chemical reactions both in the gas phase and on the surface. The governing equations are a system of nonlinear algebraic relations. The program solves these equations using a hybrid Newton/time-integration method embodied by the software package TWOPNT. The program runs in conjunction with the new CHEMKIN-III and SURFACE CHEMKIN-III packages, which handle the chemical reaction mechanisms for thermal and non-thermal systems. CHEMKIN-III allows for specification of electron-impact reactions, excitation losses, and elastic-collision losses for electrons.

  2. Molecular dynamics study of phase separation in fluids with chemical reactions.

    Science.gov (United States)

    Krishnan, Raishma; Puri, Sanjay

    2015-11-01

    We present results from the first d=3 molecular dynamics (MD) study of phase-separating fluid mixtures (AB) with simple chemical reactions (A⇌B). We focus on the case where the rates of forward and backward reactions are equal. The chemical reactions compete with segregation, and the coarsening system settles into a steady-state mesoscale morphology. However, hydrodynamic effects destroy the lamellar morphology which characterizes the diffusive case. This has important consequences for the phase-separating structure, which we study in detail. In particular, the equilibrium length scale (ℓ(eq)) in the steady state suggests a power-law dependence on the reaction rate ε:ℓ(eq)∼ε(-θ) with θ≃1.0.

  3. Nonadiabatic quantum dynamics calculations for the N + NH --> N(2) + H reaction.

    Science.gov (United States)

    Yang, Huan; Hankel, M; Varandas, Antonio; Han, Keli

    2010-09-01

    Nonadiabatic quantum dynamics calculations on the two coupled potential energy surfaces (PESs) (1(2)A' and 2(2)A') and also adiabatic quantum calculations on the lowest adiabatic PES are reported for the title reaction. Reaction probabilities for total angular momenta, J, varying from 0 to 160, are calculated to obtain the integral cross section (ICS) for collision energies ranging from 0.05 to 1.0 eV. Calculations using both the close coupling and the Centrifugal Sudden (CS) approximation are carried out to evaluate the role of Coriolis coupling effects for this reaction. The results of the nonadiabatic calculations show that the nonadiabatic effects in the title reaction for the initial state of NH (v = 0, j = 0) could be neglected, at least in the collision energy range considered in this study.

  4. Energetics and Dynamics of the Reactions of O(3P) with Dimethyl Methylphosphonate and Sarin

    Science.gov (United States)

    Conforti, Patrick F.; Braunstein, Matthew; Dodd, James A.

    2009-10-01

    Electronic structure and molecular dynamics calculations were performed on the reaction systems O(3P) + sarin and O(3P) + dimethyl methylphosphonate (DMMP), a sarin simulant. Transition state geometries, energies, and heats of reaction for the major reaction pathways were determined at several levels of theory, including AM1, B3LYP/6-311+G(d,p), and CBS-QB3. The major reaction pathways for both systems are similar and include H-atom abstraction, H-atom elimination, and methyl elimination, in rough order from low to high energy. The H-atom abstraction channels have fairly low barriers (˜10 kcal mol-1) and are close to thermoneutral, while the other channels have relatively high energy barriers (>40 kcal mol-1) and a wide range of reaction enthalpies. We have also found a two-step pathway leading to methyl elimination through O-atom attack on the phosphorus atom for DMMP and sarin. For sarin, the two-step methyl elimination pathway is significantly lower in energy than the single-step pathway. We also present results of O(3P) + sarin and O(3P) + DMMP reaction cross sections over a broad range of collision energies (2-10 km s-1 collision velocities) obtained using the direct dynamics method with an AM1 semiempirical potential. These excitation functions are intended as an approximate guide to future hyperthermal measurements, which to our knowledge have not yet examined either of these systems. The reaction barriers, reaction enthalpies, transition state structures, and excitation functions are generally similar for DMMP and sarin, with some moderate differences for methyl elimination energetics, which indicates DMMP will likely be a good substitute for sarin in many O(3P) chemical investigations.

  5. Demonstrating universal scaling for dynamics of Yukawa one-component plasmas after an interaction quench

    Science.gov (United States)

    Langin, T. K.; Strickler, T.; Maksimovic, N.; McQuillen, P.; Pohl, T.; Vrinceanu, D.; Killian, T. C.

    2016-02-01

    The Yukawa one-component plasma (OCP) model is a paradigm for describing plasmas that contain one component of interest and one or more other components that can be treated as a neutralizing, screening background. In appropriately scaled units, interactions are characterized entirely by a screening parameter, κ . As a result, systems of similar κ show the same dynamics, regardless of the underlying parameters (e.g., density and temperature). We demonstrate this behavior using ultracold neutral plasmas (UNPs) created by photoionizing a cold (T ≤10 mK) gas. The ions in UNP systems are well described by the Yukawa model, with the electrons providing the screening. Creation of the plasma through photoionization can be thought of as a rapid quench of the interaction potential from κ =∞ to a final κ value set by the electron density and temperature. We demonstrate experimentally that the postquench dynamics are universal in κ over a factor of 30 in density and an order of magnitude in temperature. Results are compared with molecular-dynamics simulations. We also demonstrate that features of the postquench kinetic energy evolution, such as disorder-induced heating and kinetic-energy oscillations, can be used to determine the plasma density and the electron temperature.

  6. Dynamic monitoring of total plasma homocysteine in spontaneously hypertensive rats by LC-MS.

    Science.gov (United States)

    Hu, Lu-Feng; Li, Jun-Wei; Wang, Xian-Qin; Xu, Ren-Ai; Xu, Xue-Gu; Jiang, Hai-Yan; Zhang, Xiu-Hua

    2010-10-01

    Hypertension has been recognized to be closely related to plasma homocysteine levels (tHcy). Spontaneously hypertensive rats (SHR) are used widely for hypertension research, but it is unclear whether hypertension is related to high levels of tHcy in rat plasma. To test whether hyperhomocysteinemia occurs in SHR we dynamically measured plasma total homocysteine (tHcy) in SHR by liquid chromatography-tandem mass spectrometry (LC-MS). This analytical method has good linearity within the range of 1-100 micromol/L for tHcy in rat plasma with a correlation coefficient of R = 0.9975. After dynamic monitoring (12 weeks) on the plasma tHcy in SHR and Wistar-Kyoto rats, we found that there was no significant difference in tHcy level between SHR and Wistar-Kyoto rats, which was 6.98 +/- 1.82 micromol/L and 8.04 +/- 1.64 micromol/L, respectively. And there was no significantly high level of plasma tHcy in SHR.

  7. Unified equation for access to rate constants of first-order reactions in dynamic and on-column reaction chromatography.

    Science.gov (United States)

    Trapp, O

    2006-01-01

    A unified equation to evaluate elution profiles of reversible as well as irreversible (pseudo-) first-order reactions in dynamic chromatography and on-column reaction chromatography has been derived. Rate constants k1 and k(-1) and Gibbs activation energies are directly obtained from the chromatographic parameters (retention times tR(A) and tR(B) of the interconverting or reacting species A and B, the peak widths at half-height wA and wB, and the relative plateau height h(p)), the initial amounts A0 and B0 of the reacting species, and the equilibrium constant K(A/B). The calculation of rate constants requires only a few iterative steps without the need of performing a computationally extensive simulation of elution profiles. The unified equation was validated by comparison with a data set of 125,000 simulated elution profiles to confirm the quality of this equation by statistical means and to predict the minimal experimental requirements. Surprisingly, the recovery rate from a defined data set is on average 35% higher using the unified equation compared to the evaluation by iterative computer simulation.

  8. Numerical simulation of physicochemical interactions between oxygen atom and phosphatidylcholine due to direct irradiation of atmospheric pressure nonequilibrium plasma to biological membrane with quantum mechanical molecular dynamics

    Science.gov (United States)

    Uchida, Satoshi; Yoshida, Taketo; Tochikubo, Fumiyoshi

    2017-10-01

    Plasma medicine is one of the most attractive applications using atmospheric pressure nonequilibrium plasma. With respect to direct contact of the discharge plasma with a biological membrane, reactive oxygen species play an important role in induction of medical effects. However, complicated interactions between the plasma radicals and membrane have not been understood well. In the present work, we simulated elemental processes at the first stage of physicochemical interactions between oxygen atom and phosphatidylcholine using the quantum mechanical molecular dynamics code in a general software AMBER. The change in the above processes was classified according to the incident energy of oxygen atom. At an energy of 1 eV, the abstraction of a hydrogen atom and recombination to phosphatidylcholine were simultaneously occurred in chemical attachment of incident oxygen atom. The exothermal energy of the reaction was about 80% of estimated one based on the bond energies of ethane. An oxygen atom over 10 eV separated phosphatidylcholine partially. The behaviour became increasingly similar to physical sputtering. The reaction probability of oxygen atom was remarkably high in comparison with that of hydrogen peroxide. These results suggest that we can uniformly estimate various physicochemical dynamics of reactive oxygen species against membrane lipids.

  9. Phase Space Dynamics of Ionization Injection in Plasma Based Accelerators

    CERN Document Server

    Xu, X L; Li, F; Zhang, C J; Yan, L X; Du, Y C; Huang, W H; Chen, H B; Tang, C X; Lu, W; Yu, P; An, W; Mori, W B; Joshi, C

    2013-01-01

    The evolution of beam phase space in ionization-induced injection into plasma wakefields is studied using theory and particle-in-cell (PIC) simulations. The injection process causes special longitudinal and transverse phase mixing leading initially to a rapid emittance growth followed by oscillation, decay, and eventual slow growth to saturation. An analytic theory for this evolution is presented that includes the effects of injection distance (time), acceleration distance, wakefield structure, and nonlinear space charge forces. Formulas for the emittance in the low and high space charge regimes are presented. The theory is verified through PIC simulations and a good agreement is obtained. This work shows how ultra-low emittance beams can be produced using ionization-induced injection.

  10. Dynamical conductivity of boron carbide: heavily damped plasma vibrations.

    Science.gov (United States)

    Werheit, Helmut; Gerlach, Guido

    2014-10-22

    The FIR reflectivity spectra of boron carbide, measured down to ω~10 cm(-1) between 100 and 800 K, are essentially determined by heavily damped plasma vibrations. The spectra are fitted applying the classical Drude-Lorentz theory of free carriers. The fitting Parameter Π=ωp/ωτ yields the carrier densities, which are immediately correlated with the concentration of structural defects in the homogeneity range. This correlation is proved for band-type and hopping conductivity. The effective mass of free holes in the valence band is estimated at m*/me~2.5. The mean free path of the free holes has the order of the cell parameters.

  11. Reaction mechanisms of aqueous monoethanolamine with carbon dioxide: a combined quantum chemical and molecular dynamics study.

    Science.gov (United States)

    Hwang, Gyeong S; Stowe, Haley M; Paek, Eunsu; Manogaran, Dhivya

    2015-01-14

    Aqueous monoethanolamine (MEA) has been extensively studied as a solvent for CO2 capture, yet the underlying reaction mechanisms are still not fully understood. Combined ab initio and classical molecular dynamics simulations were performed to revisit and identify key elementary reactions and intermediates in 25-30 wt% aqueous MEA with CO2, by explicitly taking into account the structural and dynamic effects. Using static quantum chemical calculations, we also analyzed in more detail the fundamental interactions involved in the MEA-CO2 reaction. We find that both the CO2 capture by MEA and solvent regeneration follow a zwitterion-mediated two-step mechanism; from the zwitterionic intermediate, the relative probability between deprotonation (carbamate formation) and CO2 removal (MEA regeneration) tends to be determined largely by the interaction between the zwitterion and neighboring H2O molecules. In addition, our calculations clearly demonstrate that proton transfer in the MEA-CO2-H2O solution primarily occurs through H-bonded water bridges, and thus the availability and arrangement of H2O molecules also directly impacts the protonation and/or deprotonation of MEA and its derivatives. This improved understanding should contribute to developing more comprehensive kinetic models for use in modeling and optimizing the CO2 capture process. Moreover, this work highlights the importance of a detailed atomic-level description of the solution structure and dynamics in order to better understand molecular mechanisms underlying the reaction of CO2 with aqueous amines.

  12. Should Thermostatted Ring Polymer Molecular Dynamics be used to calculate reaction rates?

    CERN Document Server

    Hele, Timothy J H

    2015-01-01

    We apply Thermostatted Ring Polymer Molecular Dynamics (TRPMD), a recently-proposed approximate quantum dynamics method, to the computation of thermal reaction rates. Its short-time Transition-State Theory (TST) limit is identical to rigorous Quantum Transition-State Theory, and we find that its long-time limit is independent of the location of the dividing surface. TRPMD rate theory is then applied to one-dimensional model systems, the atom-diatom bimolecular reactions H+H$_2$, D+MuH and F+H$_2$, and the prototypical polyatomic reaction H+CH$_4$. Above the crossover temperature, the TRPMD rate is virtually invariant to the strength of the friction applied to the internal ring-polymer normal modes, and beneath the crossover temperature the TRPMD rate generally decreases with increasing friction, in agreement with the predictions of Kramers theory. We therefore find that TRPMD is less accurate than Ring Polymer Molecular Dynamics (RPMD) for symmetric reactions, and in certain asymmetric systems closer to the q...

  13. Should thermostatted ring polymer molecular dynamics be used to calculate thermal reaction rates?

    Energy Technology Data Exchange (ETDEWEB)

    Hele, Timothy J. H., E-mail: tjhh2@cam.ac.uk [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom); Suleimanov, Yury V. [Computation-based Science and Technology Research Center, Cyprus Institute, 20 Kavafi St., Nicosia 2121 (Cyprus); Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139 (United States)

    2015-08-21

    We apply Thermostatted Ring Polymer Molecular Dynamics (TRPMD), a recently proposed approximate quantum dynamics method, to the computation of thermal reaction rates. Its short-time transition-state theory limit is identical to rigorous quantum transition-state theory, and we find that its long-time limit is independent of the location of the dividing surface. TRPMD rate theory is then applied to one-dimensional model systems, the atom-diatom bimolecular reactions H + H{sub 2}, D + MuH, and F + H{sub 2}, and the prototypical polyatomic reaction H + CH{sub 4}. Above the crossover temperature, the TRPMD rate is virtually invariant to the strength of the friction applied to the internal ring-polymer normal modes, and beneath the crossover temperature the TRPMD rate generally decreases with increasing friction, in agreement with the predictions of Kramers theory. We therefore find that TRPMD is approximately equal to, or less accurate than, ring polymer molecular dynamics for symmetric reactions, and for certain asymmetric systems and friction parameters closer to the quantum result, providing a basis for further assessment of the accuracy of this method.

  14. On the role of wave-particle interactions in the macroscopic dynamics of collisionless plasmas

    CERN Document Server

    Wilson, Lynn B; Osmane, Adnane; Malaspina, David M

    2015-01-01

    What is the relative importance of small-scale (i.e., electron to sub-electron scales), microphysical plasma processes to the acceleration of particles from thermal to suprathermal or even to cosmic-ray energies? Additionally, can these microphysical plasma processes influence or even dominate macroscopic (i.e., greater than ion scales) processes, thus affecting global dynamics? These are fundamental and unresolved questions in plasma and astrophysical research. Recent observations of large amplitude electromagnetic waves in the terrestrial radiation belts [i.e., Cattell et al., 2008; Kellogg et al., 2010; Wilson III et al., 2011] and in collisionless shock waves [i.e., Wilson III et al., 2014a,b] have raised questions regarding the macrophysical effect of these microscopic waves. The processes thought to dominate particle acceleration and the macroscopic dynamics in both regions have been brought into question with these recent observations. The relative importance of wave-particle interactions has recently ...

  15. 3D particle tracking velocimetry using dynamic discrete tomography for plasma physics applications

    DEFF Research Database (Denmark)

    Moseev, Dmitry; Alpers, Andreas; Gritzmann, Peter

    2013-01-01

    -pixel sized particles as greylevel images. Reconstructions obtained by these methods do not necessarily match the experimental data. We propose a new algorithm which can be used for tracking dust particles in tokamaks and stellarators, as well as in low-temperature and complex plasmas. The dynamic discrete...

  16. Plasma flow structures as analytical solution of a magneto-hydro-dynamic model with pressure

    Science.gov (United States)

    Paccagnella, R.

    2012-03-01

    In this work starting from a set of magnetohydrodynamic (MHD) equations that describe the dynamical evolution for the pressure driven resistive/interchange modes in a magnetic confinement system, global solutions for the plasma flow relevant for toroidal pinches like tokamaks and reversed field pinches (RFPs) are derived. Analytical solutions for the flow stream function associated with the dominant modes are presented.

  17. Advanced Fluorescence Microscopy Approaches to Understand the Dynamic Organization of the Plasma Membrane in Eukaryotes

    DEFF Research Database (Denmark)

    Ziomkiewicz, Iwona

    The plasma membrane (PM) is a physical barrier that defines the boundaries of a cell. It not only isolates the cell interior from the environment, but also enables cell communication and a selective exchange of solutes. To serve those contrasting functions, the PM has a dynamic structure consisting...

  18. Nonlinear dynamics of beam-plasma instability in a finite magnetic field

    Science.gov (United States)

    Bogdankevich, I. L.; Goncharov, P. Yu.; Gusein-zade, N. G.; Ignatov, A. M.

