WorldWideScience

Sample records for hydrogenic impurity states

  1. Mechanisms of charge-state determination in hydrogen-based impurity complexes in crystalline germanium

    International Nuclear Information System (INIS)

    Oliva, J.

    1984-01-01

    Recent experiments suggest that hydrogen may become bound to, and then tunnel around, substitutional carbon, silicon, or oxygen impurities in crystalline germanium. All these complexes are electrically active; [H,C] and [H,Si] are shallow acceptors, while [H,O] is a shallow donor. This paper attempts to elucidate the basic physical mechanisms controlling the charge state of such complexes as a function of the choice of the substitutional atom. A minimal-basis Bethe-cluster approach is used with the cluster comprising the ten-atom tetrahedral cage (including the substitutional atom) and enclosed H site, the latter coupled to all ten atoms of the cage. The important local correlation effect which tends to favor single occupation of the H site is modeled with a Hubbard-type term at that site. The charge state of the [H,C], [H,Si], and [H,O] complexes is associated with double occupation of the H site. Four aspects of the model are involved in favoring double occupation: (1) a low value of the H-site energy, (2) a reduced local correlation effect at the H site, (3) small hybridization between the H site and cage, and (4) a low value of the substitutional-site energy relative to that of the host. Results for the charge state for H at the cage center and for H near the substitutional atom are discussed in detail. Several useful formal results for local self-energies and local Green's functions are presented

  2. Performance Improvement of V-Fe-Cr-Ti Solid State Hydrogen Storage Materials in Impure Hydrogen Gas.

    Science.gov (United States)

    Ulmer, Ulrich; Oertel, Daria; Diemant, Thomas; Bonatto Minella, Christian; Bergfeldt, Thomas; Dittmeyer, Roland; Behm, R Jürgen; Fichtner, Maximilian

    2018-01-17

    Two approaches of engineering surface structures of V-Ti-based solid solution hydrogen storage alloys are presented, which enable improved tolerance toward gaseous oxygen (O 2 ) impurities in hydrogen (H 2 ) gas. Surface modification is achieved through engineering lanthanum (La)- or nickel (Ni)-rich surface layers with enhanced cyclic stability in an H 2 /O 2 mixture. The formation of a Ni-rich surface layer does not improve the cycling stability in H 2 /O 2 mixtures. Mischmetal (Mm, a mixture of La and Ce) agglomerates are observed within the bulk and surface of the alloy when small amounts of this material are added during arc melting synthesis. These agglomerates provide hydrogen-transparent diffusion pathways into the bulk of the V-Ti-Cr-Fe hydrogen storage alloy when the remaining oxidized surface is already nontransparent for hydrogen. Thus, the cycling stability of the alloy is improved in an O 2 -containing hydrogen environment as compared to the same alloy without addition of Mm. The obtained surface-engineered storage material still absorbs hydrogen after 20 cycles in a hydrogen-oxygen mixture, while the original material is already deactivated after 4 cycles.

  3. Excited states of hydrogen shallow impurities in GaAs-Ga Al As quantum wells

    International Nuclear Information System (INIS)

    Neves Carneiro, Gleise das

    1994-01-01

    The study of shallow impurities in semiconductor heterostructures, such as quantum and superlattices, has been of continuous interest over the last years. Successful comparisons between experimental results photoluminescence: N.N Ledentsov et al., Appl. Phys. A 54, 261 (1992) and theoretical calculations [L.E. Oliveira and G.D. Mahan, Phys. Rev. B 47, 2406 (1993)] constitute a strong motivation for an in-depth theoretical study. We present a variational calculation of the binding energies of shallow donors in a Ga-As-AlGaAs quantum well. The energies and variational wave functions associated to the ground state (1s-like) as well as some excited states (2s, 2p xy , 2p xy , 3s, 3p xy , and 3p like) are obtained as functions of the position of the impurity (z i ) in the well. The density of impurity states, intra-donor transition strengths and the infrared absorption spectra are calculated for some of these excited states and results compared with previous theoretical [S. Fraizzoli, F. Bassani, and R. Buczko, Phys. rev. B 41, 5096 (1990)] and experimental works [N.C. Jarosik et al., Phys. Rev. Lett. 54, 1283 (1985). (author)

  4. Hydrogenic impurity in double quantum dots

    International Nuclear Information System (INIS)

    Wang, X.F.

    2007-01-01

    The ground state binding energy and the average interparticle distances for a hydrogenic impurity in double quantum dots with Gaussian confinement potential are studied by the variational method. The probability density of the electron is calculated, too. The dependence of the binding energy on the impurity position is investigated for GaAs quantum dots. The result shows that the binding energy has a minimum as a function of the distance between the two quantum dots when the impurity is located at the center of one quantum dot or at the center of the edge of one quantum dot. When the impurity is located at the center of the two dots, the binding energy decreases monotonically

  5. Electronic states of a hydrogenic impurity in a zinc-blende GaN/AlGaN quantum well

    International Nuclear Information System (INIS)

    Pattammal, M.; Peter, A. John

    2010-01-01

    Binding energies of ground and a few low lying excited states of a hydrogenic donor confined in a zinc-blende GaN/AlGaN quantum well are investigated. They are computed within the framework of single band effective mass approximation, by means of a variational approach. The donor states are investigated with the various impurity positions as a function of well width. The calculations have been carried out with the inclusion of conduction band non-parabolicity through the energy dependent effective mass. The variational solutions have been improved by using a two-parametric trial wavefunction. The results seem better and good agreement with the other investigators. To support our results, we observe that the values of variational parameters are consistent when two parameter wave function is used. We find that the inclusion of non-parabolic effects leads to more binding for all the values of well width and is significant for narrow wells. The results are compared with the existing available literature.

  6. Electronic states of a hydrogenic impurity in a zinc-blende GaN/AlGaN quantum well

    Energy Technology Data Exchange (ETDEWEB)

    Pattammal, M. [Dept.of Physics, Yadava College Coeducational Institute, Madurai 625 014 (India); Peter, A. John, E-mail: a.john.peter@gmail.com [Dept.of Physics, Govt. Arts and Science College, Melur 625 106 (India)

    2010-09-01

    Binding energies of ground and a few low lying excited states of a hydrogenic donor confined in a zinc-blende GaN/AlGaN quantum well are investigated. They are computed within the framework of single band effective mass approximation, by means of a variational approach. The donor states are investigated with the various impurity positions as a function of well width. The calculations have been carried out with the inclusion of conduction band non-parabolicity through the energy dependent effective mass. The variational solutions have been improved by using a two-parametric trial wavefunction. The results seem better and good agreement with the other investigators. To support our results, we observe that the values of variational parameters are consistent when two parameter wave function is used. We find that the inclusion of non-parabolic effects leads to more binding for all the values of well width and is significant for narrow wells. The results are compared with the existing available literature.

  7. Excited-states of hydrogenic-like impurities in InGaN–GaN spherical QD: Electric field effect

    Energy Technology Data Exchange (ETDEWEB)

    El Ghazi, Haddou, E-mail: hadghazi@gmail.com [LPS, Faculty of Sciences, Dhar EL Mehrez, B.P 1796 Atlas Fez (Morocco); Special Mathematics, CPGE Kénitra (Morocco); Jorio, Anouar [LPS, Faculty of Sciences, Dhar EL Mehrez, B.P 1796 Atlas Fez (Morocco)

    2013-12-01

    By means of a traditional Ritz variational method within the effective-mass and single parabolic band approximations, the excited-states energy with and without the existence of the impurity is performed. Externally applied electric field and system radius effects are considered in wurtzite (In,Ga)N–GaN spherical quantum dot with finite potential barrier. The normalized binding energy is also reported. Compared to the previous theoretical findings, a good agreement is shown.

  8. Excited-states of hydrogenic-like impurities in InGaN–GaN spherical QD: Electric field effect

    International Nuclear Information System (INIS)

    El Ghazi, Haddou; Jorio, Anouar

    2013-01-01

    By means of a traditional Ritz variational method within the effective-mass and single parabolic band approximations, the excited-states energy with and without the existence of the impurity is performed. Externally applied electric field and system radius effects are considered in wurtzite (In,Ga)N–GaN spherical quantum dot with finite potential barrier. The normalized binding energy is also reported. Compared to the previous theoretical findings, a good agreement is shown

  9. Tight-Binding Description of Impurity States in Semiconductors

    Science.gov (United States)

    Dominguez-Adame, F.