    2017-06-01

    The nonlinear dynamics of beam-plasma instability in a finite magnetic field is investigated numerically. In particular, it is shown that decay instability can develop. Special attention is paid to the influence of the beam-plasma coupling factor on the spectral characteristics of a plasma relativistic microwave accelerator (PRMA) at different values of the magnetic field. It is shown that two qualitatively different physical regimes take place at two values of the external magnetic field: B 0 = 4.5 kG (Ω ω B p ) and 20 kG (Ω B ≫ ωp). For B 0 = 4.5 kG, close to the actual experimental value, there exists an optimal value of the gap length between the relativistic electron beam and the plasma (and, accordingly, an optimal value of the coupling factor) at which the PRMA output power increases appreciably, while the noise level decreases.

  19. Cathode configuration influence on low-inductance vacuum spark plasma dynamics

    Science.gov (United States)

    Sarantsev, S. A.; Dvoeglazov, Ya M.; Dodulad, E. I.; Raevsky, I. F.; Savjolov, A. S.

    2016-09-01

    The results of studies of cathode configuration influence on high current low- inductance vacuum spark (HLVS) plasma dynamics are presented in this work. The research was carried out on “PION” installation using shadowgraphy method. Molecular nitrogen laser (λ = 337 nm) was used as a radiation source. It was determined that the HLVS behavior changes with the increase of number of discharges. In a fresh electrode system (less than 200 discharges) the dependence of constriction position on the discharge trigger position is observed during HLVS development. Also, high gradients of plasma density and secondary constrictions are observed. In a previously exploited electrode system (more than 300 discharges) HLVS behavior changes: plasma density gradients become less expressed, secondary constrictions disappear. In electrode systems with highly developed cathode surface plasma density gradient distribution pattern only slightly changes from discharge to discharge, e.g. the discharge becomes more stable.

  20. DYNAMIC ADHESIVE WETTABILITY OF POPLAR VENEER WITH COLD OXYGEN PLASMA TREATMENT

    Directory of Open Access Journals (Sweden)

    Lijuan Tang,

    2012-06-01

    Full Text Available Effects of cold oxygen plasma treatment on activating the surface of poplar veneers and improving its wettability were investigated. The veneers were treated with cold oxygen plasma for 1, 3, 5, 7, and 9 min, and aged in air for 1, 3, 7, 14, 21, and 28 days. The dynamic adhesive wettability of veneers was assessed using the contact angle, K-value analysis, and surface free energy. The shear strength of three-layer panels produced from untreated and cold oxygen plasma treated veneers was examined. The results showed that the wettability of veneer was significantly improved after cold oxygen plasma treatment, leading to the enhancement of shear strength of panels. The optimized treatment time should be 7 min. Aging effect of treated veneers showed that the veneer surface wettability degraded within the first 7 days and thereafter changed slightly.

  1. Ionic Debye Screening in Dense Liquid Plasmas Observed for Li+p,d Reactions with Liquid Li Target

    Institute of Scientific and Technical Information of China (English)

    J.Kasagi; H.Yonemura; Y.Toriyabe; A.Nakagawa; T.Sugawara; WANG Tie-shan

    2009-01-01

    Thick target yields of a particles emitted in the ~6Li(d,a)~4 He and ~7Li(p,a)~4 He reactions were measured for Li target in the solid and liquid phase.Observed reaction rates for the liquid Li are always larger than those for the solid.This suggests that the stopping power of hydrogen ion in the liquid Li metal might be smaller than in the solid.Using the empirically obtained stopping power for the liquid Li,we have deduced the screening potentials of the Li+p and Li+d reactions in both phases.The deduced screening potential for the liquid Li is about 500 eV larger than for the solid.This difference is attributed to the effect of liquefied Li~+ ions.It is concluded that the ionic screening is much stronger than the electronic screening in a low-temperature dense plasmas.

  2. Analysis of dynamical process with mass distribution of fission fragmentin heavy ion reactions

    Directory of Open Access Journals (Sweden)

    Aritomo Y.

    2010-03-01

    Full Text Available We analyzed experimental data obtained for the mass distribution of fission fragments in the reactions 36S+238U and 30Si+238U at several incident energies, which were performed by the JAEA group. Using the dynamical model with the Langevin equation, we precisely investigate the incident energy dependence of the mass distribution of fission fragments. We also consider the fine structures in the mass distribution of fission fragments caused by the nuclear structure at a low incident energy. It is explained why the mass distribution of fission fragments has different features in the two reactions. The fusion cross sections are also estimated.

  3. 7Be- and 8B-reaction dynamics at Coulomb barrier energies

    Directory of Open Access Journals (Sweden)

    Mazzocco M.

    2016-01-01

    Full Text Available We investigated the reaction dynamics induced by the Radioactive Ion Beams 7Be and 8B on a 208Pb target at energies around the Coulomb barrier. The two measurements are strongly interconnected, being 7Be (Sα = 1.586 MeV the loosely bound core of the even more exotic 8B (Sp = 0.1375 MeV nucleus. Here we summarize the present status of the data analysis for the measurement of the elastic scattering process for both reactions and the preliminary results for the optical model analysis of the collected data.

  4. 7Be- and 8B-reaction dynamics at Coulomb barrier energies

    Science.gov (United States)

    Mazzocco, M.; Boiano, A.; Boiano, C.; La Commara, M.; Manea, C.; Parascandolo, C.; Pierroutsakou, D.; Signorini, C.; Strano, E.; Torresi, D.; Yamaguchi, H.; Kahl, D.; Acosta, L.; Di Meo, P.; Fernandez-Garcia, J. P.; Glodariu, T.; Grebosz, J.; Guglielmetti, A.; Imai, N.; Hirayama, Y.; Ishiyama, H.; Iwasa, N.; Jeong, S. C.; Jia, H. M.; Keeley, N.; Kim, Y. H.; Kimura, S.; Kubono, S.; Lay, J. A.; Lin, C. J.; Marquinez-Duran, G.; Martel, I.; Miyatake, H.; Mukai, M.; Nakao, T.; Nicoletto, M.; Pakou, A.; Rusek, K.; Sakaguchi, Y.; Sánchez-Benítez, A. M.; Sava, T.; Sgouros, O.; Stefanini, C.; Soramel, F.; Soukeras, V.; Stiliaris, E.; Stroe, L.; Teranishi, T.; Toniolo, N.; Wakabayashi, Y.; Watanabe, Y. X.; Yang, L.; Yang, Y. Y.

    2016-05-01

    We investigated the reaction dynamics induced by the Radioactive Ion Beams 7Be and 8B on a 208Pb target at energies around the Coulomb barrier. The two measurements are strongly interconnected, being 7Be (Sα = 1.586 MeV) the loosely bound core of the even more exotic 8B (Sp = 0.1375 MeV) nucleus. Here we summarize the present status of the data analysis for the measurement of the elastic scattering process for both reactions and the preliminary results for the optical model analysis of the collected data.

  5. Untangling the Energetics and Dynamics of Boron Monoxide Radical Reactions (11BO; X2Sigma+)

    Science.gov (United States)

    2015-04-15

    energy-density molecules and builds up on our previously successful synthesis of higher carbon oxides COx (x=3-6). Higher-order carbon sulfides - carbon...3.1. Crossed Beam Reactions of Boron Monoxide with Acetylene anmd Ethylene (P1, P8) The reaction dynamics of boron monoxide (BO; X2Σ...with acetylene (C2H2; X1Σg+) and with ethylene (C2H4; X1Ag) were investigated under single collision conditions at collision energy of 12 to 13 kJ mol

  6. Explosive-Emission Plasma Dynamics in Ion Diode in Double-Pulse Mode

    Science.gov (United States)

    Alexander, I. Pushkarev; Yulia, I. Isakova

    2011-12-01

    The results of an experimental investigation of explosive-emission plasma dynamics in an ion diode with self-magnetic insulation are presented. The investigations were accomplished at the TEMP-4M accelerator set in a mode of double pulse formation. Plasma behaviour in the anode-cathode gap was analyzed according to both the current-voltage characteristics of the diode (time resolution of 0.5 ns) and thermal imprints on a target (spatial resolution of 0.8 mm). It was shown that when plasma formation at the potential electrode was complete, and up until the second (positive) pulse, the explosive-emission plasma expanded across the anode-cathode gap with a speed of 1.3±0.2 cm/μs. After the voltage polarity at the potential electrode was reversed (second pulse), the plasma erosion in the anode-cathode gap (similar to the effect of a plasma opening switch) occurred. During the generation of an ion beam the size of the anode-cathode gap spacing was determined by the thickness of the plasma layer on the potential electrode and the layer thickness of the electrons drifting along the grounded electrode.

  7. Study of spatio-temporal dynamics of laser-hole boring in near critical plasma

    Science.gov (United States)

    Tochitsky, Sergei; Gong, Chao; Fiuza, Frederico; Pigeon, Jeremy; Joshi, Chan

    2015-11-01

    At high-intensities of light, radiation pressure becomes one of the dominant mechanisms in laser-plasma interaction. The radiation pressure of an intense laser pulse can steepen and push the critical density region of an overdense plasma creating a cavity or a hole. This hole boring phenomenon is of importance in fast-ignition fusion, high-gradient laser-plasma ion acceleration, and formation of collisionless shocks. Here multi-frame picosecond optical interferometry is used for the first direct measurements of space and time dynamics of the density cavity as it is pushed forward by a train of CO2 laser pulses in a helium plasma. The measured values of the hole boring velocity into an overdense plasma as a function of laser intensity are consistent with a theory based on energy and momentum balance between the heated plasma and the laser and with two-dimensional numerical simulations. We show possibility to extract a relative plasma electron temperature within the laser pulse by applying an analytical theory to the measured hole boring velocities. This work was supported by DOE grant DE-SC0010064.

  8. The complex-forming dynamics of Ne + NeH(D)+ (v = 0, 1; j = 0) reactions

    Science.gov (United States)

    Li, Wenliang

    2017-01-01

    The quasi-classical trajectory method has been employed to investigate the dynamics of the title reactions based on an accurate potential energy surface. The agreement between the QCT and quantum wave packet results is good for the integral cross sections and the reaction probabilities. The influences of the collision energy on the average lifetime of the complex-forming are also predicted. The polarization dependent differential cross sections of the title reactions are also calculated to uncover the reaction mechanism. The calculated results indicated that the collision energies play an important role in the complex-forming dynamics of the title reactions.

  9. Fusion plasma turbulence described by modified sandpile dynamics.

    Science.gov (United States)

    Ghendrih, Philippe; Ciraolo, Guido; Dif-Pradalier, Guilhem; Norscini, Claudia; Sarazin, Yanick; Abiteboul, Jérémie; Cartier-Michaud, Thomas; Garbet, Xavier; Grandgirard, Virginie; Strugarek, Antoine

    2014-04-01

    Transport in fusion plasmas is investigated with modified sandpile models. Based on results from more complete simulations, the sandpile model is modified in steps. Models with a constant source are obtained by coupling two sandpiles. Decoupling the mean field from the bursts allows one to develop a reduced model which captures some of the key features of flux-driven simulations. In the latter sandpile model, turbulent transport is mediated by the burst field while the mean-field gradient governs the transfer to the bursts. This allows one to investigate spreading, namely turbulent transport into stable regions, and transport barriers, regions where the transfer from the mean field to turbulence is reduced. Both cases are found to exhibit intermittent behaviors when the system undergoes spontaneous transitions between different transport regimes. Finally, one couples to the sandpile algorithm a species evolution algorithm that assigns a quality factor to each site. The latter appears to self-generate corrugations, or micro-barriers. These are found to naturally cluster radially in structures that are large enough to impact confinement. The mechanisms introduced to alleviate the clustering, destabilization of the corrugation by overloading and by secondary instabilities at critical radial extents, are shown to generate long-range relaxation events in space and in time with quasiperiodic reorganization of the corrugation pattern.

  10. Investigation of complexity dynamics in a DC glow discharge magnetized plasma using recurrence quantification analysis

    Energy Technology Data Exchange (ETDEWEB)

    Mitra, Vramori; Sarma, Bornali; Sarma, Arun [VIT University, Vandalur-Kelambakkam Road, Chennai 600 127, Tamil Nadu (India); Janaki, M. S.; Sekar Iyengar, A. N. [Plasma Physics Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India); Marwan, Norbert [Potsdam Institute for Climate Impact Research, PO Box 601203, 14412 Potsdam (Germany); Kurths, Jürgen [Potsdam Institute for Climate Impact Research, PO Box 601203, 14412 Potsdam (Germany); Institute for Complex Systems and Mathematical Biology, University of Aberdeen, Aberdeen AB24 3FX (United Kingdom)

    2016-06-15

    Recurrence is an ubiquitous feature which provides deep insights into the dynamics of real dynamical systems. A suitable tool for investigating recurrences is recurrence quantification analysis (RQA). It allows, e.g., the detection of regime transitions with respect to varying control parameters. We investigate the complexity of different coexisting nonlinear dynamical regimes of the plasma floating potential fluctuations at different magnetic fields and discharge voltages by using recurrence quantification variables, in particular, DET, L{sub max}, and Entropy. The recurrence analysis reveals that the predictability of the system strongly depends on discharge voltage. Furthermore, the persistent behaviour of the plasma time series is characterized by the Detrended fluctuation analysis technique to explore the complexity in terms of long range correlation. The enhancement of the discharge voltage at constant magnetic field increases the nonlinear correlations; hence, the complexity of the system decreases, which corroborates the RQA analysis.

  11. Dynamics of magnetically trapped particles foundations of the physics of radiation belts and space plasmas

    CERN Document Server

    Roederer, Juan G

    2014-01-01

    This book is a new edition of Roederer’s classic Dynamics of Geomagnetically Trapped Radiation, updated and considerably expanded. The main objective is to describe the dynamic properties of magnetically trapped particles in planetary radiation belts and plasmas and explain the physical processes involved from the theoretical point of view. The approach is to examine in detail the orbital and adiabatic motion of individual particles in typical configurations of magnetic and electric fields in the magnetosphere and, from there, derive basic features of the particles’ collective “macroscopic” behavior in general planetary environments. Emphasis is not on the “what” but on the “why” of particle phenomena in near-earth space, providing a solid and clear understanding of the principal basic physical mechanisms and dynamic processes involved. The book will also serve as an introduction to general space plasma physics, with abundant basic examples to illustrate and explain the physical origin of diff...

  12. Interdependence of conformational and chemical reaction dynamics during ion assembly in polar solvents.

    Science.gov (United States)

    Ji, Minbiao; Hartsock, Robert W; Sun, Zheng; Gaffney, Kelly J

    2011-10-01

    We have utilized time-resolved vibrational spectroscopy to study the interdependence of the conformational and chemical reaction dynamics of ion assembly in solution. We investigated the chemical interconversion dynamics of the LiNCS ion pair and the (LiNCS)(2) ion-pair dimer, as well as the spectral diffusion dynamics of these ionic assemblies. For the strongly coordinating Lewis base solvents benzonitrile, dimethyl carbonate, and ethyl acetate, we observe Li(+) coordination by both solvent molecules and NCS(-) anions, while the weak Lewis base solvent nitromethane shows no evidence for solvent coordination of Li(+) ions. The strong interaction between the ion-pair dimer structure and the Lewis base solvents leads to ion-pair dimer solvation dynamics that proceed more slowly than the ion-pair dimer dissociation. We have attributed the slow spectral diffusion dynamics to electrostatic reorganization of the solvent molecules coordinated to the Li(+) cations present in the ion-pair dimer structure and concluded that the dissociation of ion-pair dimers depends more critically on longer length scale electrostatic reorganization. This unusual inversion of the conformational and chemical reaction rates does not occur for ion-pair dimer dissociation in nitromethane or for ion pair association in any of the solvents.

  13. Inhibition of the mixed leucocyte culture reaction by plasma from renal transplatn recipients.

    Science.gov (United States)

    Singal, D P; Younglai, E V; Naipaul, N

    1975-02-01

    Plasma samples from 28 renal allograft recipients were studied for the presence of alloantibodies blocking MLC response. MLC blocking antibodies were found in plasma samples obtained from 19 recipients, six with rejected allograft and 13 with long-term surviving transplant. In many instances, these antibodies were found in the absence of detectable lymphocytotoxic antibodies. The MLC blocking activity resides in IgG fractions of plasma samples and was decreased only after absorption with lymphocytes, no effect on blocking was observed by absorption with platelets and fibroblasts.