    2012-01-01

    Introductory textbooks in solid state physics usually present the hydrogenic impurity model to calculate the energy of carriers bound to donors or acceptors in semiconductors. This model treats the pure semiconductor as a homogeneous medium and the impurity is represented as a fixed point charge. This approach is only valid for shallow impurities…

  10. Interaction of hydrogen in carbon matrix with impurities of nickel

    International Nuclear Information System (INIS)

    Gervasoni, L L; Segui, S

    2012-01-01

    This work aims to define general criteria to allow theoretical and experimental design of new materials with high hydrogen content, with a view to their potential application as moderators in reactors at high temperatures and hydrogen storage materials. To this end we study the effects of Ni impurities on the properties of pure carbon (slabs as well as nanoparticles and gels) in order to analyze the thermodynamical characteristics, and improve the behavior of alloys for Ni-metal hydride rechargeable batteries. These elements are chosen because they have a wide range of solubility of hydrogen, which from the technological point of view makes them important candidates for the search for new materials. Our results show that this kind of carbon material could be used as support for hydrogen storage improving the screening charge density and the density of available states, as analyzed by the authors in previous works (author)

  11. Hopping conductivity via deep impurity states in InP

    International Nuclear Information System (INIS)

    Kuznetsov, V.P.; Messerer, M.A.; Omel'yanovskij, Eh.M.

    1984-01-01

    Hopping (epsilon 3 ) and Mott conductivities via deep impurity compounds with localization radius below 10 A have been studied using as an example Mn in InP. It is shown, that the existing theory of hopping conductivity in low-alloyed semiconductors with Na 3 << 1 can be Used for the case of deep centres as successfully as for the case of insignificant hydrogen-like impurities. Fundamental parameters of the theory: localization radius of wave function of deep impurities, state density near the Fermi level, mean hop length, are determined

  12. Impurity effects of hydrogen isotope retention on boronized wall in LHD

    International Nuclear Information System (INIS)

    Oya, Yasuhisa; Okuno, Kenji; Ashikawa, Naoko; Nishimura, Kiyohiko; Sagara, Akio

    2010-11-01

    The impurity effect on hydrogen isotopes retention in the boron film deposited in LHD was evaluated by means of XPS and TDS. It was found that the impurity concentrations in boron film were increased after H-H main plasma exposure in LHD. The ratio of hydrogen retention trapped by impurity to total hydrogen retention during H-H main plasma exposure was reached to 70%, although that of deuterium retention by impurity in D 2 + implanted LHD-boron film was about 35%. In addition, the dynamic chemical sputtering of hydrogen isotopes with impurity as the form of water and / or hydrocarbons was occurred by energetic hydrogen isotopes irradiation. It was expected that the enhancement of impurity concentration during plasma exposure in LHD would induce the dynamic formation of volatile molecules and their re-emission to plasma. These facts would prevent stable plasma operation in LHD, concluding that the dynamic impurity behavior in boron film during plasma exposure is one of key issues for the steady-state plasma operation in LHD. (author)

  13. Impurity doping effects on the orbital thermodynamic properties of hydrogenated graphene, graphane, in Harrison model

    Science.gov (United States)

    Yarmohammadi, Mohsen

    2016-12-01

    Using the Harrison model and Green's function technique, impurity doping effects on the orbital density of states (DOS), electronic heat capacity (EHC) and magnetic susceptibility (MS) of a monolayer hydrogenated graphene, chair-like graphane, are investigated. The effect of scattering between electrons and dilute charged impurities is discussed in terms of the self-consistent Born approximation. Our results show that the graphane is a semiconductor and its band gap decreases with impurity. As a remarkable point, comparatively EHC reaches almost linearly to Schottky anomaly and does not change at low temperatures in the presence of impurity. Generally, EHC and MS increases with impurity doping. Surprisingly, impurity doping only affects the salient behavior of py orbital contribution of carbon atoms due to the symmetry breaking.

  14. Research in Hydrogen Passivation of Defects and Impurities in Silicon: Final Report, 2 May 2000-2 July 2003

    International Nuclear Information System (INIS)

    Ashok, S.

    2004-01-01

    This subcontract report describes hydrogenating Si samples by different methods such as low-energy implantation, electron cyclotron resonance (ECR) plasma, and thermal diffusion. The samples were provided through NREL. The experimental work, carried out at Penn State, involved the study of hydrogen interaction with defects, trapping, migration, and formation of complexes. The principal vehicle for the latter study was ion implantation, and the intent to understand mechanisms of defect passivation and activation by hydrogen. NREL implemented a study of hydrogen passivation of impurities and defects in silicon solar cells. The work included theoretical and experimental components performed at different universities. The theoretical studies consisted of the calculation of the structure and parameters related to hydrogen diffusion and interactions of hydrogen with transition-metal impurities in silicon. Experimental studies involved measurements of hydrogen and hydrogen-impurity complexes, and diffusion properties of various species of hydrogen in Si. The experimental work at Penn State included introduction of hydrogen in a variety of PV Si by ECR plasma, low-energy ion implantation, and thermal diffusion. The specific tasks were the evaluation of hydrogen interaction with defects engineered by ion implantation; defect passivation, activation, and migration in hydrogenated Si under thermal anneal; and electrical activity of hydrogen-impurity complexes. Electrical characterization entailed I-V and C-V measurements, spreading resistance, and deep-level transient spectroscopy (DLTS)

  15. Impurity-induced states in superconducting heterostructures

    Science.gov (United States)

    Liu, Dong E.; Rossi, Enrico; Lutchyn, Roman M.

    2018-04-01

    Heterostructures allow the realization of electronic states that are difficult to obtain in isolated uniform systems. Exemplary is the case of quasi-one-dimensional heterostructures formed by a superconductor and a semiconductor with spin-orbit coupling in which Majorana zero-energy modes can be realized. We study the effect of a single impurity on the energy spectrum of superconducting heterostructures. We find that the coupling between the superconductor and the semiconductor can strongly affect the impurity-induced states and may induce additional subgap bound states that are not present in isolated uniform superconductors. For the case of quasi-one-dimensional superconductor/semiconductor heterostructures we obtain the conditions for which the low-energy impurity-induced bound states appear.

  16. Evaluation of hydrogen and oxygen impurity levels on silicon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kenny, M J; Wielunski, L S; Netterfield, R P; Martin, P J; Leistner, A [Commonwealth Scientific and Industrial Research Organisation (CSIRO), Lindfield, NSW (Australia). Div. of Applied Physics

    1997-12-31

    This paper reports on surface analytical techniques used to quantify surface concentrations of impurities such as oxygen and hydrogen. The following analytical techniques were used: Rutherford and Backscattering, elastic recoil detection, time-of-flight SIMS, spectroscopic ellipsometry, x-ray photoelectron spectroscopy. The results have shown a spread in thickness of oxide layer, ranging from unmeasurable to 1.6 nm. The data must be considered as preliminary at this stage, but give some insight into the suitability of the techniques and a general idea of the significance of impurities at the monolayer level. These measurements have been carried out on a small number of silicon surfaces both semiconductor grade <111> crystalline material and silicon which has been used in sphere fabrication. 5 refs., 1 fig.

  17. Evaluation of hydrogen and oxygen impurity levels on silicon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kenny, M.J.; Wielunski, L.S.; Netterfield, R.P.; Martin, P.J.; Leistner, A. [Commonwealth Scientific and Industrial Research Organisation (CSIRO), Lindfield, NSW (Australia). Div. of Applied Physics

    1996-12-31

    This paper reports on surface analytical techniques used to quantify surface concentrations of impurities such as oxygen and hydrogen. The following analytical techniques were used: Rutherford and Backscattering, elastic recoil detection, time-of-flight SIMS, spectroscopic ellipsometry, x-ray photoelectron spectroscopy. The results have shown a spread in thickness of oxide layer, ranging from unmeasurable to 1.6 nm. The data must be considered as preliminary at this stage, but give some insight into the suitability of the techniques and a general idea of the significance of impurities at the monolayer level. These measurements have been carried out on a small number of silicon surfaces both semiconductor grade <111> crystalline material and silicon which has been used in sphere fabrication. 5 refs., 1 fig.