  14. Shock tube experiments on nitromethane and Promotion of chemical reactions by non-thermal plasma

    Energy Technology Data Exchange (ETDEWEB)

    Seljeskog, Morten

    2002-06-01

    This dissertation was undertaken to study two different subjects both related to molecular decomposition by applying a shock tube and non-thermal plasma to decompose selected hydrocarbons. The first approach to molecular decomposition concerned thermal decomposition and oxidation of highly diluted nitromethane (NM) in a shock tube. Reflected shock tube experiments on NM decomposition, using mixtures of 0.2 to 1.5 vol% NM in nitrogen or argon were performed over the temperature range 850-1550 K and pressure range 190-900 kPa, with 46 experiments diluted in nitrogen and 44 diluted in argon. By residual error analysis of the measured decomposition profiles it was found that NM decomposition (CH{sub 3}NO{sub 2} + M {yields} CH{sub 3} + NO{sub 2} + M, where M = N{sub 2} /Ar) corresponds well to a law of first order. Arrhenius expressions corresponding to NM diluted either in N{sub 2} or in Ar were found as k{sub N2} = 10{sup 17.011} * exp(- 182.6 kJ/mole / R*T) and k{sub Ar} = 10{sup 17.574}*exp(-207 kJ/mole / R*T ) , respectively. A new reaction mechanism was then proposed, based on new experimental data for NM decomposition both in Ar and N{sub 2} and on three previously developed mechanisms. The new mechanism predicts well the decomposition of NM diluted in both N{sub 2} and Ar within the pressure and temperature range covered by the experiments. In parallel to, and following the decomposition experiments, oxidative experiments on the ignition delay times of NM/O{sub 2}/Ar mixtures were investigated over high temperature and low to high pressure ranges. These experiments were carried out with eight different mixtures of gaseous NM and oxygen diluted in argon, with pressures ranging between 44.3-600 kPa, and temperatures ranging between 842-1378 K. The oxidation experiments were divided into different categories according to the type of decomposition signals achieved. For signals with and without emission, the apparent quasi

  15. Shock tube experiments on nitromethane and Promotion of chemical reactions by non-thermal plasma

    Energy Technology Data Exchange (ETDEWEB)

    Seljeskog, Morten

    2002-06-01

    This dissertation was undertaken to study two different subjects both related to molecular decomposition by applying a shock tube and non-thermal plasma to decompose selected hydrocarbons. The first approach to molecular decomposition concerned thermal decomposition and oxidation of highly diluted nitromethane (NM) in a shock tube. Reflected shock tube experiments on NM decomposition, using mixtures of 0.2 to 1.5 vol% NM in nitrogen or argon were performed over the temperature range 850-1550 K and pressure range 190-900 kPa, with 46 experiments diluted in nitrogen and 44 diluted in argon. By residual error analysis of the measured decomposition profiles it was found that NM decomposition (CH{sub 3}NO{sub 2} + M {yields} CH{sub 3} + NO{sub 2} + M, where M = N{sub 2} /Ar) corresponds well to a law of first order. Arrhenius expressions corresponding to NM diluted either in N{sub 2} or in Ar were found as k{sub N2} = 10{sup 17.011} * exp(- 182.6 kJ/mole / R*T) and k{sub Ar} = 10{sup 17.574}*exp(-207 kJ/mole / R*T ) , respectively. A new reaction mechanism was then proposed, based on new experimental data for NM decomposition both in Ar and N{sub 2} and on three previously developed mechanisms. The new mechanism predicts well the decomposition of NM diluted in both N{sub 2} and Ar within the pressure and temperature range covered by the experiments. In parallel to, and following the decomposition experiments, oxidative experiments on the ignition delay times of NM/O{sub 2}/Ar mixtures were investigated over high temperature and low to high pressure ranges. These experiments were carried out with eight different mixtures of gaseous NM and oxygen diluted in argon, with pressures ranging between 44.3-600 kPa, and temperatures ranging between 842-1378 K. The oxidation experiments were divided into different categories according to the type of decomposition signals achieved. For signals with and without emission, the apparent quasi

  16. Equilibrium properties of the reaction H2 ⇌ 2H by classical molecular dynamics simulations.

    Science.gov (United States)

    Skorpa, Ragnhild; Simon, Jean-Marc; Bedeaux, Dick; Kjelstrup, Signe

    2014-01-21

    We have developed a classical molecular dynamics model for the hydrogen dissociation reaction, containing two- and three-particle potentials derived by Kohen, Tully and Stillinger. Two fluid densities were investigated for a wide range of temperatures, and 11 fluid densities were considered for one temperature. We report the temperature range where the degree of reaction is significant, and also where a stable molecule dominates the population in the energy landscape. The three-particle potential, which is essential for the reaction model and seldom studied, together with the two-particle interaction lead to a large effective excluded volume diameter of the molecules in the molecular fluid. The three-particle interaction was also found to give a large positive contribution to the pressure of the reacting mixture at high density and/or low temperatures. From knowledge of the dissociation constant of the reaction and the fluid pressure, we estimated the standard enthalpy of the dissociation reaction to be 430 kJ mol(-1) (ρ = 0.0695 g cm(-3)) and 380 kJ mol(-1) (ρ = 0.0191 g cm(-3)). These values are in good agreement with the experimental vaule of 436 kJ mol(-1) under ambient pressure. The model is consistent with a Lennard-Jones model of the molecular fluid, and may facilitate studies of the impact of chemical reactions on transport systems.

  17. 17O+58Ni scattering and reaction dynamics around the Coulomb barrier

    Science.gov (United States)

    Strano, E.; Torresi, D.; Mazzocco, M.; Keeley, N.; Boiano, A.; Boiano, C.; Di Meo, P.; Guglielmetti, A.; La Commara, M.; Molini, P.; Manea, C.; Parascandolo, C.; Pierroutsakou, D.; Signorini, C.; Soramel, F.; Filipescu, D.; Gheorghe, A.; Glodariu, T.; Grebosz, J.; Jeong, S.; Kim, Y. H.; Lay, J. A.; Miyatake, H.; Nicoletto, M.; Pakou, A.; Rusek, K.; Sgouros, O.; Soukeras, V.; Stroe, L.; Toniolo, N.; Vitturi, A.; Watanabe, Y.; Zerva, K.

    2016-08-01

    This work aims at investigating the projectile binding energy influence on the reaction dynamics, introducing new results and new data analysis methods in order to overcome some typically encountered problems, such as the identification of reaction products differing by few mass units and the discrimination of direct reaction processes. The 17O+58Ni collision was studied at five near-barrier energies employing a compact experimental setup consisting of four double-sided silicon strip detectors (DSSSDs). Different reaction processes, namely the elastic and inelastic scattering and the 1 n stripping, were discriminated by means of a detailed analysis of the experimental energy spectra based on Monte Carlo simulations. The elastic scattering angular distributions were investigated within the framework of the optical model using Woods-Saxon and double-folding potentials. The total reaction cross sections were extracted and the reduced cross sections compared with those obtained for 17F (Sp=0.600 MeV), the mirror nucleus of 17O (Sn=4.143 MeV), and for the tightly bound 16O projectile. The 17O+58Ni total reaction cross sections were larger than those for 16O on the same target at the lowest energies studied, becoming identical, within errors, as the incident energy increased above the Coulomb barrier. This behavior was related to a strong contribution from the 1 n -stripping channel at the lowest energies.

  18. Endoplasmic reticulum-plasma membrane junctions: structure, function and dynamics.

    Science.gov (United States)

    Okeke, Emmanuel; Dingsdale, Hayley; Parker, Tony; Voronina, Svetlana; Tepikin, Alexei V

    2016-06-01

    Endoplasmic reticulum (ER)-plasma membrane (PM) junctions are contact sites between the ER and the PM; the distance between the two organelles in the junctions is below 40 nm and the membranes are connected by protein tethers. A number of molecular tools and technical approaches have been recently developed to visualise, modify and characterise properties of ER-PM junctions. The junctions serve as the platforms for lipid exchange between the organelles and for cell signalling, notably Ca(2+) and cAMP signalling. Vice versa, signalling events regulate the development and properties of the junctions. Two Ca(2+) -dependent mechanisms of de novo formation of ER-PM junctions have been recently described and characterised. The junction-forming proteins and lipids are currently the focus of vigorous investigation. Junctions can be relatively short-lived and simple structures, forming and dissolving on the time scale of a few minutes. However, complex, sophisticated and multifunctional ER-PM junctions, capable of attracting numerous protein residents and other cellular organelles, have been described in some cell types. The road from simplicity to complexity, i.e. the transformation from simple 'nascent' ER-PM junctions to advanced stable multiorganellar complexes, is likely to become an attractive research avenue for current and future junctologists. Another area of considerable research interest is the downstream cellular processes that can be activated by specific local signalling events in the ER-PM junctions. Studies of the cell physiology and indeed pathophysiology of ER-PM junctions have already produced some surprising discoveries, likely to expand with advances in our understanding of these remarkable organellar contact sites. © 2016 The Authors. The Journal of Physiology © 2016 The Physiological Society.

  19. Association of Transient Dermal Mastocytosis and Elevated Plasma Tryptase Levels with Development of Adverse Reactions after Treatment of Onchocerciasis with Ivermectin

    National Research Council Canada - National Science Library

    Philip J. Cooper; Lawrence B. Schwartz; Anne-Marie Irani; Kwablah Awadzi; Ronald H. Guderian; Thomas B. Nutman

    2002-01-01

    To investigate the role of mast cells in treatment-associated adverse reactions in patients with onchocerciasis, changes in plasma tryptase levels and skin mast cell counts were examined in 2 groups...

  20. Reactional Plasmacytosis In Plasma Cell Orificial mucositis In A Patient Of Pulmonary Tuberculosis

    Directory of Open Access Journals (Sweden)

    Bose Sumit Kumar

    1997-01-01

    Full Text Available Skin biopsy of a 50 year old Moroccan male patient with labial and oro-pharyngeal plasmocytosis showed hyperplastic, with papillomatous eroded epithelium. Dense infiltrates of plasma cells were seen in the dermis, with perivascular prominence. Hypopharynx, epiglottis, adenoids, and tonsils showed the same type of infiltration. Immunofluorescence (IF and peroxidase antiperoxidase (PAP techniques demonstrated the presence of mostly and infiltrate of plasma cells showing IgA (30 â€" 40%, IgM (20-30%, IgG(10-20% after staining with polyclonal antibodies along with T4 & T8 Iymphocytes with monoclonal staining. Electron microscopy showed absence of atypical plasma cells with abundant endoplasmic reticulum. Patient’s symptoms of stomtitis, dysphonia and pharyngitis were temporarily relieved by systemic corticosteroids of plasma cells suggesting a reactive type of benign plasmocytosis.

  1. Numerical simulation of charging of an absorbing sphere in collisionless plasmas: asymptotics and trapped particle dynamics.

    Science.gov (United States)

    Kiselyov, Alexander; Dolgonosov, Maxim; Krasovsky, Victor

    It is very important to determine the form of trapped particle distribution function in the problem of plasma disturbance by a spherical absorbing body. There are two ways of solving this problem: stability analysis of the physical system or examination of initial value problem. In this work the second method has been chosen. The physical system under consideration can be described by Poisson-Vlasov equations. In the initial moment of time the absorbing sphere appears in collisionless plasma. Distribution functions for electrons and ions are assumed to be monoenergetic at the start. The aim of the study is to observe plasma dynamics at long times and to determine the steady state of the plasma. Numerical simulation is based on PIC ("particles-in-cell") method. Spherical symmetry of the problem is widely employed to simplify model and reduce calculation count. It allows to treat charged particle dynamics as a motion with one degree of freedom, while the problem as a whole remains three-dimensional. This gives an opportunity to use moderate computational resources. A massively parallel code using GPGPU and OpenCL technologies has been developed, as well as auxiliary utilities for testing, result processing and representation. As a result, spatial and temporal plasma characteristics near absorbing sphere have been obtained. Formation of trapped ion bunch in the vicinity of the sphere has been observed on the phase plane while approaching equilibrium state.

  2. Nonadiabatic quantum wave packet dynamics of the H + H2 reaction including the coriolis coupling

    Indian Academy of Sciences (India)

    B Jayachander Rao; S Mahapatra

    2009-09-01

    The effect of coriolis coupling on the dynamics of H + H2 reaction is examined by calculating the initial state-selected and energy resolved reaction probabilities on the coupled manifold of its degenerate 2 (') ground electronic state. H3 in this state is prone to the Jahn-Teller (JT) instability and consequently the degeneracy is split upon distortion from its 3ℎ equilibrium geometry. The orbital degeneracy is, however, restored along the 3ℎ symmetry configuration and it results into conical intersections of the two JT split component states. The energetically lower adiabatic component of latter is repulsive, and mainly (`rather solely’) drive the H + H2 reaction dynamics. On the otherhand, the upper adiabatic component is of bound type and can only impart non-adiabaticity on the dynamics of lower state. Comparison calculations are therefore also carried out on the uncoupled lower adiabatic sheet to assess the nonadiabatic effect. Exact quantum scattering calculations are performed by a chebyshev polynomial propagator and employing the double many body expansion potential energy surface of the electronic ground state of H3. Reaction probabilities are reported up to a total energy of ∼ 3.0 eV, slightly above the energetic minimum of the seam of conical intersections at ∼ 2.74 eV. Reaction probabilities are calculated up to the total angular momentum, = 20 and for each value of , the projection quantum number is varied from 0 to min (, max), with max = 4. Probability results are compared and discussed with those obtained without the coriolis coupling.

  3. Plasma-enhanced microwave solid-state synthesis of cadmium sulfide: reaction mechanism and optical properties.

    Science.gov (United States)

    Du, Ke-zhao; Chaturvedi, Apoorva; Wang, Xing-zhi; Zhao, Yi; Zhang, Ke-ke; Iqbal Bakti Utama, M; Hu, Peng; Jiang, Hui; Xiong, Qi-hua; Kloc, Christian

    2015-08-14

    CdS synthesis by plasma-enhanced microwave physical vapor transport (PMPVT) has been developed in this work. The photoluminescence (PL), absorbance, Raman spectra and the mechanism of CdS crystal growth have been investigated. Furthermore, plasma-enhanced microwave chemical vapour transport (PMCVT) synthesis of CdS with additional chemical transport agents has been explored. In addition, other II-VI chalcogenides were also synthesized by PMPVT.

  4. Structural and dynamical control of the reaction rate in protein electron transfer

    Science.gov (United States)

    Balabin, Ilya A.

    Electron transfer (ET) reactions in proteins are key steps in many vital bioenergetic processes, and the reaction rate is known to be highly sensitive to the protein structure in some cases. For most bioenergetic reactions, as described by the Fermi Golden rule, the rate is proportional to a product of the average square of the effective electronic donor to acceptor coupling and a Franck-Condon factor, which accounts for the nuclear control of the energy gap. The nuclear factor is reasonably well described in Marcus theory and its modifications, and this work is focused on the mechanisms that control the effective coupling. About ten years ago, the Pathways model described for the first time how protein environment may control the effective coupling. In this work, a novel theoretical approach is developed to explore the mechanisms of structural and dynamical control beyond the qualitative level of the Pathways model. In Chapter 1, the assumptions of the Pathways model, its limitations and effects of the structure and the electronic Hamiltonian are investigated for model chain-like bridges using the Dyson's equations. In Chapter II, the framework to explore the sensitivity of the effective coupling to quality of the electronic Hamiltonian, the interference among the dominant pathways and the bridge dynamics is presented. This analysis employs the Green's function technique and includes combined molecular dynamics and electronic structure calculations. Finally, in Chapter III, this framework is tested on the bacterial photosynthetic reaction center, and the mechanisms of the structural and dynamical control for different ET steps are discussed.

  5. Acute effects of static and dynamic stretching on balance, agility, reaction time and movement time.

    Science.gov (United States)

    Chatzopoulos, Dimitris; Galazoulas, Christos; Patikas, Dimitrios; Kotzamanidis, Christos

    2014-05-01

    The purpose of this study was to compare the acute effects of three different stretching protocols on balance, agility, reaction time and movement time of the upper limbs. Participants were thirty one female high school athletes (age = 17.3 ± 0.5 yr.). All participants performed one of the following protocols on different days: (a) 3 min jogging followed by 7 min static stretching (SS), (b) 3 min jogging followed by 7 min dynamic stretching (DS), and (c) 3 min jogging followed by 7 min of rest (NS). After the protocols participants performed the following tests: dynamic balance, 505 agility test, reaction time (time between a sound stimulus and release of a button) and movement time (movement of the upper extremity over a 0.5 m distance). The order of stretching protocols and performance tests were counterbalanced to avoid carryover effects. Repeated measures analysis of variance revealed significant main effects for all variables except reaction time. The DS protocol compared to SS performed significantly better in balance, agility and movement time. Additionally, the DS protocol compared to NS performed significantly better in agility. According to the results of the study, a DS protocol is more appropriate than SS for activities that require balance, rapid change of running direction (agility) and movement time of the upper extremities. Key pointsStatic stretching has a negative effect on balance and agility performance compared to dynamic stretching.There was no effect of the stretching protocols on reaction time.Dynamic stretching was more effective than static stretching for increasing movement time of the upper extremities.

  6. Dynamics of small autocatalytic reaction network; 2, replication, mutation and catalysis

    CERN Document Server

    Stadler, P F; Först, C J; Schuster, P; Stadler, Peter F; Schnabl, Wolfgang; Forst, Christian V; Schuster, Peter; Biotechnology, Molecuar

    1994-01-01

    Mutation is introduced into autocatalytic reaction networks. Examples of low dimensional dynamical systems --- n = 2, 3 and 4 --- are discussed and complete qualitative analysis is presented. Error thresholds known from simple replication-mutation kinetics with frequency independent replication rates occur here as well. Instead of cooperative transitions or higher order phase transistions the thresholds appear here as supercritical or subcritical bifurcations being analogous to first order phase transitions.

  7. Early-stage plasma dynamics with air ionization during ultrashort laser ablation of metal

    Energy Technology Data Exchange (ETDEWEB)

    Hu Wenqian; Shin, Yung C.; King, Galen [School of Mechanical Engineering, Purdue University, West Lafayette, Indiana 47907 (United States)

    2011-09-15

    In this study, the early-stage plasma evolution generated by an ultrashort laser pulse is investigated through pump-probe shadowgraph measurements and simulations. The measurements are performed to show the evolution of the plasma front, while the simulation model is used to further investigate the evolution process and mechanism. Specifically, the laser pulse propagation in air is simulated using the beam propagation method with the slowly varying envelope approximation. The lattice dynamics, the electron dynamics and the multi-scattering event, and the evolution of charged particles (free electrons and ions), are simulated using a molecular dynamics method, a Monte Carlo method, and a particle-in-cell method, respectively. With this simulation model, the refractive index and plasma evolutions are calculated and compared with measured results to validate the simulation model. Different plasma expansion processes, caused by the air ionization, are found with the focal point slightly above and below the target. Air ionization occurs in both cases, but their primary mechanisms are shown to be different.

  8. New low-frequency electromagnetic modes associated with neutral dynamics in partially ionised plasma

    Directory of Open Access Journals (Sweden)

    A. A. Shaikh

    2013-05-01

    Full Text Available We have investigated the low frequency electromagnetic (EM modes in inhomogeneous, magnetised partially ionised plasma by incorporating neutral dynamics. We have derived a general EM dispersion relation by using a two-fluids magnetohydrodynamics (MHD model. Our analysis shows that the neutral dynamics is playing an extremely important role in the physics of magnetised partially ionised plasma by giving rise to new kind of EM modes. We found (1 the new instability is linked with compressibility of neutral particles, the collision between neutral and charged species and the relative streaming in hot/cold, inhomogeneous, magnetised partially ionised plasma, (2 and that neutral dynamics is responsible for the modified (complex inertial effect on magnetic field lines. Its consequences on the propagation characteristics of Alfvén wave and cyclotron frequency are discussed. Furthermore, a new mode similar to the Langmuir mode is reported. Finally, we discuss our results, for limiting cases, that may be appropriate for applications to space plasma environments including probable mechanism of escaping H+ and O− from the Martian atmosphere.

  9. Chemical Reaction Rates from Ring Polymer Molecular Dynamics: Theory and Practical Applications

    CERN Document Server

    Suleimanov, Yury V; Guo, Hua

    2016-01-01

    This Feature Article presents an overview of the current status of Ring Polymer Molecular Dynamics (RPMD) rate theory. We first analyze theory and its connection to quantum transition state theory. We then focus on its practical application to prototypical chemical reactions in the gas phase, which demonstrate how accurate and reliable RPMD is for calculating thermal chemical reaction rates in multifarious cases. This review serves as an important checkpoint in RPMD rate theory development, which shows that RPMD is shifting from being just one of recent novel ideas to a well-established and validated alternative to conventional techniques for calculating thermal chemical rates. We also hope it will motivate further applications of RPMD to various chemical reactions.

  10. Reaction dynamics and statistical theory for the growth of hydrogen bonding clusters

    Institute of Scientific and Technical Information of China (English)

    WANG; Haijun; BA; Xinwu(巴信武); ZHAO; Min(赵敏)

    2002-01-01

    The similarities between the formation of hydrogen bonds and polycondensation reactions are stated from the statistical viewpoint, and then taking the hydrogen bonding system of AaDd type as an example, the growing process of hydrogen bonding clusters is investigated in terms of the theory of reaction dynamics and statistical theory for polymeric reactions. The two methods lead to the same conclusions, stating that the statistical theory for polymerization is applicable to the hydrogen bonding systems. Based on this consideration, the explicit relationship between the conversions of proton-donors and proton-acceptors and the Gibbs free energy of the system under study is given. Furthermore, the sol-gel phase transition is predicted to take place in some hydrogen bonding systems, and the corresponding generalized scaling laws describing this kind of phase transition are obtained.

  11. Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications.

    Science.gov (United States)

    Suleimanov, Yury V; Aoiz, F Javier; Guo, Hua

    2016-11-03

    This Feature Article presents an overview of the current status of ring polymer molecular dynamics (RPMD) rate theory. We first analyze the RPMD approach and its connection to quantum transition-state theory. We then focus on its practical applications to prototypical chemical reactions in the gas phase, which demonstrate how accurate and reliable RPMD is for calculating thermal chemical reaction rate coefficients in multifarious cases. This review serves as an important checkpoint in RPMD rate theory development, which shows that RPMD is shifting from being just one of recent novel ideas to a well-established and validated alternative to conventional techniques for calculating thermal chemical rate coefficients. We also hope it will motivate further applications of RPMD to various chemical reactions.

  12. Non-adiabatic molecular dynamic simulations of opening reaction of molecular junctions

    Science.gov (United States)

    Zobač, Vladmír; Lewis, James P.; Jelínek, Pavel

    2016-07-01

    We report non-adiabatic molecular dynamic simulations of the ring opening reaction of diarylethene (DAE) derivative molecules, both free standing and embedded between gold electrodes. Simulations are performed by the surface hopping method employing density functional theory. Typically, the free-standing molecules exhibit large quantum yields to open and close; however the process is quenched for the molecules embedded between electrodes. Our simulations reveal the importance of the DAE side chemical groups, which explain the efficiency of the quenching process. Namely, delocalization of the LUMO state contributes to electronic coupling between the molecule and electrodes, suppressing or enhancing the reaction process. The simulations indicate that a proper choice of the chemical side group, which provides the strong localization of the LUMO state, can substantially diminish the quenching mechanism. Additionally, we analyze a strong dependency of the quantum yield of the opening reaction coming from the mechanical strength of the molecules.

  13. ARTICLE Crossed Beams Study on the Dynamics of F Atom Reaction with 1,2-Butadiene

    Science.gov (United States)

    Xiao, Chong-fa; Shen, Guan-lin; Wang, Xiu-yan; Yang, Xue-ming

    2010-12-01

    We have investigated the dynamics of the F+C4H6 reaction using the universal crossed molecular beam method. The C4H5F+H reaction channel was observed in this experiment. Angular resolved time-of-flight spectra have been measured for the C4H5F product. Product angular distributions as well as kinetic energy distributions were determined for this product channel. Experimental results show that the C4H5F product is largely backward scattered with considerable forward scattering signal, relative to the F atom beam direction. This suggests that the reaction channel mainly proceeds via a long-lived complex formation mechanism, with possible contribution from a direct SN2 type mechanism.

  14. Quantum and quasiclassical dynamics of the multi-channel H + H2S reaction

    Science.gov (United States)

    Qi, Ji; Lu, Dandan; Song, Hongwei; Li, Jun; Yang, Minghui

    2017-03-01

    The prototypical multi-channel reaction H + H2S → H2 + SH/H + H2S has been investigated using the full-dimensional quantum scattering and quasi-classical trajectory methods to unveil the underlying competition mechanism between different product channels and the mode specificity. This reaction favors the abstraction channel over the exchange channel. For both channels, excitations in the two stretching modes promote the reaction with nearly equal efficiency and are more efficient than the bending mode excitation. However, they are all less efficient than the translational energy. In addition, the experimentally observed non-Arrhenius temperature dependence of the thermal rate constants is reasonably reproduced by the quantum dynamics calculations, confirming that the non-Arrhenius behavior is caused by the pronounced quantum tunneling.

  15. Computing the Free Energy along a Reaction Coordinate Using Rigid Body Dynamics.

    Science.gov (United States)

    Tao, Peng; Sodt, Alexander J; Shao, Yihan; König, Gerhard; Brooks, Bernard R

    2014-10-14

    The calculations of potential of mean force along complex chemical reactions or rare events pathways are of great interest because of their importance for many areas in chemistry, molecular biology, and material science. The major difficulty for free energy calculations comes from the great computational cost for adequate sampling of the system in high-energy regions, especially close to the reaction transition state. Here, we present a method, called FEG-RBD, in which the free energy gradients were obtained from rigid body dynamics simulations. Then the free energy gradients were integrated along a reference reaction pathway to calculate free energy profiles. In a given system, the reaction coordinates defining a subset of atoms (e.g., a solute, or the quantum mechanics (QM) region of a quantum mechanics/molecular mechanics simulation) are selected to form a rigid body during the simulation. The first-order derivatives (gradients) of the free energy with respect to the reaction coordinates are obtained through the integration of constraint forces within the rigid body. Each structure along the reference reaction path is separately subjected to such a rigid body simulation. The individual free energy gradients are integrated along the reference pathway to obtain the free energy profile. Test cases provided demonstrate both the strengths and weaknesses of the FEG-RBD method. The most significant benefit of this method comes from the fast convergence rate of the free energy gradient using rigid-body constraints instead of restraints. A correction to the free energy due to approximate relaxation of the rigid-body constraint is estimated and discussed. A comparison with umbrella sampling using a simple test case revealed the improved sampling efficiency of FEG-RBD by a factor of 4 on average. The enhanced efficiency makes this method effective for calculating the free energy of complex chemical reactions when the reaction coordinate can be unambiguously defined by a

  16. Study of dynamics of glucose-glucose oxidase-ferricyanide reaction

    Science.gov (United States)

    Nováková, A.; Schreiberová, L.; Schreiber, I.

    2011-12-01

    This work is focused on dynamics of the glucose-glucose oxidase-ferricyanide enzymatic reaction with or without sodium hydroxide in a continuous-flow stirred tank reactor (CSTR) and in a batch reactor. This reaction exhibits pH-variations having autocatalytic character and is reported to provide nonlinear dynamic behavior (bistability, excitability). The dynamical behavior of the reaction was examined within a wide range of inlet parameters. The main inlet parameters were the ratio of concentrations of sodium hydroxide and ferricyanide and the flow rate. In a batch reactor we observed an autocatalytic drop of pH from slightly basic to medium acidic values. In a CSTR our aim was to find bistability in the presence of sodium hydroxide. However, only a basic steady state was found. In order to reach an acidic steady state, we investigated the system in the absence of sodium hydroxide. Under these conditions the transition from the basic to the acidic steady state was observed when inlet glucose concentration was increased.

  17. Dynamics of gecko locomotion: a force-measuring array to measure 3D reaction forces.

    Science.gov (United States)

    Dai, Zhendong; Wang, Zhouyi; Ji, Aihong

    2011-03-01

    Measuring the interaction between each foot of an animal and the substrate is one of the most effective ways to understand the dynamics of legged locomotion. Here, a new facility - the force-measuring array (FMA) - was developed and applied to measure 3D reaction forces of geckos on different slope surfaces. The FMA consists of 16 3D sensors with resolution to the mN level. At the same time the locomotion behaviour of geckos freely moving on the FMA was recorded by high speed camera. The reaction forces acting on the gecko's individual feet measured by the FMA and correlated with locomotion behaviour provided enough information to reveal the mechanical and dynamic secrets of gecko locomotion. Moreover, dynamic forces were also measured by a force platform and correlated with locomotion behaviour. The difference between the forces measured by the two methods is discussed. From the results we conclude that FMA is the best way to obtain true reaction forces acting on the gecko's individual feet.

  18. Microscopic dynamics simulations of heavy-ion fusion reactions induced by neutron-rich nuclei

    CERN Document Server

    Wang, Ning; Zhang, Yingxun; Li, Zhuxia

    2014-01-01

    The heavy-ion fusion reactions induced by neutron-rich nuclei are investigated with the improved quantum molecular dynamics (ImQMD) model. With a subtle consideration of the neutron skin thickness of nuclei and the symmetry potential, the stability of nuclei and the fusion excitation functions of heavy-ion fusion reactions $^{16}$O+$^{76}$Ge, $^{16}$O+$^{154}$Sm, $^{40}$Ca+$^{96}$Zr and $^{132}$Sn+$^{40}$Ca are systematically studied. The fusion cross sections of these reactions at energies around the Coulomb barrier can be well reproduced by using the ImQMD model. The corresponding slope parameter of the symmetry energy adopted in the calculations is $L \\approx 78$ MeV and the surface energy coefficient is $g_{\\rm sur}=18\\pm 1.5$ MeVfm$^2$. In addition, it is found that the surface-symmetry term significantly influences the fusion cross sections of neutron-rich fusion systems. For sub-barrier fusion, the dynamical fluctuations in the densities of the reaction partners and the enhanced surface diffuseness at ...

  19. Heavy ion collision dynamics of 10,11B+10,11B reactions

    Directory of Open Access Journals (Sweden)

    Singh BirBikram

    2015-01-01

    Full Text Available The dynamical cluster-decay model (DCM of Gupta and collaborators has been applied successfully to the decay of very-light (A ∼ 30, light (A ∼ 40−80, medium, heavy and super-heavy mass compound nuclei for their decay to light particles (evaporation residues, ER, fusion-fission (ff, and quasi-fission (qf depending on the reaction conditions. We intend to extend here the application of DCM to study the extreme case of decay of very-light nuclear systems 20,21,22Ne∗ formed in 10,11B+10,11B reactions, for which experimental data is available for their binary symmetric decay (BSD cross sections, i.e., σBSD. For the systems under study, the calculations are presented for the σBSD in terms of their preformation and barrier penetration probabilities P0 and P. Interesting results are that in the decay of such lighter systems there is a competing reaction mechanism (specifically, the deep inelastic orbiting of non-compound nucleus (nCN origin together with ff. We have emipirically estimated the contribution of σnCN. Moreover, the important role of nuclear structure characteristics via P0 as well as angular momentum ℓ in the reaction dynamics are explored in the study.

  20. Theory of the reaction dynamics of small molecules on metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Jackson, Bret [Univ. of Massachusetts, Amherst, MA (United States)

    2016-09-09

    The objective of this project has been to develop realistic theoretical models for gas-surface interactions, with a focus on processes important in heterogeneous catalysis. The dissociative chemisorption of a molecule on a metal is a key step in many catalyzed reactions, and is often the rate-limiting step. We have explored the dissociative chemisorption of H2, H2O and CH4 on a variety of metal surfaces. Most recently, our extensive studies of methane dissociation on Ni and Pt surfaces have fully elucidated its dependence on translational energy, vibrational state and surface temperature, providing the first accurate comparisons with experimental data. We have explored Eley-Rideal and hot atom reactions of H atoms with H- and C-covered metal surfaces. H atom interactions with graphite have also been explored, including both sticking and Eley-Rideal recombination processes. Again, our methods made it possible to explain several experiments studying these reactions. The sticking of atoms on metal surfaces has also been studied. To help elucidate the experiments that study these processes, we examine how the reaction dynamics depend upon the nature of the molecule-metal interaction, as well as experimental variables such as substrate temperature, beam energy, angle of impact, and the internal states of the molecules. Electronic structure methods based on Density Functional Theory are used to compute each molecule-metal potential energy surface. Both time-dependent quantum scattering techniques and quasi-classical methods are used to examine the reaction or scattering dynamics. Much of our effort has been directed towards developing improved quantum methods that can accurately describe reactions, as well as include the effects of substrate temperature (lattice vibration).

  1. Dynamics of surface plasma generation by the microsecond emission of the XeF laser

    Science.gov (United States)

    Min'ko, L. Ia.; Chumakov, A. N.; Efremov, V. V.; Bakeev, A. A.; Nikolashina, L. I.; Prokopenko, N. V.; Sorokin, V. A.

    1991-06-01

    The dynamics of surface plasma generation by the microsecond emission of the XeF laser and the interaction of the ultraviolet emission with absorbent materials and the plasma at atmospheric pressure were investigated experimentally. The XeF laser used in the experiments operated at a wavelength of 0.35 micron, with a maximum emergy of 30 J and a pulse width of 3 microsec; the target materials included aluminum, bismuth, and graphite. The experimental results are presented in graphic form and compared with theoretical data.

  2. Reconnection dynamics with secondary tearing instability in compressible Hall plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Z. W., E-mail: zwma@zju.edu.cn; Wang, L. C.; Li, L. J. [Institute for Fusion Theory and Simulation, Zhejiang University, Hangzhou 310027 (China)

    2015-06-15

    The dynamics of a secondary tearing instability is systematically investigated based on compressible Hall magnetohydrodynamic. It is found that in the early nonlinear phase of magnetic reconnection before onset of the secondary tearing instability, the geometry of the magnetic field in the reconnection region tends to form a Y-type structure in a weak Hall regime, instead of an X-type structure in a strong Hall regime. A new scaling law is found that the maximum reconnection rate in the early nonlinear stage is proportional to the square of the ion inertial length (γ∝d{sub i}{sup 2}) in the weak Hall regime. In the late nonlinear phase, the thin elongated current sheet associated with the Y-type geometry of the magnetic field breaks up to form a magnetic island due to a secondary tearing instability. After the onset of the secondary tearing mode, the reconnection rate is substantially boosted by the formation of the X-type geometries of magnetic field in the reconnection regions. With a strong Hall effect, the maximum reconnection rate linearly increases with the increase of the ion inertial length (γ∝d{sub i})

  3. Spatiotemporal mapping of diffusion dynamics and organization in plasma membranes

    Science.gov (United States)

    Bag, Nirmalya; Ng, Xue Wen; Sankaran, Jagadish; Wohland, Thorsten

    2016-09-01

    Imaging fluorescence correlation spectroscopy (FCS) and the related FCS diffusion law have been applied in recent years to investigate the diffusion modes of lipids and proteins in membranes. These efforts have provided new insights into the membrane structure below the optical diffraction limit, new information on the existence of lipid domains, and on the influence of the cytoskeleton on membrane dynamics. However, there has been no systematic study to evaluate how domain size, domain density, and the probe partition coefficient affect the resulting imaging FCS diffusion law parameters. Here, we characterize the effects of these factors on the FCS diffusion law through simulations and experiments on lipid bilayers and live cells. By segmenting images into smaller 7  ×  7 pixel areas, we can evaluate the FCS diffusion law on areas smaller than 2 µm and thus provide detailed maps of information on the membrane structure and heterogeneity at this length scale. We support and extend this analysis by deriving a mathematical expression to calculate the mean squared displacement (MSDACF) from the autocorrelation function of imaging FCS, and demonstrate that the MSDACF plots depend on the existence of nanoscopic domains. Based on the results, we derive limits for the detection of domains depending on their size, density, and relative viscosity in comparison to the surroundings. Finally, we apply these measurements to bilayers and live cells using imaging total internal reflection FCS and single plane illumination microscopy FCS.