  18. Hydrogenic donor impurity in parallel-triangular quantum wires: Hydrostatic pressure and applied electric field effects

    International Nuclear Information System (INIS)

    Restrepo, R.L.; Giraldo, E.; Miranda, G.L.; Ospina, W.; Duque, C.A.

    2009-01-01

    The combined effects of the hydrostatic pressure and in-growth direction applied electric field on the binding energy of hydrogenic shallow-donor impurity states in parallel-coupled-GaAs-Ga 1-x Al x As-quantum-well wires are calculated using a variational procedure within the effective-mass and parabolic-band approximations. Results are obtained for several dimensions of the structure, shallow-donor impurity positions, hydrostatic pressure, and applied electric field. Our results suggest that external inputs such us hydrostatic pressure and in-growth direction electric field are two useful tools in order to modify the binding energy of a donor impurity in parallel-coupled-quantum-well wires.

  19. Numerical calculation of impurity charge state distributions

    International Nuclear Information System (INIS)

    Crume, E.C.; Arnurius, D.E.

    1977-09-01

    The numerical calculation of impurity charge state distributions using the computer program IMPDYN is discussed. The time-dependent corona atomic physics model used in the calculations is reviewed, and general and specific treatments of electron impact ionization and recombination are referenced. The complete program and two examples relating to tokamak plasmas are given on a microfiche so that a user may verify that his version of the program is working properly. In the discussion of the examples, the corona steady-state approximation is shown to have significant defects when the plasma environment, particularly the electron temperature, is changing rapidly

  20. Impurity-defect complexes in hydrogenated amorphous silicon

    International Nuclear Information System (INIS)

    Yang, L.H.; Fong, C.Y.; Nichols, C.S.

    1991-01-01

    The two most outstanding features observed for dopants in hydrogenated amorphous silicon (a-Si:H)-a shift in the Fermi level accompanied by an increase in the defect density and an absence of degenerate doping have previously been postulated to stem from the formation of substitutional dopant-dangling bond complexes. Using first-principles self-consistent pseudopotential calculations in conjunction with a supercell model for the amorphous network and the ability of network relaxation from the first-principles results. The authors have studied the electronic and structural properties of substitutional fourfold-coordinated phosphorus and boron at the second neighbor position to a dangling bond defect. This paper demonstrates that such impurity-defect complexes can account for the general features observed experimentally in doped a-Si:H

  1. Impurity bound states in mesoscopic topological superconducting loops

    Science.gov (United States)

    Jin, Yan-Yan; Zha, Guo-Qiao; Zhou, Shi-Ping

    2018-06-01

    We study numerically the effect induced by magnetic impurities in topological s-wave superconducting loops with spin-orbit interaction based on spin-generalized Bogoliubov-de Gennes equations. In the case of a single magnetic impurity, it is found that the midgap bound states can cross the Fermi level at an appropriate impurity strength and the circulating spin current jumps at the crossing point. The evolution of the zero-energy mode can be effectively tuned by the located site of a single magnetic impurity. For the effect of many magnetic impurities, two independent midway or edge impurities cannot lead to the overlap of zero modes. The multiple zero-energy modes can be effectively realized by embedding a single Josephson junction with impurity scattering into the system, and the spin current displays oscillatory feature with increasing the layer thickness.

  2. Magnetic states of single impurity in disordered environment

    Directory of Open Access Journals (Sweden)

    G.W. Ponedilok

    2013-01-01

    Full Text Available The charged and magnetic states of isolated impurities dissolved in amorphous metallic alloy are investigated. The Hamiltonian of the system under study is the generalization of Anderson impurity model. Namely, the processes of elastic and non-elastic scattering of conductive electrons on the ions of a metal and on a charged impurity are included. The configuration averaged one-particle Green's functions are obtained within Hartree-Fock approximation. A system of self-consistent equations is given for calculation of an electronic spectrum, the charged and the spin-polarized impurity states. Qualitative analysis of the effect of the metallic host structural disorder on the observed values is performed. Additional shift and broadening of virtual impurity level is caused by a structural disorder of impurity environment.

  3. Effect of suprathermal electrons on the impurity ionization state

    International Nuclear Information System (INIS)

    Ochando, M A; Medina, F; Zurro, B; McCarthy, K J; Pedrosa, M A; Baciero, A; Rapisarda, D; Carmona, J M; Jimenez, D

    2006-01-01

    The effect of electron cyclotron resonance heating induced suprathermal electron tails on the ionization of iron impurities in magnetically confined plasmas is investigated. The behaviour of plasma emissivity immediately after injection provides evidence of a spatially localized 'shift' towards higher charge states of the impurity. Bearing in mind that the non-inductive plasma heating methods generate long lasting non-Maxwellian distribution functions, possible implications on the deduced impurity transport coefficients, when fast electrons are present, are discussed

  4. Catalytic hydrogenation of alkyne and alkadiene impurities from alkenes. Practical and theoretical aspects

    International Nuclear Information System (INIS)

    Nikolaev, S A; Smirnov, V V; Zanaveskin, Leonid N; Zanaveskin, K L; Averyanov, Vyacheslav A

    2009-01-01

    The review is devoted to heterogeneous catalysts for selective hydrogenation of highly unsaturated impurities (dienes and acetylenes) in hydrocarbonic streams. The most promising systems are nanocomposites on the basis of palladium or gold.

  5. Characterization of hydrogenated amorphous silicon. Some behaviors of hydrogen and impurities studied by film characterization techniques

    Energy Technology Data Exchange (ETDEWEB)

    Imura, Takeshi; Kubota, Kazuyoshi; Ushita, Katsumi; Hiraki, Akio

    1980-06-01

    Rutherford backscattering spectrometry and infrared absorption measurement were applied to determine composition in hydrogenated amorphous silicon fabricated either by glow discharge in SiH/sub 4/ plus H/sub 2/ or by reactive sputtering in Ar containing H/sub 2/ in a tetrode or diode sputtering apparatus. The atomic density of Si, the content and depth distribution of H, and the amount of impurities such as Ar were studied for the films deposited under several conditions of substrate temperature and gas pressure and constitution. Some difference was clarified between glow-discharge and sputter deposited films.

  6. Steady-state organization of binary mixtures by active impurities

    DEFF Research Database (Denmark)

    Sabra, Mads Christian; Gilhøj, Henriette; Mouritsen, Ole G.

    1998-01-01

    The structural reorganization of a phase-separated binary mixture in the presence of an annealed dilution of active impurities is studied by computer-simulation techniques via a simple two-dimensional lattice-gas model. The impurities, each of which has two internal states with different affinity...

  7. Impurity states in two - and three-dimensional disordered systems

    International Nuclear Information System (INIS)

    Silva, A.F. da; Fabbri, M.

    1984-01-01

    We investigate the microscopic structure of the impurity states in two-and three-dimensional (2D and 3d) disordered systems. A cluster model is outlined for the donor impurity density of states (DIDS) of doped semiconductors. It is shown that the impurity states are very sensitive to a change in the dimensionality of the system, i.e from 3D to 2D system. It is found that all eigenstates become localized in 2D disordered system for a large range of concentration. (Author) [pt

  8. Excited states of hydrogen shallow impurities in GaAs-Ga Al As quantum wells; Estados excitados de impurezas hidrogenoides rasas em pocos quanticos de GaAs-GaAlAs

    Energy Technology Data Exchange (ETDEWEB)

    Neves Carneiro, Gleise das

    1994-12-31

    The study of shallow impurities in semiconductor heterostructures, such as quantum and superlattices, has been of continuous interest over the last years. Successful comparisons between experimental results photoluminescence: N.N Ledentsov et al., Appl. Phys. A 54, 261 (1992) and theoretical calculations [L.E. Oliveira and G.D. Mahan, Phys. Rev. B 47, 2406 (1993)] constitute a strong motivation for an in-depth theoretical study. We present a variational calculation of the binding energies of shallow donors in a Ga-As-AlGaAs quantum well. The energies and variational wave functions associated to the ground state (1s-like) as well as some excited states (2s, 2p{sub xy}, 2p{sub xy}, 3s, 3p{sub xy}, and 3p like) are obtained as functions of the position of the impurity (z{sub i}) in the well. The density of impurity states, intra-donor transition strengths and the infrared absorption spectra are calculated for some of these excited states and results compared with previous theoretical [S. Fraizzoli, F. Bassani, and R. Buczko, Phys. rev. B 41, 5096 (1990)] and experimental works [N.C. Jarosik et al., Phys. Rev. Lett. 54, 1283 (1985)]. (author) 53 refs., 16 figs., 1 tab.

  9. Impact of the Injection Protocol on an Impurity's Stationary State

    Science.gov (United States)

    Gamayun, Oleksandr; Lychkovskiy, Oleg; Burovski, Evgeni; Malcomson, Matthew; Cheianov, Vadim V.; Zvonarev, Mikhail B.

    2018-06-01

    We examine stationary-state properties of an impurity particle injected into a one-dimensional quantum gas. We show that the value of the impurity's end velocity lies between zero and the speed of sound in the gas and is determined by the injection protocol. This way, the impurity's constant motion is a dynamically emergent phenomenon whose description goes beyond accounting for the kinematic constraints of the Landau approach to superfluidity. We provide exact analytic results in the thermodynamic limit and perform finite-size numerical simulations to demonstrate that the predicted phenomena are within the reach of the ultracold gas experiments.

  10. Quasibound states at thresholds in multichannel impurity scattering

    International Nuclear Information System (INIS)

    Kim, Sang Wook; Park, Hwa-Kyun; Sim, H-S; Schomerus, Henning

    2003-01-01

    We investigate the threshold behaviour of transmission resonances and quasibound states in the multichannel scattering problems of a one-dimensional (1D) time-dependent impurity potential, and the related problem of a single impurity in a quasi-1D wire. It was claimed before in the literature that a quasibound state disappears when a transmission zero collides with the subband boundary. However, the transmission line shape, the Friedel sum rule, and the delay time show that the quasibound states still survive and affect the physical quantities. We discuss the relation between threshold behaviour of transmission resonances, and quasibound states and their boundary conditions in the general context of multichannel scatterings

  11. Demixing of impurities and hydrogen as deduced from Zeff profiles in the boronized ASDEX

    International Nuclear Information System (INIS)

    Steuer, K.H.; Roehr, H.; Engelhardt, W.; Fussmann, G.; Kallenbach, A.; Kurzan, B.; Murmann, H.D.

    1990-01-01

    Substantial progress towards fusion has been made in the confinement, stability and heating of tokamak plasmas. The transport behaviour of magnetically confined plasmas, however, is still an unsolved problem. The transport mechanisms of hydrogen and of impurities are known to be different, leading to phenomena such as impurity accumulation on axis, especially in good confinement regimes, and more generally to demixing of the various species. Besides energy losses from impurity radiation, one has to be concerned about dilution of the fuel-ion density, and about effects that impurities may have on the main ion and electron transport. To understand the transport behaviour of the different plasma species, one needs their spatial density profiles. It is convenient to represent the various impurities by a characteristic impurity ion with a density n z and a fictive charge Z (Z = Σn i Z i 2 / Σn i Z i ; i ≥ 2). A typical value for Z is 7, indicating that light impurities are dominating. Comparing the different profiles, we find characteristic differences in the electron, proton and impurity transport behaviour. (orig./AH)

  12. Studies on impurity control and hydrogen pumping with chromium gettering in ISX-B

    International Nuclear Information System (INIS)

    Mioduszewski, P.; Simpkins, J.E.; Edmonds, P.H.; Isler, R.C.; Lazarus, E.A.; Ma, C.H.; Murakami, M.; Wootton, A.J.

    1984-01-01

    Chromium gettering has been proven to be a trouble-free and efficient method of surface pumping in tokamaks. The impurity control capabilities are excellent and comparable to that of titanium. The hydrogen uptake is reduced to monolayer quantities on the surface. The expansion of the operating space is similar to that seen with titanium without the disadvantage of strongly increased hydrogen fluxes. Possible applications of chromium gettering are: impurity control in contemporary tokamaks; surface pumping in short pulse DT-burning devices to minimize tritium inventory, and wall conditioning of future large machines prior to operation

  13. Electron stripping cross sections for light impurity ions in colliding with atomic hydrogens relevant to fusion research

    International Nuclear Information System (INIS)

    Tawara, H.

    1992-04-01

    Electron stripping (ionization) cross sections for impurity (carbon) ions with various charge states in collisions with atomic hydrogens have been surveyed. It has been found that these data are relatively limited both in collision energy and charge state and, in particular those necessary for high energy neutral beam injection (NBI) heating in fusion plasma research are scarce. Some relevant cross sections for carbon ions, C q+ (q = 0-5) have been estimated, based upon the existing data, empirical behavior and electron impact ionization data. (author)

  14. State of rare earth impurities in gallium and indium antimonides

    International Nuclear Information System (INIS)

    Evgen'ev, S.B.; Kuz'micheva, G.M.

    1990-01-01

    State of rare earth impurities in indium and gallium antimonides was studied. Results of measuring density and lattice parameter of samples in GaSb-rare earth and InSb-rare earth systems are presented. It is shown that during rare earth dissolution in indium and gallium antimonides rare earth atoms occupy interstitial positions or, at least, are displaced from lattice points

  15. Control of oxygen impurity and hydrogen recycling in the compact helical system (CHS)

    International Nuclear Information System (INIS)

    Noda, N.; Okamura, S.; Aoki, T.; Yamada, H.; Tsuzuki, K.; Matsuoka, K.; Iguchi, H.; Hosokawa, M.; Kaneko, O.; Kubo, S.; Morita, S.; Nishimura, K.; Sagara, A.; Shoji, T.; Takahashi, C.; Takeiri, Y.; Takita, Y.; Amemiya, H.; Okazaki, K.; Oyama, Y.; Shimizu, K.; Yano, K.

    1990-01-01

    In order to reduce oxygen impurity and hydrogen recycling, ECR discharge cleaning with hydrogen, glow discharge with helium, and titanium gettering have been applied. The ECR discharge cleaning was found to be effective in reducing oxygen impurities in ECRH discharges. However, it was not sufficiently effective to give a wide operational density range in NBI heated discharges. Titanium gettering is essential for this purpose, and controllable discharges have been achieved in the density range 1-10x10 19 m -3 , with discharge length more than 850 ms with the aid of titanium gettering. Both helium-glow discharge and Ti gettering are useful to control hydrogen recycling even with a stainless steel wall. (orig.)

  16. Hydrogen impurity in SrTiO3: structure, electronic properties and migration

    International Nuclear Information System (INIS)

    Villamagua, Luis; Barreto, Rafael; Procel, Luis Miguel; Stashans, Arvids

    2007-01-01

    The present paper reports a computational investigation of the geometry and electronic structure as well as the migration of a hydrogen impurity in the cubic SrTiO 3 crystal. The study is done using an approach based on the Hartree-Fock theory and developed for periodic systems. It is found that the H impurity forms the so-called OH group at the equilibrium. Analysis of electron density within the defective region implies the enhancement in covalent chemical bonding. A possible defect migration has been also investigated

  17. Hydrogen impurity in SrTiO{sub 3}: structure, electronic properties and migration

    Energy Technology Data Exchange (ETDEWEB)

    Villamagua, Luis [Grupo de Fisica de Cristales, Escuela de Electronica y Telecomunicaciones, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Barreto, Rafael [Facultad de IngenierIa Civil, Escuela Politecnica Nacional, Apartado 14-01-2759, Quito (Ecuador); Procel, Luis Miguel [Departamento de Quimica, Colegio Politecnico, Universidad San Francisco de Quito, Apartado 17-12-841, Quito (Ecuador); Stashans, Arvids [Grupo de Fisica de Cristales, Escuela de Electronica y Telecomunicaciones, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)

    2007-03-15

    The present paper reports a computational investigation of the geometry and electronic structure as well as the migration of a hydrogen impurity in the cubic SrTiO{sub 3} crystal. The study is done using an approach based on the Hartree-Fock theory and developed for periodic systems. It is found that the H impurity forms the so-called OH group at the equilibrium. Analysis of electron density within the defective region implies the enhancement in covalent chemical bonding. A possible defect migration has been also investigated.