  4. Fast and stable redox reactions of MnO₂/CNT hybrid electrodes for dynamically stretchable pseudocapacitors.

    Science.gov (United States)

    Gu, Taoli; Wei, Bingqing

    2015-07-21

    Pseudocapacitors, which are energy storage devices that take advantage of redox reactions to store electricity, have a different charge storage mechanism compared to lithium-ion batteries (LIBs) and electric double-layer capacitors (EDLCs), and they could realize further gains if they were used as stretchable power sources. The realization of dynamically stretchable pseudocapacitors and understanding of the underlying fundamentals of their mechanical-electrochemical relationship have become indispensable. We report herein the electrochemical performance of dynamically stretchable pseudocapacitors using buckled MnO2/CNT hybrid electrodes. The extremely small relaxation time constant of less than 0.15 s indicates a fast redox reaction at the MnO2/CNT hybrid electrodes, securing a stable electrochemical performance for the dynamically stretchable pseudocapacitors. This finding and the fundamental understanding gained from the pseudo-capacitive behavior coupled with mechanical deformation under a dynamic stretching mode would provide guidance to further improve their overall performance including a higher power density than LIBs, a higher energy density than EDLCs, and a long-life cycling stability. Most importantly, these results will potentially accelerate the applications of stretchable pseudocapacitors for flexible and biomedical electronics.

  5. Dynamical Dipole and Equation of State in N/Z Asymmetric Fusion Reactions

    Directory of Open Access Journals (Sweden)

    Giaz Agnese

    2014-03-01

    Full Text Available In heavy ion reactions, in the case of N/Z asymmetry between projectile and target, the process leading to complete fusion is expected to produce pre-equilibrium dipole γ-ray emission. It is generated during the charge equilibration process and it is known as Dynamical Dipole. A new measurement of the dynamical dipole emission was performed by studying 16O + 116Sn at 12 MeV/u. These data, together with those measured at 8.1 MeV/u and 15.6 MeV/u for the same reaction, provide the dependence on the Dynamical Dipole total emission yield with beam energy and they can be compared with theoretical expectations. The experimental results show a weak increase of the Dynamical Dipole total yield with beam energies and are in agreement with the prediction of a theoretical model based on the Boltzmann–Nordheim–Vlasov (BNV approach. The measured trend with beam energy does not confirm the rise and fall behavior previously reported for the same fused compound but with a much higher dipole moment.

  6. Integrated Simulation Studies of Plasma Performances and Fusion Reactions in the Deuterium Experiment of LHD

    Science.gov (United States)

    Murakami, S.; Yamaguchi, H.; Homma, M.; Maeta, S.; Saito, Y.; Fukuyama, A.; Nagaoka, K.; Takahashi, H.; Nakano, H.; Osakabe, M.; Yokoyama, M.; Tanaka, K.; Ida, K.; Yoshinuma, M.; Isobe, M.; Tomita, H.; Ogawa, K.; LHD Exp Group Team

    2016-10-01

    The deuterium experiment project from 2017 is planned in LHD, where the deuterium NBI heating beams with the power more than 30MW are injected into the deuterium plasma. Principal objects of this project are to clarify the isotope effect on the heat and particle transport in the helical plasma and to study energetic particle confinement in a helical magnetic configuration measuring triton burn-up neutrons. We study the deuterium experiment plasma of LHD applying the integrated simulation code, TASK3D [Murakami, PPCF2015], and the 5-D drift kinetic equation solver, GNET [Murakami, NF2006]. (i) More than 20% of ion temperature increment is obtained in the deuterium plasma (nD /nH +nD = 0.8) due to the isotope effect assuming the turbulent transport model based on the H/He plasma experiment of LHD. (ii) The triton burn-up simulation shows the triton slowing down distribution and the strong magnetic configuration dependency of the triton burn-up ratio in LHD. This work was supported by JSPS KAKENHI Grant Number 26420851.

  7. Role of rotational energy component in the dynamics of 16O+198Pt reaction

    Directory of Open Access Journals (Sweden)

    Sharma Manoj K.

    2017-01-01

    Full Text Available The role of rotational energy is investigated in reference to the dynamics of 16O+198Pt →214Rn∗ reaction using the sticking (IS and the non-sticking (INS limits of moment of inertia within the framework of dynamical cluster decay model. The decay barrier height and barrier position get significantly modified for the use of sticking or non-sticking choice, which in turn reproduce the evaporation residue and the fusion-fission cross-sections nicely by the IS approach, while the INS approach provides feasible addressal of data only for evaporation residue channel. Moreover, the fragmentation path of decaying fragments of 214Rn∗ compound nucleus gets influenced for different choices of moment of inertia. Beside this, the role of nuclear deformations i.e. static, dynamic quadurpole (β2 and higher order static deformation up to β4 are duly investigated for both choices of the moment of inertia.

  8. Motif analysis for small-number effects in chemical reaction dynamics

    Science.gov (United States)

    Saito, Nen; Sughiyama, Yuki; Kaneko, Kunihiko

    2016-09-01

    The number of molecules involved in a cell or subcellular structure is sometimes rather small. In this situation, ordinary macroscopic-level fluctuations can be overwhelmed by non-negligible large fluctuations, which results in drastic changes in chemical-reaction dynamics and statistics compared to those observed under a macroscopic system (i.e., with a large number of molecules). In order to understand how salient changes emerge from fluctuations in molecular number, we here quantitatively define small-number effect by focusing on a "mesoscopic" level, in which the concentration distribution is distinguishable both from micro- and macroscopic ones and propose a criterion for determining whether or not such an effect can emerge in a given chemical reaction network. Using the proposed criterion, we systematically derive a list of motifs of chemical reaction networks that can show small-number effects, which includes motifs showing emergence of the power law and the bimodal distribution observable in a mesoscopic regime with respect to molecule number. The list of motifs provided herein is helpful in the search for candidates of biochemical reactions with a small-number effect for possible biological functions, as well as for designing a reaction system whose behavior can change drastically depending on molecule number, rather than concentration.

  9. Dynamic path bifurcation in the Beckmann reaction: support from kinetic analyses.

    Science.gov (United States)

    Yamamoto, Yutaro; Hasegawa, Hiroto; Yamataka, Hiroshi

    2011-06-03

    The reactions of oximes to amides, known as the Beckmann rearrangement, may undergo fragmentation to form carbocations + nitriles when the migrating groups have reasonable stability as cations. The reactions of oxime sulfonates of 1-substituted-phenyl-2-propanone derivatives (7-X) and related substrates (8-X, 9a-X) in aqueous CH(3)CN gave both rearrangement products (amides) and fragmentation products (alcohols), the ratio of which depends on the system; the reactions of 7-X gave amides predominantly, whereas 9a-X yielded alcohols as the major product. The logk-logk plots between the systems gave excellent linear correlations with slopes of near unity. The results support the occurrence of path bifurcation after the rate-determining TS of the Beckmann rearrangement/fragmentation reaction, which has previously been proposed on the basis of molecular dynamics simulations. It was concluded that path-bifurcation phenomenon could be more common than thought and that a reactivity-selectivity argument based on the traditional TS theory may not always be applicable even to a well-known textbook organic reaction.

  10. A ring polymer molecular dynamics study of the Cl + O3 reaction.

    Science.gov (United States)

    de Tudela, R Pérez; Suleimanov, Y V; Menéndez, M; Castillo, J F; Aoiz, F J

    2014-02-21

    We have performed ring polymer molecular dynamics (RPMD) calculations on the Cl + O3 → ClO + O2 reaction at temperatures ranging from 200 K to 400 K, and compared the results with previous theoretical studies and also with the available experimental data. This reaction presents a couple of features which makes it a particularly interesting and challenging case to be studied using RPMD. First, classically, this is essentially a barrierless reaction, with a saddle point located below the reactants. However, the free energy profiles along the reaction coordinate display small barriers due to the fact that the decrease in enthalpy from reactants to the TS is somewhat compensated by a decrease in entropy. To our knowledge this is the first time such a process is studied using this technique. Second, the transition state is located early in the reactant valley, therefore the inclusion of the recrossing correction in the RPMD calculations is crucial to determine rate coefficients. Regarding quantum effects, our calculations show that RPMD results are within the error bars of the purely classical ones. This implies that tunnelling is negligible in this reaction at the temperatures studied, not surprisingly for a system including oxygen and chlorine atoms, and that the zero point energies of reactants, transition state and products are practically the same. Finally, the rate coefficients presented in this work are in a fairly good agreement with the recommended experimental values, somewhat better than those obtained using other approaches.

  11. Motif analysis for small-number effects in chemical reaction dynamics.

    Science.gov (United States)

    Saito, Nen; Sughiyama, Yuki; Kaneko, Kunihiko

    2016-09-07

    The number of molecules involved in a cell or subcellular structure is sometimes rather small. In this situation, ordinary macroscopic-level fluctuations can be overwhelmed by non-negligible large fluctuations, which results in drastic changes in chemical-reaction dynamics and statistics compared to those observed under a macroscopic system (i.e., with a large number of molecules). In order to understand how salient changes emerge from fluctuations in molecular number, we here quantitatively define small-number effect by focusing on a "mesoscopic" level, in which the concentration distribution is distinguishable both from micro- and macroscopic ones and propose a criterion for determining whether or not such an effect can emerge in a given chemical reaction network. Using the proposed criterion, we systematically derive a list of motifs of chemical reaction networks that can show small-number effects, which includes motifs showing emergence of the power law and the bimodal distribution observable in a mesoscopic regime with respect to molecule number. The list of motifs provided herein is helpful in the search for candidates of biochemical reactions with a small-number effect for possible biological functions, as well as for designing a reaction system whose behavior can change drastically depending on molecule number, rather than concentration.

  12. Comparison of tunable bandpass reaction cell inductively coupled plasma mass spectrometry with conventional inductively coupled plasma mass spectrometry for the determination of heavy metals in whole blood and urine

    Science.gov (United States)

    Nixon, David E.; Neubauer, Kenneth R.; Eckdahl, Steven J.; Butz, John A.; Burritt, Mary F.

    2004-09-01

    A Dynamic Reaction Cell™ inductively coupled plasma mass spectrometer (DRC-ICP-MS) was evaluated for the determination of arsenic, lead, cadmium, mercury, and thallium in urine and whole blood. Reaction cell conditions were evaluated for suppression of ArCl + and CaCl + polyatomic interferences. The reaction gas was 5% hydrogen in argon. Lead, cadmium, mercury, and thallium were determined with the reaction cell vented. Mixture of 2.5% t-butanol, 0.5% HCl, and 2 mg Au/l plus Ga, Rh, and Bi internal standards was used to dilute whole blood and urine. Calibration was achieved using aqueous acidic standards spiked into urine matrix. Urine and whole blood addition calibration curves were nearly identical for all five elements. DRC-ICP-MS detection limits were equivalent or better than conventional ICP-MS. Within run coefficients of variation (CV's) were nearly the same for DRC-ICP-MS and conventional ICP-MS for National Institute of Standards and Technology (NIST) SRM 2670 and BioRad Lyphochek Urine Metals Control. DRC-ICP-MS within run CV's for As, Pb, Cd, and Hg were 1.9%, 4%, 1.7%, and 1.7%, respectively, for NIST 2670 and 2.9%, 1.8%, 3.4%, 1.7%, and 1.0% for BioRad urine. BioRad Lyphochek Whole Blood control concentrations and CV's were: 78 μg/l (3.8%), 284 μg/l (0.52%), and 544 μg/l (0.9%). With the exception of mercury day-to-day CV's for certified whole blood and urine controls were less than 4% on both the DRC-ICP-MS and conventional ICP-MS.

  13. PTFE treatment by remote atmospheric Ar/O2 plasmas: a simple reaction scheme model proposal

    CERN Document Server

    Carbone, E A D; Keuning, W; van der Mullen, J J A M

    2013-01-01

    Polytetrafluoroethylene (PTFE) samples were treated by a remote atmospheric pressure microwave plasma torch and analyzed by water contact angle (WCA) and X-ray photoelectron spectroscopy (XPS). In the case of pure argon plasma a decrease of WCA is observed meanwhile an increase of hydrophobicity was observed when some oxygen was added to the discharge. The WCA results are correlated to XPS of reference samples and the change of WCA are attributed to changes in roughness of the samples. A simple kinetics scheme for the chemistry on the PTFE surface is proposed to explain the results.

  14. Dynamics of electron bunches at the laser-plasma interaction in the bubble regime

    Science.gov (United States)

    Maslov, V. I.; Svystun, O. M.; Onishchenko, I. N.; Tkachenko, V. I.

    2016-09-01

    The multi-bunches self-injection, observed in laser-plasma accelerators in the bubble regime, affects the energy gain of electrons accelerated by laser wakefield. However, understanding of dynamics of the electron bunches formed at laser-plasma interaction may be challenging. We present here the results of fully relativistic electromagnetic particle-in-cell (PIC) simulation of laser wakefield acceleration driven by a short laser pulse in an underdense plasma. The trapping and acceleration of three witness electron bunches by the bubble-like structures were observed. It has been shown that with time the first two witness bunches turn into drivers and contribute to acceleration of the last witness bunch.

  15. Linear and nonlinear dynamics of current-driven waves in dusty plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Ali [National Centre for Physics (NCP), Shahdara Valley Road, 44000 Islamabad (Pakistan); Department of Physics, COMSATS Institute of Information Technology (CIIT), Islamabad (Pakistan); Theoretical Plasma Physics Division, PINSTECH, P. O. Nilore, Islamabad (Pakistan); Ali Shan, S.; Haque, Q. [National Centre for Physics (NCP), Shahdara Valley Road, 44000 Islamabad (Pakistan); Theoretical Plasma Physics Division, PINSTECH, P. O. Nilore, Islamabad (Pakistan); Saleem, H. [National Centre for Physics (NCP), Shahdara Valley Road, 44000 Islamabad (Pakistan); Department of Physics, COMSATS Institute of Information Technology (CIIT), Islamabad (Pakistan)

    2012-09-15

    The linear and nonlinear dynamics of a recently proposed plasma mode of dusty plasma is studied using kappa distribution for electrons. This electrostatic wave can propagate in the plasma due to the sheared flow of electrons and ions parallel to the external magnetic field in the presence of stationary dust. The coupling of this wave with the usual drift wave and ion acoustic wave is investigated. D'Angelo's mode is also modified in the presence of superthermal electrons. In the nonlinear regime, the wave can give rise to dipolar vortex structures if the shear in flow is weaker and tripolar vortices if the flow has steeper gradient. The results have been applied to Saturn's magnetosphere corresponding to negatively charged dust grains. But the theoretical model is applicable for positively charged dust as well. This work will be useful for future observations and studies of dusty environments of planets and comets.

  16. Dynamics of electron bunches at the laser–plasma interaction in the bubble regime

    Energy Technology Data Exchange (ETDEWEB)

    Maslov, V.I., E-mail: vmaslov@kipt.kharkov.ua; Svystun, O.M., E-mail: svistun_elena@mail.ru; Onishchenko, I.N.; Tkachenko, V.I.

    2016-09-01

    The multi-bunches self-injection, observed in laser–plasma accelerators in the bubble regime, affects the energy gain of electrons accelerated by laser wakefield. However, understanding of dynamics of the electron bunches formed at laser–plasma interaction may be challenging. We present here the results of fully relativistic electromagnetic particle-in-cell (PIC) simulation of laser wakefield acceleration driven by a short laser pulse in an underdense plasma. The trapping and acceleration of three witness electron bunches by the bubble-like structures were observed. It has been shown that with time the first two witness bunches turn into drivers and contribute to acceleration of the last witness bunch.

  17. Extended First-Principles Molecular Dynamics Method From Cold Materials to Hot Dense Plasmas

    CERN Document Server

    Zhang, Shen; Kang, Wei; Zhang, Ping; He, Xian-Tu

    2016-01-01

    An extended first-principles molecular dynamics (FPMD) method based on Kohn-Sham scheme is proposed to elevate the temperature limit of the FPMD method in the calculation of dense plasmas. The extended method treats the wave functions of high energy electrons as plane waves analytically, and thus expands the application of the FPMD method to the region of hot dense plasmas without suffering from the formidable computational costs. In addition, the extended method inherits the high accuracy of the Kohn-Sham scheme and keeps the information of elec- tronic structures. This gives an edge to the extended method in the calculation of the lowering of ionization potential, X-ray absorption/emission spectra, opacity, and high-Z dense plasmas, which are of particular interest to astrophysics, inertial confinement fusion engineering, and laboratory astrophysics.

  18. Experimental measurement of non-Markovian dynamics and self-diffusion in a strongly coupled plasma

    CERN Document Server

    Strickler, T S; McQuillen, P; Daligault, J; Killian, T C

    2015-01-01

    We present a study of the collisional relaxation of ion velocities in a strongly coupled, ultracold neutral plasma on short timescales compared to the inverse collision rate. Non-exponential decay towards equilibrium for the average velocity of a tagged population of ions heralds non-Markovian dynamics and a breakdown of assumptions underlying standard kinetic theory. We prove the equivalence of the average-velocity curve to the velocity autocorrelation function, a fundamental statistical quantity that provides access to equilibrium transport coefficients and aspects of individual particle trajectories in a regime where experimental measurements have been lacking. From our data, we calculate the ion self-diffusion constant. This demonstrates the utility of ultracold neutral plasmas for isolating the effects of strong coupling on collisional processes, which is of interest for dense laboratory and astrophysical plasmas.