  18. Recovery of hydrogen from impurities using a palladium membrane reactor

    International Nuclear Information System (INIS)

    Willms, R.S.; Okuno, K.

    1993-01-01

    One of the important steps in processing the exhaust from a fusion reactor is recovering tritium which is incorporated into molecules such as water and methane. One device which may prove to be very effective for this purpose is a palladium membrane reactor. This is a reactor which incorporates a Pd/Ag membrane in the reactor geometry. Reactions such as water gas shift, steam reforming and methane cracking can be carried out over the reactor catalyst, and the product hydrogen can be simultaneously removed from the reacting mixture. Because product is removed, greater than usual conversions can be obtained. In addition ultrapure hydrogen is produced, eliminating the need for an additional processing step. A palladium membrane reactor has been built and tested with three different catalysts. Initial results with a Ni-based catalyst show that it is very effective at promoting all three reactions listed above. Under the proper conditions, hydrogen recoveries approaching 100% have been observed. This study serves to experimentally validate the palladium membrane reactor as potentially important tool for fusion fuel processing

  19. Spectrographic determination of impurities in ammonium hydrogen fluoride samples

    International Nuclear Information System (INIS)

    Roca, M.; Capdevila, C.; Alduan, F.A.

    1976-01-01

    The quantitative spectrographic trace determination of Al, B, Cr, Cu, Fe, Mn, Mo, Ni, Pb and Si in ammonium hydrogen fluoride samples is considered. 10 A dc arc excitation and graphite electrodes with crate either 4.5 mm or 8 mm deep are employed. A comparison of various matrices such as graphite, gallium oxide, germanium oxide, magnesium oxide and zinc oxide, in the ratios 1:1 and 1:3, as well as a mixture 50% graphite - 50% zinc oxide in the ratio 1:1 is included. Zinc oxide in the ratio 1:1 and 4x8 mm craters show the best over-all results. (author)

  20. Effects of impurities on hydrogen permeability through palladium alloy membrane at comparatively high pressure and temperature

    International Nuclear Information System (INIS)

    Yoshida, Hiroshi; Konishi, Satoshi; Katsuta, Hiroji; Naruse, Yuji

    1982-02-01

    Palladium alloy membrane method is considered to be a useful technique for fusion reactor fuel purification process. To study the feasibility of this method, the effects of impurities on permeation characteristics of palladium alloy membrane were examined. Experiments were carried out at practical conditions: pressure; 120 - 1200 kPa, temperature; about 700 K. No poisoning effect on hydrogen permeability of commercial Pd-Ag (Au.Ru) alloy was observed for impurities such as NH 3 , CH 4 , CO, CO 2 , O 2 and N 2 , which were mixed with hyper-pure H 2 at low concentration level (10 - 10000 ppm). Deterioration occurred by contamination with oil vapor. However, regeneration of the membrane was easily performed by air baking followed by hydrogen reduction. Chemical reactions in the permeation cell were also examined. (author)

  1. Linear and nonlinear optical properties of multilayered spherical quantum dots: Effects of geometrical size, hydrogenic impurity, hydrostatic pressure and temperature

    International Nuclear Information System (INIS)

    Karimi, M.J.; Rezaei, G.; Nazari, M.

    2014-01-01

    Based on the effective mass and parabolic one band approximations, simultaneous effects of the geometrical size, hydrogenic impurity, hydrostatic pressure, and temperature on the intersubband optical absorption coefficients and refractive index changes in multilayered spherical quantum dots are studied. Energy eigenvalues and eigenvectors are calculated using the fourth-order Runge–Kutta method and optical properties are obtained using the compact density matrix approach. The results indicate that the hydrogenic impurity, hydrostatic pressure, temperature and geometrical parameters such as the well and barrier widths have a great influence on the linear, the third-order nonlinear and the total optical absorption coefficients and refractive index changes. -- Highlights: • Hydrogenic impurity effects on the optical properties of a MSQD are investigated. • Hydrostatic pressure and temperature effects are also studied. • Hydrogenic impurity has a great influence on the linear and nonlinear ACs and RICs. • Hydrostatic pressure and temperature change the linear and nonlinear ACs and RICs

  2. The solubility of hydrogen and deuterium in alloyed, unalloyed and impure plutonium metal

    Energy Technology Data Exchange (ETDEWEB)

    Richmond, Scott [Los Alamos National Laboratory; Bridgewater, Jon S [Los Alamos National Laboratory; Ward, John W [Los Alamos National Laboratory; Allen, Thomas A [Los Alamos National Laboratory

    2009-01-01

    Pressure-Composition-Temperature (PCT) data are presented for the plutonium-hydrogen (Pu-H) and plutonium-deuterium (Pu-D) systems in the solubility region up to terminal solubility (precipitation of PuH{sub 2}). The heats of solution for PuH{sub s} and PuD{sub s} are determined from PCT data in the ranges 350-625 C for gallium alloyed Pu and 400-575 C for unalloyed Pu. The solubility of high purity plutonium alloyed with 2 at.% gallium is compared to high purity unalloyed plutonium. Significant differences are found in hydrogen solubility for unalloyed Pu versus gallium alloyed Pu. Differences in hydrogen solubility due to an apparent phase change are observable in the alloyed and unalloyed solubilities. The effect of iron impurities on Pu-Ga alloyed Pu is shown via hydrogen solubility data as preventing complete homogenization.

  3. The solubility of hydrogen and deuterium in alloyed, unalloyed and impure plutonium metal

    International Nuclear Information System (INIS)

    Richmond, S; Bridgewater, J S; Ward, J W; Allen, T H

    2010-01-01

    Pressure-Composition-Temperature (PCT) data are presented for the plutonium-hydrogen (Pu-H) and plutonium-deuterium (Pu-D) systems in the solubility region up to terminal solubility (precipitation of PuH 2 ). The heats of solution for PuH S and PuD S are determined from PCT data in the ranges 350-625 deg. C for gallium alloyed Pu and 400-575 deg. C for unalloyed Pu. The solubility of high purity plutonium alloyed with 2 at.% gallium is compared to high purity unalloyed plutonium. Significant differences are found in hydrogen solubility for unalloyed Pu versus gallium alloyed Pu. Differences in hydrogen solubility due to an apparent phase change are observable in the alloyed and unalloyed solubilities. The effect of iron impurities on Pu-Ga alloyed Pu is shown via hydrogen solubility data as preventing complete homogenization.

  4. Resonant States in High-Temperature Superconductors with Impurities

    CERN Document Server

    Kovacevic, Z L; Hayn, R

    2002-01-01

    A microscopic theory of resonant states for the Zn-doped CuO_2 plane in superconducting phase is formulated within the effective t-J model. In the model derived from the original p-d model Zn impurities are considered as vacancies for the d states on Cu sites. In the superconducting phase in addition to the local static perturbation induced by the vacancy a dynamical perturbation appears which results in frequency-dependent perturbation matrix. By employing the T-matrix formalism for the Green functions in terms of the Hubbard operators the local density of electronic states with d-, p- and s-symmetry is calculated.

  5. Density of Electronic States in Impurity-Doped Quantum Well Wires

    Science.gov (United States)

    Sierra-Ortega, J.; Mikhailov, I. D.

    2003-03-01

    We analyze the electronic states in a cylindrical quantum well-wire (QWW) with randomly distributed neutral, D^0 and negatively charged D^- donors. In order to calculate the ground state energies of the off-center donors D^0 and D^- as a function of the distance from the axis of the QWW, we use the recently developed fractal dimension method [1]. There the problems are reduced to those similar for a hydrogen-like atom and a negative-hydrogen-like ion respectively, in an isotropic effective space with variable fractional dimension. The numerical trigonometric sweep method [2] and the three-parameter Hylleraas-type trial function are used to solve these problems. Novel curves for the density of impurity states in cylindrical QWWs with square-well, parabolic and soft-edge barrier potentials are present. Additionally we analyze the effect of the repulsive core on the density of the impurity states. [1] I.D. Mikhailov, F. J. Betancur, R. Escorcia and J. Sierra-Ortega, Phys. Stat. Sol., 234(b), 590 (2002) [2] F. J. Betancur, I. D. Mikhailov and L. E. Oliveira, J. Appl. Phys. D, 31, 3391(1998)

  6. Impurity-induced tuning of quantum-well States in spin-dependent resonant tunneling.

    Science.gov (United States)

    Kalitsov, Alan; Coho, A; Kioussis, Nicholas; Vedyayev, Anatoly; Chshiev, M; Granovsky, A

    2004-07-23

    We report exact model calculations of the spin-dependent tunneling in double magnetic tunnel junctions in the presence of impurities in the well. We show that the impurity can tune selectively the spin channels giving rise to a wide variety of interesting and novel transport phenomena. The tunneling magnetoresistance, the spin polarization, and the local current can be dramatically enhanced or suppressed by impurities. The underlying mechanism is the impurity-induced shift of the quantum well states (QWSs), which depends on the impurity potential, impurity position, and the symmetry of the QWS. Copyright 2004 The American Physical Society

  7. Lowest excited-state impurity binding energy in InGaN/GaN parabolic QWW: magnetic field effect

    International Nuclear Information System (INIS)

    Haddou El Ghazi; Anouar Jorio; Izeddine Zorkani

    2013-01-01

    In this paper, we have investigated the magnetic field effect on the lowest excited-state binding energy of hydrogenic shallow-donor impurity in wurtzite (In,Ga)N/GaN parabolic transversal-section quantum-well wire (PQWW) using the finite-difference method within the quasi-one-dimensional effective potential model. The calculations are performed within the framework of the effective mass approximation. A cylindrical QWW effective radius is taken into account to describe the lateral confinement strength. The numerical results show that: (i) the probability density is the largest on a circularity whose radius is the effective radius and (ii) the lowest excited-state binding energy is the largest when an impurity is located on this circularity while it starts to decrease as the impurity is away from the circularity. (author)

  8. Electron density of states in a one-dimensional distorted system with impurities: Coherent potential approximation

    International Nuclear Information System (INIS)

    Bulka, B.R.

    1982-04-01

    A tight-binding one-dimensional distorted system with impurities is considered and the electron density of states is calculated in the coherent potential approximation. It is shown that two types of impurities, an impurity built in a chain and a domain wall (a soliton), play the essential role and a drastic reduction of the energy gap is observed for a few per cent of impurities. The experimental situation in polyacetylene is also discussed. (author)

  9. Circular states of atomic hydrogen

    International Nuclear Information System (INIS)

    Lutwak, R.; Holley, J.; Chang, P.P.; Paine, S.; Kleppner, D.; Ducas, T.

    1997-01-01

    We describe the creation of circular states of hydrogen by adiabatic transfer of a Rydberg state in crossed electric and magnetic fields, and also by adiabatic passage in a rotating microwave field. The latter method permits rapid switching between the two circular states of a given n manifold. The two methods are demonstrated experimentally, and results are presented of an analysis of the field ionization properties of the circular states. An application for the circular states is illustrated by millimeter-wave resonance in hydrogen of the n=29→n=30 transition. copyright 1997 The American Physical Society

  10. Chromatographic measurement of hydrogen isotopic and permanent gas impurities in tritium

    International Nuclear Information System (INIS)

    Warner, D.K.; Kinard, C.; Bohl, D.C.

    1976-01-01

    This paper describes a gas chromatograph that was designed for dedicated analysis of hydrogen isotopic and permanent gas impurities in tritium and tritium-deuterium mixtures. The instrument that was developed substantially improved the accuracy and precision of hydrogen isotopic analysis in the 20 ppM to one mole percent range as compared with other analytical methods. Several unique design features of the instrument were required due to the radiation and isotopic exchange properties of the tritium in the samples; descriptions of these features are presented along with details of the complete chromatographic system. The experimental procedures used to calibrate the detector and statistically evaluate its performance are given, and the sources of analytical error are cited. The limitations of the present system are also discussed

  11. Nonmagnetic impurity in the spin-gap state

    International Nuclear Information System (INIS)

    Nagaosa, N.; Ng, T.

    1995-01-01

    The effects of nonmagnetic strong scatterers (unitary limit) on magnetic and transport properties are studied for resonating-valence-bond states in both the slave-boson and slave-fermion mean-field theories with the gap for the triplet excitations. In the d-wave pairing state of the slave-boson mean-field theory in two dimensions, there is no true gap for spinons, but the Anderson localization occurs, which leads to the local moment when the repulsive interaction is taken into account. In the slave-fermion mean-field theory, local moments are found bound to nonmagnetic impurities as a result of (staggered) gauge interaction. However, in both theories, localization of spinon does not appear in the resistivity, which shows the classical value for the holon

  12. The impact of hydrogen and oxidizing impurities in chemical vapor deposition of graphene on copper

    Science.gov (United States)

    Choubak, Saman

    Graphene, the single-atom layer of carbon, has attracted scientists and technologists due to its outstanding physical and opto/electronic properties. The use of graphene in practical applications requires a reliable and cost-effective method to produce large area graphene films with low defects and controlled thicknesses. Direct growth of graphene using chemical vapor deposition (CVD) on copper, in which carbonaceous gaseous species react with the metal substrate in the presence of hydrogen at high temperatures (850-1100° C), led to high coverage of high quality graphene, opening up a promising future for methods of this type and a large step towards commercial realization of graphene products. The present thesis deals with the synthesis of graphene via low pressure CVD (LP-CVD) on copper catalyst using methane as the carbon precursor. The focus is mainly on the determination of the role of hydrogen and oxidizing impurities during graphene formation with an ultimate purpose: to elucidate a viable and reproducible method for the production of high quality graphene films compatible with industrial manufacturing processes. The role of molecular hydrogen in graphene CVD is explored in the first part of the thesis. Few studies claimed that molecular hydrogen etches graphene films on copper by conducting annealing experiments. On the other hand, we speculated that this graphene etching reaction is due to the presence of trace amount of oxygen in the furnace atmosphere. Thus, we took another approach and designed systematic annealing experiments to investigate the role of hydrogen in the etching reaction of graphene on copper foils. No evidence of graphene etching on copper was observed when purified ultra high purity (UHP) hydrogen was used at 825 °C and 500 mTorr. Nevertheless, graphene films exposed to the unpurified UHP hydrogen were etched due to the presence of oxidizing impurities. Our results show that hydrogen is not responsible for graphene etching reaction

  13. External electric field effect on the binding energy of a hydrogenic donor impurity in InGaAsP/InP concentric double quantum rings

    Science.gov (United States)

    Hu, Min; Wang, Hailong; Gong, Qian; Wang, Shumin

    2018-04-01

    Within the framework of effective-mass envelope-function theory, the ground state binding energy of a hydrogenic donor impurity is calculated in the InGaAsP/InP concentric double quantum rings (CDQRs) using the plane wave method. The effects of geometry, impurity position, external electric field and alloy composition on binding energy are considered. It is shown that the peak value of the binding energy appears in two rings with large gap as the donor impurity moves along the radial direction. The binding energy reaches the peak value at the center of ring height when the donor impurity moves along the axial direction. The binding energy shows nonlinear variation with the increase of ring height. With the external electric field applied along the z-axis, the binding energy of the donor impurity located at zi ≥ 0 decreases while that located at zi < 0 increases. In addition, the binding energy decreases with increasing Ga composition, but increases with the increasing As composition.

  14. Contribution to the study of hydrogenated and oxygenated impurities in liquid sodium

    International Nuclear Information System (INIS)

    Naud, G.