  19. Biochemical aspects on adverse reactions to contrast media. Changes of kininogen levels in dog plasma after intravenous injections of iohexol, iopamidol, and iothalamate.

    Science.gov (United States)

    Tanaka, T; Katayama, H; Shirakata, A; Takahasi, H

    1988-09-01

    The adverse reactions to contrast media have been investigated by several authors but the exact mechanisms have not yet been established. To study whether kinin-releasing systems are involved in these adverse reactions, we determined total plasma kininogen levels at intervals up to 30 minutes after the intravenous injections of contrast media in dogs. Injections of iohexol, iopamidol, and iothalamate decreased total plasma kininogen levels. This effect increased with increasing dose of the media and suggests that they activated the kinin-releasing systems in the plasma.

  20. ReaDDy--a software for particle-based reaction-diffusion dynamics in crowded cellular environments.

    Directory of Open Access Journals (Sweden)

    Johannes Schöneberg

    Full Text Available We introduce the software package ReaDDy for simulation of detailed spatiotemporal mechanisms of dynamical processes in the cell, based on reaction-diffusion dynamics with particle resolution. In contrast to other particle-based reaction kinetics programs, ReaDDy supports particle interaction potentials. This permits effects such as space exclusion, molecular crowding and aggregation to be modeled. The biomolecules simulated can be represented as a sphere, or as a more complex geometry such as a domain structure or polymer chain. ReaDDy bridges the gap between small-scale but highly detailed molecular dynamics or Brownian dynamics simulations and large-scale but little-detailed reaction kinetics simulations. ReaDDy has a modular design that enables the exchange of the computing core by efficient platform-specific implementations or dynamical models that are different from Brownian dynamics.

  1. Plasma urea nitrogen and progesterone concentrations and follicular dynamics in ewes fed proteins of different degradability

    Directory of Open Access Journals (Sweden)

    Gustavo Bianchi Lazarin

    2012-07-01

    Full Text Available The effects of overfeeding with protein of different degradability on body condition, plasma urea nitrogen and progesterone concentrations, ovulation number and follicular dynamics were assessed in Santa Ines ewes. Twelve ewes were assigned to a randomized block design according to body weight and received overfeeding with soybean meal or with corn gluten meal or maintenance diet for 28 days before ovulation and during the next estrous cycle. Blood samples were taken on days 7, 14, 21, and 28 after the beginning of treatments for analysis of plasma urea nitrogen and on days 3, 6, 9, 12, and 15 into the estrous cycle for analysis of plasma urea nitrogen and progesterone. Follicular dynamics was monitored daily by ultrasound during one estrous cycle. Dry matter and crude protein intake, weight gain, plasma urea nitrogen concentration before ovulation, number of ovulations, diameter of the largest follicle of the 1st and of the 2nd waves and the growth rate of the largest follicle of the 1st wave were higher in the ewes that received overfeeding. The growth rate of the largest follicle of the 3rd wave was higher in the ewes fed maintenance diet. The back fat thickness, plasma urea nitrogen before ovulation and progesterone concentrations, diameter of the largest follicle of the 2nd wave and growth rate of the largest follicle of the 3rd wave were higher in ewes that received overfeeding with soybean meal. The growth rate of the largest follicle of the 1st wave was higher in ewes that received overfeeding with corn gluten meal. Overfeeding with protein-rich feeds may increase the ovulation number and with soybean meal, it may be effective in increasing plasma progesterone concentration in ewes.

  2. Dynamic form factor of two-component plasmas beyond the static local field approximation

    CERN Document Server

    Daligault, J

    2003-01-01

    The spectrum of ion density fluctuations in a strongly coupled plasma is described both within the static G(k, 0) and high-frequency G(k, infinity) local field approximation. By a direct comparison with molecular dynamics data, we find that for large coupling, G(k, 0) is inadequate. Based on this result, we employ the Zwanzig-Mori memory function approach to model the Thomson scattering cross section, i.e. the electron dynamic form factor S sub e sub e (k, omega) of a dense two-component plasma. We show the sensitivity of S sub e sub e (k, omega) to three approximations for G(k, omega).

  3. Quantum molecular dynamics simulations of transport properties in liquid and dense-plasma plutonium

    Science.gov (United States)

    Kress, J. D.; Cohen, James S.; Kilcrease, D. P.; Horner, D. A.; Collins, L. A.

    2011-02-01

    We have calculated the viscosity and self-diffusion coefficients of plutonium in the liquid phase using quantum molecular dynamics (QMD) and in the dense-plasma phase using orbital-free molecular dynamics (OFMD), as well as in the intermediate warm dense matter regime with both methods. Our liquid metal results for viscosity are about 40% lower than measured experimentally, whereas a previous calculation using an empirical interatomic potential (modified embedded-atom method) obtained results 3-4 times larger than the experiment. The QMD and OFMD results agree well at the intermediate temperatures. The calculations in the dense-plasma regime for temperatures from 50 to 5000 eV and densities about 1-5 times ambient are compared with the one-component plasma (OCP) model, using effective charges given by the average-atom code inferno. The inferno-OCP model results agree with the OFMD to within about a factor of 2, except for the viscosity at temperatures less than about 100 eV, where the disagreement is greater. A Stokes-Einstein relationship of the viscosities and diffusion coefficients is found to hold fairly well separately in both the liquid and dense-plasma regimes.

  4. The Mochi project: a field theory approach to plasma dynamics and self-organization

    Science.gov (United States)

    You, Setthivoine; von der Linden, Jens; Lavine, Eric Sander; Card, Alexander; Carroll, Evan

    2016-10-01

    The Mochi project is designed to study the interaction between plasma flows and magnetic fields from the point-of-view of canonical flux tubes. The Mochi Labjet experiment is being commissioned after achieving first plasma. Analytical and numerical tools are being developed to visualize canonical flux tubes. One analytical tool described here is a field theory approach to plasma dynamics and self-organization. A redefinition of the Lagrangian of a multi-particle system in fields reformulates the single-particle, kinetic, and fluid equations governing fluid and plasma dynamics as a single set of generalized Maxwell's equations and Ohm's law for canonical force-fields. The Lagrangian includes new terms representing the coupling between the motion of particle distributions, between distributions and electromagnetic fields, with relativistic contributions. The formulation shows that the concepts of self-organization and canonical helicity transport are applicable across single-particle, kinetic, and fluid regimes, at classical and relativistic scales. The theory gives the basis for comparing canonical helicity change to energy change in general systems. This work is supported by by US DOE Grant DE-SC0010340.

  5. Dynamics between the fishbone instability and nonlocal transient transport in HL-2A NBI plasmas

    Science.gov (United States)

    Chen, W.; Xu, Y.; Ding, X. T.; Shi, Z. B.; Jiang, M.; Zhong, W. L.; Ji, X. Q.; HL-2A Team

    2016-04-01

    Understanding of nonlocal electron heat transport is of key importance for current magnetic confinement fusion research. Global nonlocal response presents a fundamental challenge to the standard anomalous transport model based on local microinstabilities and turbulence. Here, we present for the first time a new nonlocal phenomenon triggered by the fishbone instability in HL-2A neutral beam injection plasmas. Rapid core heating leads to a simultaneous decrease in temperature at the plasma edge. The effect reveals fast anomalous transport of core heat pulses to the plasma edge, not compatible with diffusive time scales. More importantly, Δ {{T}\\text{e}}/text{e}}> variations at different locations are restricted by the intensity of magnetic fluctuations. The Δ {{T}\\text{e}}/text{e}}> and {{≤ft(δ {{B}θ}\\right)}\\text{rms}} form two types of hysteresis loops at two sides of the inversion radius. The ECEIs show that the 2D mode structure of the fishbone is intensive shearing/spiraling during the nonlocal transport. Experimental results suggest that magnetic perturbation, long-range correlation, mesoscale structure and E× B flow play crucial roles in the nonlocal response. The Hurst exponent and auto-correlation coefficient indicate that the nonlocal transport is potentially linked to the self-organized critical (SOC) dynamics. This work will be beneficial for understanding of the plasma dynamics in future fusion reactors.

  6. Demonstrating Universal Scaling in Quench Dynamics of a Yukawa One-Component Plasma

    CERN Document Server

    Langin, T K; Maksimovic, N; McQuillen, P; Pohl, T; Vrinceanu, D; Killian, T C

    2015-01-01

    The Yukawa one-component plasma (OCP) is a paradigm model for describing plasmas that contain one component of interest and one or more other components that can be treated as a neutralizing, screening background. In appropriately scaled units, interactions are characterized entirely by a screening parameter, $\\kappa$. As a result, systems of similar $\\kappa$ show the same dynamics, regardless of the underlying parameters (e.g., density and temperature). We demonstrate this behavior using ultracold neutral plasmas (UNP) created by photoionizing a cold ($T\\le10$ mK) gas. The ions in UNP systems are well described by the Yukawa model, with the electrons providing the screening. Creation of the plasma through photoionization can be thought of as a rapid quench from $\\kappa_{0}=\\infty$ to a final $\\kappa$ value set by the electron density and temperature. We demonstrate experimentally that the post-quench dynamics are universal in $\\kappa$ over a factor of 30 in density and an order of magnitude in temperature. R...

  7. Quantum molecular dynamics simulations of transport properties in liquid and dense-plasma plutonium.

    Science.gov (United States)

    Kress, J D; Cohen, James S; Kilcrease, D P; Horner, D A; Collins, L A

    2011-02-01

    We have calculated the viscosity and self-diffusion coefficients of plutonium in the liquid phase using quantum molecular dynamics (QMD) and in the dense-plasma phase using orbital-free molecular dynamics (OFMD), as well as in the intermediate warm dense matter regime with both methods. Our liquid metal results for viscosity are about 40% lower than measured experimentally, whereas a previous calculation using an empirical interatomic potential (modified embedded-atom method) obtained results 3-4 times larger than the experiment. The QMD and OFMD results agree well at the intermediate temperatures. The calculations in the dense-plasma regime for temperatures from 50 to 5000 eV and densities about 1-5 times ambient are compared with the one-component plasma (OCP) model, using effective charges given by the average-atom code INFERNO. The INFERNO-OCP model results agree with the OFMD to within about a factor of 2, except for the viscosity at temperatures less than about 100 eV, where the disagreement is greater. A Stokes-Einstein relationship of the viscosities and diffusion coefficients is found to hold fairly well separately in both the liquid and dense-plasma regimes.

  8. Dynamical interplay between fluctuations, electric fields and transport in fusion plasmas

    Indian Academy of Sciences (India)

    C Hidalgo; B Gonçalves; M A Pedrosa

    2003-12-01

    A view of recent experimental results and progress in the characterization of the statistical properties of electrostatic turbulence in magnetically confined devices is given. An empirical similarity in the scaling properties of the probability distribution function (PDF) of turbulent transport has been observed in the plasma edge region in fusion plasmas. The investigation of the dynamical interplay between fluctuation in gradients, turbulent transport and radial electric fields has shown that these parameters are strongly coupled both in tokamak and stellarator plasmas. The bursty behaviour of turbulent transport is linked with a departure from the most probable radial gradient. The dynamical relation between fluctuations in gradients and transport is strongly affected by the presence of sheared poloidal flows which organized themselves near marginal stability. These results emphasize the importance of the statistical description of transport processes in fusion plasmas as an alternative approach to the traditional way to characterize transport based on the computation of effective transport coefficients.

  9. The internal structure and dynamics of the railgun plasma armature between infinitely wide ablating rails

    Science.gov (United States)

    Frese, M. H.

    Conventional guns cannot achieve projectile velocities much greater than the sound speed in burned chemical propellants. Plasma armature railguns should not be subject to the same type of velocity limit. However, experiments indicate that there may be some other mechanism which can limit the velocity. A theory that accurately predicts the observed velocity limit could provide the insight necessary to raise or even lift that limit. As yet, there is no theoretical explanation drawn from physical first principles which predicts a limit to the achievable velocity. This report describes the first phase of an effort to use two-dimensional dynamic magnetohydrodynamic (MHD) simulation of the plasma motion in the bore to produce such an explanation. In this phase, MACH2, an Air Force two-dimensional MHD code has been quickly adapted to this problem. The principal goal of this effort was to demonstrate the feasibility and desirability of using MACH2 for railgun armature simulation. However, the simulations of plasma armatures described here are the most sophisticated models of the railgun arc presently available; they show the armature as a dynamic and developing plasma in a way never before seen. The goal could not have been more clearly achieved.

  10. Density Fluctuations in the Yukawa One Component Plasma: An accurate model for the dynamical structure factor

    CERN Document Server

    Mithen, James P; Crowley, Basil J B; Gregori, Gianluca

    2011-01-01

    Using numerical simulations, we investigate the equilibrium dynamics of a single component fluid with Yukawa interaction potential. We show that, for a wide range of densities and temperatures, the dynamics of the system are in striking agreement with a simple model of generalized hydrodynamics. Since the Yukawa potential can describe the ion-ion interactions in a plasma, the model has significant applicability for both analyzing and interpreting the results of x-ray scattering data from high power lasers and fourth generation light sources.

  11. Dynamic Characteristics of Growing Modes of Raman Instability from Intense Laser Beam Propagating Through Plasma

    Institute of Scientific and Technical Information of China (English)

    LIU Shi-Bing; CHEN Tao; CHEN Shi-Gang

    2004-01-01

    An essential dispersion relation,which can describe the dynamic properties of stimulated Raman scattering instability as a laser beam propagates through plasmas,is derived analytically.The development of growth mode,angle distribution,and temperature dependence of the instabilities are presented by solving this dispersion relation numerically.A significant dynamic characteristic has been revealed that the temperature increasing of the electron would result in redshift of scattered spectrum at high laser intensities.Furthermore,a novel modulational instability with double-peak temporal structure appears in a limited density region because of the coupling of scattered upshift and downshift waves.

  12. Electron beam dynamics and self-cooling up to PeV level due to betatron radiation in plasma-based accelerators

    Science.gov (United States)

    Deng, Aihua; Nakajima, Kazuhisa; Liu, Jiansheng; Shen, Baifei; Zhang, Xiaomei; Yu, Yahong; Li, Wentao; Li, Ruxin; Xu, Zhizhan

    2012-08-01

    In plasma-based accelerators, electrons are accelerated by ultrahigh gradient of 1-100GV/m and undergo the focusing force with the same order as the accelerating force. Heated electrons are injected in a plasma wake and exhibit the betatron oscillation that generates synchrotron radiation. Intense betatron radiation from laser-plasma accelerators is attractive x-ray/gamma-ray sources, while it produces radiation loss and significant effects on energy spread and transverse emittance via the radiation reaction force. In this article, electron beam dynamics on transverse emittance and energy spread with considering radiation reaction effects are studied numerically. It is found that the emittance growth and the energy spread damping initially dominate and balance with radiative damping due to the betatron radiation. Afterward the emittance turns to decrease at a constant rate and leads to the equilibrium at a nanometer radian level with growth due to Coulomb scattering at PeV-level energies. A constant radiation loss rate RT=2/3 is found without regard to the electron beam and plasma conditions. Self-cooling of electron beams due to betatron radiation may guarantee TeV-range linear colliders and give hints on astrophysical ultrahigh-energy phenomena.

  13. Reaction dynamics. Extremely short-lived reaction resonances in Cl + HD (v = 1) → DCl + H due to chemical bond softening.

    Science.gov (United States)

    Yang, Tiangang; Chen, Jun; Huang, Long; Wang, Tao; Xiao, Chunlei; Sun, Zhigang; Dai, Dongxu; Yang, Xueming; Zhang, Dong H

    2015-01-02

    The Cl + H2 reaction is an important benchmark system in the study of chemical reaction dynamics that has always appeared to proceed via a direct abstraction mechanism, with no clear signature of reaction resonances. Here we report a high-resolution crossed-molecular beam study on the Cl + HD (v = 1, j = 0) → DCl + H reaction (where v is the vibrational quantum number and j is the rotational quantum number). Very few forward scattered products were observed. However, two distinctive peaks at collision energies of 2.4 and 4.3 kilocalories per mole for the DCl (v' = 1) product were detected in the backward scattering direction. Detailed quantum dynamics calculations on a highly accurate potential energy surface suggested that these features originate from two very short-lived dynamical resonances trapped in the peculiar H-DCl (v' = 2) vibrational adiabatic potential wells that result from chemical bond softening. We anticipate that dynamical resonances trapped in such wells exist in many reactions involving vibrationally excited molecules.