    1964-07-01

    This study is made up essentially of two parts. The first is devoted to the development of dosage methods for selectively determining the oxygenated and hydrogenated impurities present in sodium, that is the oxide, the hydride and the hydroxide. The second makes use of these methods for a study of the Na-H 2 -O 2 system, as well as of the related problem of the attack of pyrex glass by molten sodium. The conventional method for dosing oxygen by amalgamation was first adapted to the simultaneous measurement of the hydride. We then developed a method for dosing the total hydrogen by measuring successively the concentrations of gas present in the hydride and hydroxide form. This method is based on the thermal decomposition of the hydride and the reaction between sodium and the hydroxide. Our contribution to the study of the Na-H 2 -O 2 System consists first of all in the study of the reaction between hydrogen and sodium in the temperature range from 150 to 250 deg C and at a pressure of about 150 mm of mercury. The study of the thermal decomposition of the hydride in sodium was then studied. It was possible to make some qualitative observations concerning the reaction between sodium and sodium hydroxide. Finally some complementary tests made it possible to define the nature of the phenomena occurring during the attack of pyrex glass by sodium. (author) [fr

  15. Effect of biogenic fermentation impurities on lactic acid hydrogenation to propylene glycol.

    Science.gov (United States)

    Zhang, Zhigang; Jackson, James E; Miller, Dennis J

    2008-09-01

    The effect of residual impurities from glucose fermentation to lactic acid (LA) on subsequent ruthenium-catalyzed hydrogenation of LA to propylene glycol (PG) is examined. Whereas refined LA feed exhibits stable conversion to PG over carbon-supported ruthenium catalyst in a trickle bed reactor, partially refined LA from fermentation shows a steep decline in PG production over short (<40 h) reaction times followed by a further slow decay in performance. Addition of model impurities to refined LA has varying effects: organic acids, sugars, or inorganic salts have little effect on conversion; alanine, a model amino acid, results in a strong but reversible decline in conversion via competitive adsorption between alanine and LA on the Ru surface. The sulfur-containing amino acids cysteine and methionine irreversibly poison the catalyst for LA conversion. Addition of 0.1 wt% albumin as a model protein leads to slow decline in rate, consistent with pore plugging or combined pore plugging and poisoning of the Ru surface. This study points to the need for integrated design and operation of biological processes and chemical processes in the biorefinery in order to make efficient conversion schemes viable.

  16. Hydrostatic pressure effects on impurity states in InAs/GaAs quantum dot

    International Nuclear Information System (INIS)

    Xia Congxin; Liu Yaming; Wei Shuyi

    2008-01-01

    Within the framework of effective-mass approximation, the hydrostatic pressure effects on the donor binding energy of a hydrogenic impurity in InAs/GaAs self-assembled quantum dot(QD) are investigated by means of a variational method. Numerical results show that the donor binding energy increases when the hydrostatic pressure increases for any impurity position and QD size. Moreover, the hydrostatic pressure has a remarkable influence on the donor binding energy for small QD. Realistic cases, including the impurity in the QD and the surrounding barrier, are considered

  17. Recombination rates of hydrogen and oxygen over pure and impure plutonium oxides

    International Nuclear Information System (INIS)

    Morales, L.

    1999-01-01

    Long-term, safe storage of excess plutonium-bearing materials is required until stabilization and disposal methods are implemented or defined. The US Department of Energy (DOE) has established a plan to address the stabilization, packing, and storage of plutonium-bearing materials from around the complex. The DOE's standard method, DOE-STD-3013-96 and its proposed revision, for stabilizing pure and impure actinide materials is by calcination in air followed by sealing the material in welded stainless steel containers. The 3013 standard contains and equation that predicts the total pressure buildup in the can over the anticipated storage time of 50 yr. This equation was meant to model a worst-case scenario to ensure that pressures would not exceed the strength of the container at the end of 50 yr. As a result, concerns about pressure generation in the storage cans, both absolute values and rates, have been raised with regard to rupture and dispersal of nuclear materials. Similar issues have been raised about the transportation of these materials around the complex. The purpose of this work is to provide a stronger technical basis for the 3013 standard by measuring the recombination rates of hydrogen/oxygen mixtures in contact with pure and impure plutonium oxides. The goal of these experiments was to determine whether the rate of recombination is faster than the rate of water radiolysis under controlled conditions. This was accomplished by using a calibrated pressure-volume-temperature apparatus to measure the recombination rates in a fixed volume as the gas mixture was brought into contact with oxide powders whose temperatures ranged from 50 to 300 C. These conditions were selected in order to bracket the temperature conditions expected in a typical storage can. In addition, a 2% H 2 /air mixture encompasses scenarios in which the cans are sealed in air, and over time various amounts of hydrogen are formed

  18. Electron-beam-induced current study of hydrogen passivation on grain boundaries in multicrystalline silicon: Influence of GB character and impurity contamination

    International Nuclear Information System (INIS)

    Chen Jun; Yang Deren; Xi Zhenqiang; Sekiguchi, Takashi

    2005-01-01

    The impacts of grain boundary (GB) character and impurity contamination level on the hydrogen passivation of GBs in multicrystalline silicon (mc-Si) were studied by means of an electron-beam-induced current (EBIC) technique. In mc-Si with a low contamination of Fe, the 300K EBIC contrast of all kinds of GBs in the H-passivated state was weak and similar to that in the as-grown state. The 100K EBIC contrast of Σ (Σ=3, 9, and 27) GBs decreased about 75-80%, whereas that of random and small-angle GBs decreased about 35-40%. Due to the different impurity gettering ability of different GBs, the variation in 100K EBIC contrast has suggested that the effect of H-passivation depends on both the GB character and impurity contamination level. In the mc-Si with heavy contamination of Fe, at both 300 and 100K, the EBIC contrast of both Σ (Σ=3) and random GBs decreased but the ratio was <40%, suggesting that the H-passivation is mainly affected by the impurity contamination level. on

  19. The role of impurities on the process of growing potassium hydrogen phthalate crystals from solution; A quantitative approach

    Science.gov (United States)

    Hottenhuis, M. H. J.; Lucasius, C. B.

    1988-09-01

    Quantitative information about the influence of impurities on the crystal growth process of potassium hydrogen phthalate from its aqueous solution was obtained at two levels: microscopic and macroscopic. At the microscopic level, detailed in situ observations of spiral steps at the (010) face were performed. The velocity of these steps was measured, as well in a "clean" as in a contaminated solution, where the influence of a number of different impurities was investigated. This resulted in a measure of effectiveness of step retardation for each of these impurities. From the same microscopic observations it was observed how these effectiveness factors were influenced by the supersaturation σ, the saturation temperature Ts of the solution and the concentration cimp of the impurity that w as used. At the macroscopic level, ICP (inductively coupled plasma) measurements were carried out in order to determine the distribution coefficient of the same impurities. In these measurements again the influence of the impurity concentration and the supersaturation on the distribution coefficient kD was determined.

  20. Spectral flow of trimer states of two heavy impurities and one light condensed boson

    DEFF Research Database (Denmark)

    Zinner, Nikolaj Thomas

    2014-01-01

    The spectral flow of three-body (trimer) states consisting of two heavy (impurity) particles sitting in a condensate of light bosons is considered. Assuming that the condensate is weakly interaction and that an impurity and a boson have a zero-range two-body interaction, we use the Born...

  1. Impurity states in two-and three-dimensional disordered systems

    International Nuclear Information System (INIS)

    Silva, A.F. da; Fabbri, M.

    1984-04-01

    The microscopic structure of the impurity states in two-and three-dimensional (2D and 3D) disordered systems is investigated. A cluster model is outlined for the donor impurity density of states (DIDS) of doped semiconductors. It is shown that the impurity states are very sensitive to a change in the dimensionality of the system, i.e., from 3D to 2D system. It is found that all eigenstates become localized in 2D disordered system for a large range of concentration. (Author) [pt

  2. Dynamic conductivity modified by impurity resonant states in doping three-dimensional Dirac semimetals

    Science.gov (United States)

    Li, Shuai; Wang, Chen; Zheng, Shi-Han; Wang, Rui-Qiang; Li, Jun; Yang, Mou

    2018-04-01

    The impurity effect is studied in three-dimensional Dirac semimetals in the framework of a T-matrix method to consider the multiple scattering events of Dirac electrons off impurities. It has been found that a strong impurity potential can significantly restructure the energy dispersion and the density of states of Dirac electrons. An impurity-induced resonant state emerges and significantly modifies the pristine optical response. It is shown that the impurity state disturbs the common longitudinal optical conductivity by creating either an optical conductivity peak or double absorption jumps, depending on the relative position of the impurity band and the Fermi level. More importantly, these conductivity features appear in the forbidden region between the Drude and interband transition, completely or partially filling the Pauli block region of optical response. The underlying physics is that the appearance of resonance states as well as the broadening of the bands leads to a more complicated selection rule for the optical transitions, making it possible to excite new electron-hole pairs in the forbidden region. These features in optical conductivity provide valuable information to understand the impurity behaviors in 3D Dirac materials.