  14. Plasma contact system activation drives anaphylaxis in severe mast cell-mediated allergic reactions

    NARCIS (Netherlands)

    Sala-Cunill, Anna; Björkqvist, Jenny; Senter, Riccardo; Guilarte, Mar; Cardona, Victoria; Labrador, Moises; Nickel, Katrin F; Butler, Lynn; Luengo, Olga; Kumar, Parvin; Labberton, Linda; Long, Andy; Di Gennaro, Antonio; Kenne, Ellinor; Jämsä, Anne; Krieger, Thorsten; Schlüter, Hartmut; Fuchs, Tobias; Flohr, Stefanie; Hassiepen, Ulrich; Cumin, Frederic; McCrae, Keith; Maas, Coen; Stavrou, Evi; Renné, Thomas

    2015-01-01

    BACKGROUND: Anaphylaxis is an acute, potentially lethal, multisystem syndrome resulting from the sudden release of mast cell-derived mediators into the circulation. OBJECTIVES AND METHODS: We report here that a plasma protease cascade, the factor XII-driven contact system, critically contributes to

  15. Weakly nonlinear dynamics in noncanonical Hamiltonian systems with applications to fluids and plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Morrison, P.J., E-mail: morrison@physics.utexas.edu [Department of Physics and Institute for Fusion Studies, University of Texas, Austin (United States); Vanneste, J. [School of Mathematics and Maxwell Institute for Mathematical Sciences, University of Edinburgh (United Kingdom)

    2016-05-15

    A method, called beatification, is presented for rapidly extracting weakly nonlinear Hamiltonian systems that describe the dynamics near equilibria of systems possessing Hamiltonian form in terms of noncanonical Poisson brackets. The procedure applies to systems like fluids and plasmas in terms of Eulerian variables that have such noncanonical Poisson brackets, i.e., brackets with nonstandard and possibly degenerate form. A collection of examples of both finite and infinite dimensions is presented.

  16. Dynamics of space plasma. Final report, 6 March 1989-1 September 1992

    Energy Technology Data Exchange (ETDEWEB)

    Albert, J.; Chan, C.; Silevitch, M.; Villalon, E.

    1992-09-01

    The research was focused into three related areas. These were: (A) An examination of stochastic electron acceleration mechanisms in the ionosphere and the resulting dynamics of magnetospheric (i.e., Radiation Belt) particles and waves; (B) A study of nonadiabatic particle orbits and the electrodynamic structure of the coupled magnetosphere-ionosphere auroral arc system; (C) An experimental investigation of the wake signatures created by a solid body immersed in a flowing plasma.

  17. Excitation of the dynamical dipole in the charge asymmetric reaction 16O + 116Sn

    Science.gov (United States)

    Corsi, A.; Wieland, O.; Kravchuk, V. L.; Bracco, A.; Camera, F.; Benzoni, G.; Blasi, N.; Brambilla, S.; Crespi, F. C. L.; Giussani, A.; Leoni, S.; Million, B.; Montanari, D.; Moroni, A.; Gramegna, F.; Lanchais, A.; Mastinu, P.; Brekiesz, M.; Kmiecik, M.; Maj, A.; Bruno, M.; D'Agostino, M.; Geraci, E.; Vannini, G.; Barlini, S.; Casini, G.; Chiari, M.; Nannini, A.; Ordine, A.; Di Toro, M.; Rizzo, C.; Colonna, M.; Baran, V.

    2009-08-01

    The γ-ray emission from the dynamical dipole formed in heavy-ion collisions during the process leading to fusion was measured for the N/Z asymmetric reaction 16O + 116Sn at beam energies of 8.1 and 15.6 MeV/nucleon. High-energy γ-rays and charged particles were measured in coincidence with the heavy recoiling residual nuclei. The data are compared with those from the N/Z symmetric reaction 64Ni + 68Zn at bombarding energies of 4.7 and 7.8 MeV/nucleon, leading to the same CN with the same excitation energies as calculated from kinematics. The measured yield of the high-energy γ-rays from the 16O-induced reaction is found to exceed that of the thermalized CN and the excess yield increases with bombarding energy. The data are in rather good agreement with the predictions for the dynamical dipole emission based on the Boltzmann-Nordheim-Vlasov model. In addition, a comparison with existing data in the same mass region is performed to extract information on the dipole moment dependence.

  18. Excitation of the dynamical dipole in the charge asymmetric reaction {sup 16}O + {sup 116}Sn

    Energy Technology Data Exchange (ETDEWEB)

    Corsi, A. [Dipartimento di Fisica, Universita di Milano, Milano (Italy); INFN Sezione di Milano, Milano (Italy); Wieland, O. [INFN Sezione di Milano, Milano (Italy); Kravchuk, V.L. [Laboratori Nazionali INFN di Legnaro, Legnaro (Italy); Bracco, A. [Dipartimento di Fisica, Universita di Milano, Milano (Italy); INFN Sezione di Milano, Milano (Italy); Camera, F. [Dipartimento di Fisica, Universita di Milano, Milano (Italy); INFN Sezione di Milano, Milano (Italy)], E-mail: franco.camera@mi.infn.it; Benzoni, G.; Blasi, N.; Brambilla, S. [INFN Sezione di Milano, Milano (Italy); Crespi, F.C.L.; Giussani, A.; Leoni, S. [Dipartimento di Fisica, Universita di Milano, Milano (Italy); INFN Sezione di Milano, Milano (Italy); Million, B. [INFN Sezione di Milano, Milano (Italy); Montanari, D.; Moroni, A. [Dipartimento di Fisica, Universita di Milano, Milano (Italy); INFN Sezione di Milano, Milano (Italy); Gramegna, F.; Lanchais, A.; Mastinu, P. [Laboratori Nazionali INFN di Legnaro, Legnaro (Italy); Brekiesz, M.; Kmiecik, M.; Maj, A. [Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, Krakow (Poland)] (and others)

    2009-08-24

    The {gamma}-ray emission from the dynamical dipole formed in heavy-ion collisions during the process leading to fusion was measured for the N/Z asymmetric reaction {sup 16}O + {sup 116}Sn at beam energies of 8.1 and 15.6 MeV/nucleon. High-energy {gamma}-rays and charged particles were measured in coincidence with the heavy recoiling residual nuclei. The data are compared with those from the N/Z symmetric reaction {sup 64}Ni + {sup 68}Zn at bombarding energies of 4.7 and 7.8 MeV/nucleon, leading to the same CN with the same excitation energies as calculated from kinematics. The measured yield of the high-energy {gamma}-rays from the {sup 16}O-induced reaction is found to exceed that of the thermalized CN and the excess yield increases with bombarding energy. The data are in rather good agreement with the predictions for the dynamical dipole emission based on the Boltzmann-Nordheim-Vlasov model. In addition, a comparison with existing data in the same mass region is performed to extract information on the dipole moment dependence.

  19. Acute Effects of Static and Dynamic Stretching on Balance, Agility, Reaction Time and Movement Time

    Directory of Open Access Journals (Sweden)

    Dimitris Chatzopoulos

    2014-06-01

    Full Text Available The purpose of this study was to compare the acute effects of three different stretching protocols on balance, agility, reaction time and movement time of the upper limbs. Participants were thirty one female high school athletes (age = 17.3 ± 0.5 yr.. All participants performed one of the following protocols on different days: (a 3 min jogging followed by 7 min static stretching (SS, (b 3 min jogging followed by 7 min dynamic stretching (DS, and (c 3 min jogging followed by 7 min of rest (NS. After the protocols participants performed the following tests: dynamic balance, 505 agility test, reaction time (time between a sound stimulus and release of a button and movement time (movement of the upper extremity over a 0.5 m distance. The order of stretching protocols and performance tests were counterbalanced to avoid carryover effects. Repeated measures analysis of variance revealed significant main effects for all variables except reaction time. The DS protocol compared to SS performed significantly better in balance, agility and movement time. Additionally, the DS protocol compared to NS performed significantly better in agility. According to the results of the study, a DS protocol is more appropriate than SS for activities that require balance, rapid change of running direction (agility and movement time of the upper extremities.

  20. Complex integrated method of dynamic meditation with Buddhists’ breathing in case of neurotic reactions

    Directory of Open Access Journals (Sweden)

    Omelyanenko V.I.

    2014-02-01

    Full Text Available Purpose: to elaborate complex integrated method of psychological influence upon sport dancers in time of training on base of Buddhists’ meditation “conscious breathing” for neurotic reactions elimination, professional skill improvement and psycho emotional stability advance. Material : twenty dancers at the age of 40-50 with neurotic reactions participated in the research. At the first stage of the research all the subjects’ ability to focus attention at breathing during sports dancing performance was examined. At the second stage training in method of dynamic meditation applied for martial arts of the experimental group of 10 subjects was conducted. Both individual and group training sessions were held. At the third stage the experimental group joined dynamic meditation and breathing at dance performance. At the fourth stage the experimental group’s results were compared with the control group’s results. Results : at the first stage of the research all the subjects noted difficulties in focusing attention on Buddhists’ nasal breathing and dance technique come-down. 3-5 sessions of training in method of dynamic meditation were necessary for the subjects of the experimental group at the second stage of the research. At the third stage of the research all the subjects of the experimental group could control their nasal breathing at dance performance without dance technique come-down. At the fourth stage the comparative evaluation of the results of the experimental and control groups revealed that it was necessary 3-7 sport dance practice sessions for elimination of the neurotic reactions. No such effect was observed in the control group. Conclusions : The results of the research prove that Buddhists’ meditation “conscious breathing” may be joined with dynamic meditation successfully. It’s impossible to focus attention continuously on breathing at time of sport dance performance. The elaborated technique of the integration of

  1. Examining the interaction of Europa with the Jovian magnetosphere using eruptive and multifluid plasma dynamic simulations

    Science.gov (United States)

    Paty, C. S.; Dufek, J.; Payan, A. P.

    2015-12-01

    Jupiter's icy moon Europa provides a unique laboratory for understanding the physics of moon-magnetosphere interactions. Europa possesses a conductive subsurface ocean, the interaction of which with the locally varying Jovian magnetic field is expressed by the observed inductive response. This icy moon also boasts a dynamic exosphere as well as eruptive plumes, which interact with the Jovian plasma as expressed via ultraviolet aurora. We investigate a broad range of parameter space related to the interaction of this icy moon with the rapidly rotating magnetosphere of Jupiter, systematically working through and quantifying various physical effects using a multifluid plasma dynamic modeling framework. Aside from induction and interactions with the exosphere, we will also present preliminary result from incorporating a neutral plume generated by an eruptive simulation. We run conduit simulations to get at neutral gas and particle injection velocities, which are in turn used as a source for the plasma dynamic simulations. We then investigate the distribution of neutrals, ions, and charged grains as a function of altitude.

  2. Structure and dynamics of plasma interfaces in laser-driven hohlraums

    Science.gov (United States)

    Li, C. K.; Sio, H.; Frenje, J. A.; Séguin, F. H.; Birkel, A.; Petrasso, R. D.; Wilks, S. C.; Amendt, P. A.; Remington, B. A.; Masson-Laborde, P.-E.; Laffite, S.; Tassin, V.; Betti, R.; Sanster, T. C.; Fitzsimmons, P.; Farrell, M.

    2016-10-01

    Understanding the structure and dynamics of plasma interfaces in laser-driven hohlraums is important because of their potential effects on capsule implosion dynamics. To that end, a series of experiments was performed to explore critical aspects of the hohlraum environment, with particular emphasis on the role of self-generated spontaneous electric and magnetic fields at plasma interfaces, including the interface between fill-gas and Au-blowoff. The charged fusion products (3-MeV DD protons and 14.7-MeV D3He protons generated in shock-driven, D3He filled backlighter capsule) pass through the subject hohlraum and form images on CR-39 nuclear track detectors, providing critical information. Important physics topics, including ion diffusive mix and Rayleigh-Taylor instabilities, will be studied to illuminate ion kinetic dynamics and hydrodynamic instability at plasma interfaces in laser-driven hohlraums. This work was supported in part by LLE, the U.S. DoE (NNSA, NLUF) and LLNL.

  3. DETERMINATION OF PROMINENCE PLASMA {beta} FROM THE DYNAMICS OF RISING PLUMES

    Energy Technology Data Exchange (ETDEWEB)

    Hillier, Andrew [Kwasan and Hida Observatories, Kyoto University, Kyoto (Japan); Hillier, Richard [Department of Aeronautics, Imperial College, London (United Kingdom); Tripathi, Durgesh, E-mail: andrew@kwasan.kyoto-u.ac.jp [Inter-University Centre for Astronomy and Astrophysics, Post Bag 4, Ganeshkhind, Pune 411 007 (India)

    2012-12-20

    Observations by the Hinode satellite show in great detail the dynamics of rising plumes, dark in chromospheric lines, in quiescent prominences that propagate from large ({approx}10 Mm) bubbles that form at the base of the prominences. These plumes present a very interesting opportunity to study magnetohydrodynamic (MHD) phenomena in quiescent prominences, but obstacles still remain. One of the biggest issues is that of the magnetic field strength, which is not easily measurable in prominences. In this paper we present a method that may be used to determine a prominence's plasma {beta} when rising plumes are observed. Using the classic fluid dynamic solution for flow around a circular cylinder with an MHD correction, the compression of the prominence material can be estimated. This has been successfully confirmed through simulations; application to a prominence gave an estimate of the plasma {beta} as {beta} = 0.47 {+-} 0.079 to 1.13 {+-} 0.080 for the range {gamma} = 1.4-1.7. Using this method it may be possible to estimate the plasma {beta} of observed prominences, therefore helping our understanding of a prominence's dynamics in terms of MHD phenomena.

  4. Direct measurements of the energy flux due to chemical reactions at the surface of a silicon sample interacting with a SF6 plasma

    CERN Document Server

    Dussart, Remi; Pichon, Laurianne E; Bedra, Larbi; Semmar, Nadjib; Lefaucheux, Philippe; Mathias, Jacky; Tessier, Yves; 10.1063/1.2995988

    2008-01-01

    Energy exchanges due to chemical reactions between a silicon surface and a SF6 plasma were directly measured using a heat flux microsensor (HFM). The energy flux evolution was compared with those obtained when only few reactions occur at the surface to show the part of chemical reactions. At 800 W, the measured energy flux due to chemical reactions is estimated at about 7 W.cm\\^{-2} against 0.4 W.cm\\^{-2} for ion bombardment and other contributions. Time evolution of the HFM signal is also studied. The molar enthalpy of the reaction giving SiF4 molecules was evaluated and is consistent with values given in literature.

  5. Ignition and dynamics of high-voltage glow discharge plasma implantation

    Science.gov (United States)

    Fu, Ricky K. Y.; Chu, Paul K.; Tian, X. B.; Yang, S. Q.

    2006-01-01

    The self-ignition and dynamics of glow discharge plasma in the pulsed high-voltage plasma immersion ion implantation mode have been investigated. After ignition during the pulse-on period, the glow discharge continues to be sustained for a long period of time after the high-voltage pulse has been turned off as monitored by a Langmuir probe. The glow discharge and ignition lie on the left side of the Paschen curve when pd (gas pressure times electrode separation) is adjusted by using different anode to cathode distances utilizing a conducting grounded grid. The increased or constant implantation current Ia reveals that the ion sheath is stable and conforms to the cathode structure as the plasma density increases by one to two orders of magnitude towards the anode. In addition, the duration of the post-pulse-off plasma can be as long as several times of the pulse duration. The ignition time and duration of the plasma depend on the working pressure, applied voltage and pulse duration.

  6. Amoeba-Inspired Heuristic Search Dynamics for Exploring Chemical Reaction Paths.

    Science.gov (United States)

    Aono, Masashi; Wakabayashi, Masamitsu

    2015-09-01

    We propose a nature-inspired model for simulating chemical reactions in a computationally resource-saving manner. The model was developed by extending our previously proposed heuristic search algorithm, called "AmoebaSAT [Aono et al. 2013]," which was inspired by the spatiotemporal dynamics of a single-celled amoeboid organism that exhibits sophisticated computing capabilities in adapting to its environment efficiently [Zhu et al. 2013]. AmoebaSAT is used for solving an NP-complete combinatorial optimization problem [Garey and Johnson 1979], "the satisfiability problem," and finds a constraint-satisfying solution at a speed that is dramatically faster than one of the conventionally known fastest stochastic local search methods [Iwama and Tamaki 2004] for a class of randomly generated problem instances [ http://www.cs.ubc.ca/~hoos/5/benchm.html ]. In cases where the problem has more than one solution, AmoebaSAT exhibits dynamic transition behavior among a variety of the solutions. Inheriting these features of AmoebaSAT, we formulate "AmoebaChem," which explores a variety of metastable molecules in which several constraints determined by input atoms are satisfied and generates dynamic transition processes among the metastable molecules. AmoebaChem and its developed forms will be applied to the study of the origins of life, to discover reaction paths for which expected or unexpected organic compounds may be formed via unknown unstable intermediates and to estimate the likelihood of each of the discovered paths.

  7. Amoeba-Inspired Heuristic Search Dynamics for Exploring Chemical Reaction Paths

    Science.gov (United States)

    Aono, Masashi; Wakabayashi, Masamitsu

    2015-09-01

    We propose a nature-inspired model for simulating chemical reactions in a computationally resource-saving manner. The model was developed by extending our previously proposed heuristic search algorithm, called "AmoebaSAT [Aono et al. 2013]," which was inspired by the spatiotemporal dynamics of a single-celled amoeboid organism that exhibits sophisticated computing capabilities in adapting to its environment efficiently [Zhu et al. 2013]. AmoebaSAT is used for solving an NP-complete combinatorial optimization problem [Garey and Johnson 1979], "the satisfiability problem," and finds a constraint-satisfying solution at a speed that is dramatically faster than one of the conventionally known fastest stochastic local search methods [Iwama and Tamaki 2004] for a class of randomly generated problem instances [http://www.cs.ubc.ca/~hoos/5/benchm.html]. In cases where the problem has more than one solution, AmoebaSAT exhibits dynamic transition behavior among a variety of the solutions. Inheriting these features of AmoebaSAT, we formulate "AmoebaChem," which explores a variety of metastable molecules in which several constraints determined by input atoms are satisfied and generates dynamic transition processes among the metastable molecules. AmoebaChem and its developed forms will be applied to the study of the origins of life, to discover reaction paths for which expected or unexpected organic compounds may be formed via unknown unstable intermediates and to estimate the likelihood of each of the discovered paths.

  8. Comparative Static and Dynamic Study of a Prototype SN2 Reaction.

    Science.gov (United States)

    Joubert, Laurent; Pavone, Michele; Barone, Vincenzo; Adamo, Carlo

    2006-09-01

    Ab initio molecular-dynamic simulations, using density functional theory (DFT) and the recent atom-centered density-matrix propagation method (ADMP), were used to study the bond formation process in a prototypical SN2 reaction, namely the Walden inversion. Using the real space partition schemes of both electronic density and electron localization function gradient fields, we analyzed different quantum chemical topology (QCT) properties along the ADMP trajectory. In particular, atomic charges derived from the Bader's atoms-in-molecules (AIM) theory were used to analyze intra- and intermolecular charge transfers between atoms, while the electronic population of the forming bonding basin obtained from the electron localization function (ELF) gradient field was employed to describe the bond formation process. These results were compared to the corresponding QCT properties issuing from a static approach based on the intrinsic reaction path (IRP). Although similar features are found for both static and dynamic approaches, the dynamic QCT analysis provides some explanation of the differences observed during the formation of the ion-molecule complex. In particular, it suggests a stronger electron exchange leading to an effective maximization of both covalent and noncovalent interactions.

  9. Perspective: Insight into reaction coordinates and dynamics from the potential energy landscape

    Science.gov (United States)

    Wales, D. J.

    2015-04-01

    This perspective focuses on conceptual and computational aspects of the potential energy landscape framework. It has two objectives: first to summarise some key developments of the approach and second to illustrate how such techniques can be applied using a specific example that exploits knowledge of pathways. Recent developments in theory and simulation within the landscape framework are first outlined, including methods for structure prediction, analysis of global thermodynamic properties, and treatment of rare event dynamics. We then develop a connection between the kinetic transition network treatment of dynamics and a potential of mean force defined by a reaction coordinate. The effect of projection from the full configuration space to low dimensionality is illustrated for an atomic cluster. In this example, where a relatively successful structural order parameter is available, the principal change in cluster morphology is reproduced, but some details are not faithfully represented. In contrast, a profile based on configurations that correspond to the discrete path defined geometrically retains all the barriers and minima. This comparison provides insight into the physical origins of "friction" effects in low-dimensionality descriptions of dynamics based upon a reaction coordinate.

  10. A molecular dynamics study of bond exchange reactions in covalent adaptable networks.

    Science.gov (United States)

    Yang, Hua; Yu, Kai; Mu, Xiaoming; Shi, Xinghua; Wei, Yujie; Guo, Yafang; Qi, H Jerry

    2015-08-21

    Covalent adaptable networks are polymers that can alter the arrangement of network connections by bond exchange reactions where an active unit attaches to an existing bond then kicks off its pre-existing peer to form a new bond. When the polymer is stretched, bond exchange reactions lead to stress relaxation and plastic deformation, or the so-called reforming. In addition, two pieces of polymers can be rejoined together without introducing additional monomers or chemicals on the interface, enabling welding and reprocessing. Although covalent adaptable networks have been researched extensively in the past, knowledge about the macromolecular level network alternations is limited. In this study, molecular dynamics simulations are used to investigate the macromolecular details of bond exchange reactions in a recently reported epoxy system. An algorithm for bond exchange reactions is first developed and applied to study a crosslinking network formed by epoxy resin DGEBA with the crosslinking agent tricarballylic acid. The trace of the active units is tracked to show the migration of these units within the network. Network properties, such as the distance between two neighboring crosslink sites, the chain angle, and the initial modulus, are examined after each iteration of the bond exchange reactions to provide detailed information about how material behaviors and macromolecular structure evolve. Stress relaxation simulations are also conducted. It is found that even though bond exchange reactions change the macroscopic shape of the network, microscopic network characteristic features, such as the distance between two neighboring crosslink sites and the chain angle, relax back to the unstretched isotropic state. Comparison with a recent scaling theory also shows good agreement.

  11. Comparative dynamics of the two channels of the reaction of D + MuH.

    Science.gov (United States)

    Aoiz, F J; Aldegunde, J; Herrero, V J; Sáez-Rábanos, V

    2014-06-07

    The dynamics of the asymmetric D + MuH (Mu = Muonium) reaction leading to Mu exchange, DMu + H, and H abstraction, DH + Mu, channels has been investigated using time-independent quantum mechanical (QM) calculations. Reaction probabilities, cross sections, cumulative reaction probabilities, and rate coefficients were determined for the two exit channels of the reaction. Quasiclassical trajectory (QCT) calculations were also performed in order to check the reliability of the method for this reaction and to discern the genuine quantum effects. Overall, the Mu exchange channel exhibits more structured reaction probabilities and cross sections with much larger rate coefficients than the H abstraction counterpart. Over the 100-1000 K temperature interval considered in this study, the QM rate coefficients for the Mu exchange vary between ≈5 × 10(-15) and 2 × 10(-11) cm(3) s(-1) and those for the generation of DH + Mu between 2 × 10(-18) and 3.5 × 10(-12) cm(3) s(-1). In common with the rest of the isotopologues of the H + H2 system, the height of the respective barriers in the collinear (symmetric stretch) vibrationally adiabatic potential energy curves matches the classical total energy threshold very accurately. Indeed, the lower and narrower vibrationally adiabatic collinear barrier as compared with that for the DH + Mu formation determines the preponderance of the DMu + H channel. Comparison of QM and QCT results and their analysis show that tunneling accounts for the reactivity at energies below the height of these barriers and that its effect on the rate coefficients becomes appreciable below 300 K. As expected, with growing temperature the contribution of tunneling to the global reactivity decreases markedly, but the rate coefficients are still much higher for the Mu exchange channel due to the effect of MuH rotational excitation that boosts the formation of DMu while diminishing the H abstraction channel that leads to DH formation. The analysis of the

  12. Direct imaging of the dynamics of a laser-plasma accelerator operating in the bubble-regime

    CERN Document Server

    Sävert, A; Schnell, M; Cole, J M; Nicolai, M; Reuter, M; Schwab, M B; Möller, M; Poder, K; Jäckel, O; Paulus, G G; Spielmann, C; Najmudin, Z; Kaluza, M C

    2014-01-01

    Laser-plasma accelerators operating in the bubble-regime generate quasi-monoenergetic multi-gigaelectronvolt electron beams with femtosecond duration and micrometre size. These beams are produced by accelerating in laser-driven plasma waves in only centimetre distances. Hence they have the potential to be compact alternatives to conventional accelerators. However, since the plasma wave moves at ultra-relativistic speed making detailed observation extremely difficult, most of our current understanding has been gained from high-performance computer simulations. Here, we present experimental results from an ultra-fast optical imaging technique visualising for the first time the non-linear dynamics in a laser-plasma accelerator. By freezing the relativistic motion of the plasma wave, our measurements reveal insight of unprecedented detail. In particular, we observe the plasma wave's non-linear formation, breaking, and transformation into a single bubble for the first time. Understanding the acceleration dynamics ...

  13. Ultrafast chemical reactions in shocked nitromethane probed with dynamic ellipsometry and transient absorption spectroscopy.

    Science.gov (United States)

    Brown, Kathryn E; McGrane, Shawn D; Bolme, Cynthia A; Moore, David S

    2014-04-10

    Initiation of the shock driven chemical reactions and detonation of nitromethane (NM) can be sensitized by the addition of a weak base; however, the chemical mechanism by which sensitization occurs remains unclear. We investigated the shock driven chemical reaction in NM and in NM sensitized with diethylenetriamine (DETA), using a sustained 300 ps shock driven by a chirped Ti:sapphire laser. We measured the solutions' visible transient absorption spectra and measured interface particle and shock velocities of the nitromethane solutions using ultrafast dynamic ellipsometry. We found there to be a volume-increasing reaction that takes place around interface particle velocity up = 2.4 km/s and up = 2.2 km/s for neat NM and NM with 5% DETA, respectively. The rate at which transient absorption increases is similar in all mixtures, but with decreasing induction times for solutions with increasing DETA concentrations. This result supports the hypothesis that the chemical reaction mechanisms for shocked NM and NM with DETA are the same. Data from shocked NM are compared to literature experimental and theoretical data.

  14. Investigation of Coal-biomass Catalytic Gasification using Experiments, Reaction Kinetics and Computational Fluid Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Battaglia, Francine [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Agblevor, Foster [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Klein, Michael [Univ. of Delaware, Newark, DE (United States); Sheikhi, Reza [Northeastern Univ., Boston, MA (United States)

    2015-12-31

    A collaborative effort involving experiments, kinetic modeling, and computational fluid dynamics (CFD) was used to understand co-gasification of coal-biomass mixtures. The overall goal of the work was to determine the key reactive properties for coal-biomass mixed fuels. Sub-bituminous coal was mixed with biomass feedstocks to determine the fluidization and gasification characteristics of hybrid poplar wood, switchgrass and corn stover. It was found that corn stover and poplar wood were the best feedstocks to use with coal. The novel approach of this project was the use of a red mud catalyst to improve gasification and lower gasification temperatures. An important results was the reduction of agglomeration of the biomass using the catalyst. An outcome of this work was the characterization of the chemical kinetics and reaction mechanisms of the co-gasification fuels, and the development of a set of models that can be integrated into other modeling environments. The multiphase flow code, MFIX, was used to simulate and predict the hydrodynamics and co-gasification, and results were validated with the experiments. The reaction kinetics modeling was used to develop a smaller set of reactions for tractable CFD calculations that represented the experiments. Finally, an efficient tool was developed, MCHARS, and coupled with MFIX to efficiently simulate the complex reaction kinetics.

  15. Investigation of Coal-biomass Catalytic Gasification using Experiments, Reaction Kinetics and Computational Fluid Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Battaglia, Francine [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Agblevor, Foster [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Klein, Michael [Univ. of Delaware, Newark, DE (United States); Sheikhi, Reza [Northeastern Univ., Boston, MA (United States)

    2015-09-30

    A collaborative effort involving experiments, kinetic modeling, and computational fluid dynamics (CFD) was used to understand co-gasification of coal-biomass mixtures. The overall goal of the work was to determine the key reactive properties for coal-biomass mixed fuels. Sub-bituminous coal was mixed with biomass feedstocks to determine the fluidization and gasification characteristics of hybrid poplar wood, switchgrass and corn stover. It was found that corn stover and poplar wood were the best feedstocks to use with coal. The novel approach of this project was the use of a red mud catalyst to improve gasification and lower gasification temperatures. An important results was the reduction of agglomeration of the biomass using the catalyst. An outcome of this work was the characterization of the chemical kinetics and reaction mechanisms of the co-gasification fuels, and the development of a set of models that can be integrated into other modeling environments. The multiphase flow code, MFIX, was used to simulate and predict the hydrodynamics and co-gasification, and results were validated with the experiments. The reaction kinetics modeling was used to develop a smaller set of reactions for tractable CFD calculations that represented the experiments. Finally, an efficient tool was developed, MCHARS, and coupled with MFIX to efficiently simulate the complex reaction kinetics.

  16. Preliminary study on atmospheric-pressure plasma-based chemical dry figuring and finishing of reaction-sintered silicon carbide

    Science.gov (United States)

    Shen, Xinmin; Deng, Hui; Zhang, Xiaonan; Peng, Kang; Yamamura, Kazuya

    2016-10-01

    Reaction-sintered silicon carbide (RS-SiC) is a research focus in the field of optical manufacturing. Atmospheric-pressure plasma-based chemical dry figuring and finishing, which consist of plasma chemical vaporization machining (PCVM) and plasma-assisted polishing (PAP), were applied to improve material removal rate (MRR) in rapid figuring and ameliorate surface quality in fine finishing. Through observing the processed RS-SiC sample in PCVM by scanning white-light interferometer (SWLI), the calculated peak-MRR and volume-MRR were 0.533 μm/min and 2.78×10-3 mm3/min, respectively. The comparisons of surface roughness and morphology of the RS-SiC samples before and after PCVM were obtained by the scanning electron microscope and atomic force microscope. It could be found that the processed RS-SiC surface was deteriorated with surface roughness rms 382.116 nm. The evaluations of surface quality of the processed RS-SiC sample in PAP corresponding to different collocations of autorotation speed and revolution speed were obtained by SWLI measurement. The optimal surface roughness rms of the processed RS-SiC sample in PAP was 2.186 nm. There were no subsurface damages, scratches, or residual stresses on the processed sample in PAP. The results indicate that parameters in PAP should be strictly selected, and the optimal parameters can simultaneously obtain high MRR and smooth surface.

  17. Total Reaction Cross Section in an Isospin-Dependent Quantum Molecular Dynamics Model

    Institute of Scientific and Technical Information of China (English)

    魏义彬; 蔡翔舟; 沈文庆; 马余刚; 张虎勇; 钟晨; 郭威; 陈金根; 马国亮; 王鲲

    2003-01-01

    The isospin-dependent quantum molecular dynamics (IDQMD) model is used to study the total reaction cross section σR. The energy-dependent Pauli volumes of neutrons and protons have been discussed and introduced into the IDQMD calculation to replace the widely used energy-independent Pauli volumes. The modified IDQMD calculation can reproduce the experimental cr R well for both stable and exotic nuclei induced reactions. Comparisons of the calculated σn induced by 11Li with different initial density distributions have been performed. It is shown that the calculation by using the experimentally deduced density distribution with a long tail can fit the experimental excitation function better than that by using the Skyrme-Hartree-Fock calculated density without long tails. It is also found that σR at high energy is sensitive to the long tail of density distribution.

  18. Parity violation and dynamical relativistic effects in $(\\vec{e},e'N)$ reactions

    CERN Document Server

    González-Jiménez, R; Donnelly, T W

    2015-01-01

    It is well known that coincidence quasielastic $(\\vec{e},e'N)$ reactions are not appropriate to analyze effects linked to parity violation due the presence of the fifth electromagnetic (EM) response $R^{TL'}$. Nevertheless, in this work we develop a fully relativistic approach to be applied to parity-violating (PV) quasielastic $(\\vec{e},e'N)$ processes. This is of importance as a preliminary step in the subsequent study of inclusive quasielastic PV $(\\vec{e},e')$ reactions. Moreover, our present analysis allows us to disentangle effects associated with the off-shell character of nucleons in nuclei, gauge ambiguities and the role played by the lower components in the nucleon wave functions, i.e., dynamical relativistic effects. This study can help in getting clear information on PV effects. Particular attention is paid to the relativistic plane-wave impulse approximation where the explicit expressions for the PV single-nucleon responses are shown for the first time.

  19. Communication: Mode specific quantum dynamics of the F + CHD3 → HF + CD3 reaction.

    Science.gov (United States)

    Qi, Ji; Song, Hongwei; Yang, Minghui; Palma, Juliana; Manthe, Uwe; Guo, Hua

    2016-05-01

    The mode specific reactivity of the F + CHD3 → HF + CD3 reaction is investigated using an eight-dimensional quantum dynamical model on a recently developed ab initio based full-dimensional potential energy surface. Our results indicate prominent resonance structures at low collision energies and absence of an energy threshold in reaction probabilities. It was also found that excitation of the C-D stretching or CD3 umbrella mode has a relatively small impact on reactivity. On the other hand, the excitation of the C-H vibration (v1) in CHD3 is shown to significantly increase the reactivity, which, like several recent quasi-classical trajectory studies, is at odds with the available experimental data. Possible sources of the disagreement are discussed.

  20. Rice Hypersensitive Induced Reaction Protein 1 (OsHIR1 associates with plasma membrane and triggers hypersensitive cell death

    Directory of Open Access Journals (Sweden)

    Sun Sai-Ming

    2010-12-01

    Full Text Available Abstract Background In plants, HIR (Hypersensitive Induced Reaction proteins, members of the PID (Proliferation, Ion and Death superfamily, have been shown to play a part in the development of spontaneous hypersensitive response lesions in leaves, in reaction to pathogen attacks. The levels of HIR proteins were shown to correlate with localized host cell deaths and defense responses in maize and barley. However, not much was known about the HIR proteins in rice. Since rice is an important cereal crop consumed by more than 50% of the populations in Asia and Africa, it is crucial to understand the mechanisms of disease responses in this plant. We previously identified the rice HIR1 (OsHIR1 as an interacting partner of the OsLRR1 (rice Leucine-Rich Repeat protein 1. Here we show that OsHIR1 triggers hypersensitive cell death and its localization to the plasma membrane is enhanced by OsLRR1. Result Through electron microscopy studies using wild type rice plants, OsHIR1 was found to mainly localize to the plasma membrane, with a minor portion localized to the tonoplast. Moreover, the plasma membrane localization of OsHIR1 was enhanced in transgenic rice plants overexpressing its interacting protein partner, OsLRR1. Co-localization of OsHIR1 and OsLRR1 to the plasma membrane was confirmed by double-labeling electron microscopy. Pathogen inoculation studies using transgenic Arabidopsis thaliana expressing either OsHIR1 or OsLRR1 showed that both transgenic lines exhibited increased resistance toward the bacterial pathogen Pseudomonas syringae pv. tomato DC3000. However, OsHIR1 transgenic plants produced more extensive spontaneous hypersensitive response lesions and contained lower titers of the invading pathogen, when compared to OsLRR1 transgenic plants. Conclusion The OsHIR1 protein is mainly localized to the plasma membrane, and its subcellular localization in that compartment is enhanced by OsLRR1. The expression of OsHIR1 may sensitize the plant