  3. Influence of hydrogen impurities on p-type resistivity in Mg-doped GaN films

    International Nuclear Information System (INIS)

    Yang, Jing; Zhao, Degang; Jiang, Desheng; Chen, Ping; Zhu, Jianjun; Liu, Zongshun; Le, Lingcong; He, Xiaoguang; Li, Xiaojing; Zhang, Y. T.; Du, G. T.

    2015-01-01

    The effects of hydrogen impurities on p-type resistivity in Mg-doped GaN films were investigated. It was found that hydrogen impurities may have the dual role of passivating Mg Ga acceptors and passivating donor defects. A decrease in p-type resistivity when O 2 is introduced during the postannealing process is attributed to the fact that annealing in an O 2 -containing environment can enhance the dissociation of Mg Ga -H complexes as well as the outdiffusion of H atoms from p-GaN films. However, low H concentrations are not necessarily beneficial in Mg-doped GaN films, as H atoms may also be bound at donor species and passivate them, leading to the positive effect of reduced compensation

  4. Defect engineering: reduction effect of hydrogen atom impurities in HfO2-based resistive-switching memory devices

    International Nuclear Information System (INIS)

    Kim, Seonghyun; Park, Jubong; Jung, Seungjae; Lee, Wootae; Shin, Jungho; Hwang, Hyunsang; Lee, Daeseok; Woo, Jiyong; Choi, Godeuni

    2012-01-01

    In this study, we propose a new and effective methodology for improving the resistive-switching performance of memory devices by high-pressure hydrogen annealing under ambient conditions. The reduction effect results in the uniform creation of oxygen vacancies that in turn enable forming-free operation and afford uniform switching characteristics. In addition, H + and mobile hydroxyl (OH − ) ions are generated, and these induce fast switching operation due to the higher mobility compared to oxygen ions. Defect engineering, specifically, the introduction of hydrogen atom impurities, improves the device performance for metal–oxide-based resistive-switching random access memory devices. (paper)

  5. Binding energy of impurity states in an inverse parabolic quantum well under magnetic field

    International Nuclear Information System (INIS)

    Kasapoglu, E.; Sari, H.; Soekmen, I.

    2007-01-01

    We have investigated the effects of the magnetic field which is directed perpendicular to the well on the binding energy of the hydrogenic impurities in an inverse parabolic quantum well (IPQW) with different widths as well as different Al concentrations at the well center. The Al concentration at the barriers was always x max =0.3. The calculations were performed within the effective mass approximation, using a variational method. We observe that IPQW structure turns into parabolic quantum well with the inversion effect of the magnetic field and donor impurity binding energy in IPQW strongly depends on the magnetic field, Al concentration at the well center and well dimensions

  6. Protonic conduction of hydrogen impurities in K2OsCl6

    International Nuclear Information System (INIS)

    Willemsen, H.W.; Armstrong, R.L.; Meincke, P.P.M.

    1979-01-01

    Dielectric measurements as a function of temperature and frequency in single crystal K 2 OsCl 6 with defects containing protons are reported. The results are consistent with a model which assumes the defect state to be a simple interstitial proton which is hydrogen bonded to the nearest neighbor chlorine ions. Temperatures greater than 180 K shows that proton diffusion is thermally activated with a mobility of 10 -2 cm 2 /V-sec whereas below this temperature it is determined by quantum tunneling between localized states

  7. Binding energy and optical properties of an off-center hydrogenic donor impurity in a spherical quantum dot placed at the center of a cylindrical nano-wire

    International Nuclear Information System (INIS)

    Safarpour, Gh.; Barati, M.; Zamani, A.; Niknam, E.

    2014-01-01

    The binding energy as well as the linear, third-order nonlinear and total optical absorption coefficient and refractive index changes of an off-center hydrogenic donor impurity in an InAs spherical quantum dot placed at the center of a GaAs cylindrical nano-wire have been investigated. In this regard, the effective-mass approximation approach is considered and eigenvalues and corresponding eigenfunctions are calculated via the finite element method. The binding energy is plotted as a function of the dot size and impurity position along with optical properties as a function of photon energy. In this study two different directions have been considered for impurity position, along the nano-wire axis and perpendicular to it. It has been found that the binding energy, absorption coefficient and refractive index changes are impressively affected not only by the dot radius but also by the position of the impurity and its direction. Additionally, the optical saturation can be tuned by the direction of the impurity and incident optical intensity. -- Highlights: • We consider spherical quantum dot located at the center of a cylindrical nano-wire. • An off-center hydrogenic donor impurity is considered in the system. • Binding energy is affected by orientation of impurity and its distance from center. • Saturation depends on the orientation of impurity position. • By shifting impurity position, orientation and dot radius blue- and red-shifts appear

  8. Hydrogenic impurity binding energy in vertically coupled Ga1-xAlxAs quantum-dots under hydrostatic pressure and applied electric field

    International Nuclear Information System (INIS)

    Duque, C.M.; Barseghyan, M.G.; Duque, C.A.

    2009-01-01

    This work deals with a theoretical study, using a variational method and the effective mass approximation, of the ground state binding energy of a hydrogenic donor impurity in a vertically coupled multiple quantum dot structure under the effects of hydrostatic pressure and in-growth direction applied electric field. The low dimensional structure consists of three cylindrical shaped GaAs quantum dots coupled by Ga 1-x Al x As barriers. For the hydrostatic pressure has been considered the Γ-X crossover in the Ga 1-x Al x As material. As a general, the results show that: (1) the binding energy as a function of the impurity position has a similar shape to that shown by the electron wave function without the Coulomb interaction, (2) the presence of the electric field changes dramatically the binding energy profile destroying (favoring) the symmetry in the structures, and (3) depending on the impurity position the binding energy can increase or decrease with the hydrostatic pressure mainly due to increases or decreases of the carrier-wave function symmetry by changing the height of the potential barrier.

  9. Hydrogenic-Donor Impurity Binding Energy Dependence of the Electric Field in GaAs/AlxGa1−xAs Quantum Rings

    Directory of Open Access Journals (Sweden)

    Guangxin Wang

    2013-01-01

    Full Text Available Using a variational method with two-parameter trial wave function and the effective mass approximation, the binding energy of a donor impurity in GaAs/AlxGa1−xAs cylindrical quantum ring (QR subjected to an external field is calculated. It is shown that the donor impurity binding energy is highly dependent on the QR structure parameters (radial thickness and height, impurity position, and external electric field. The binding energy increases inchmeal as the QR parameters (radial thickness and height decrease until a maximum value for a central impurity and then begins to drop quickly. The applied electric field can significantly modify the spread of electronic wave function in the QR and shift electronic wave function from the donor position and then leads to binding energy changes. In addition, results for the binding energies of a hydrogenic donor impurity as functions of the impurity position and applied electric field are also presented.

  10. Non Intrrusive, On-line, Simultaneous Multi-Species Impurity Monitor in Hydrogen, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — The purity of hydrogen fuel is important in engine testing at SSC. The hydrogen may become contaminated with nitrogen, argon, or oxygen. The hydrogen from the fuel...

  11. Non Intrrusive, On-line, Simultaneous Multi-Species Impurity Monitor in Hydrogen, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — The purity of hydrogen fuel is important in engine testing at SSC. The hydrogen may become contaminated with nitrogen, argon, helium or oxygen. The hydrogen from the...

  12. Hydrogen production from raw bioethanol steam reforming: optimization of catalyst composition with improved stability against various impurities

    International Nuclear Information System (INIS)

    Le Valant, A.; Can, F.; Bion, N.; Epron, F.; Duprez, D.

    2009-01-01

    Usually, ethanol steam reforming is performed using pure ethanol, whereas the use of raw bioethanol is of major importance for a cost effective industrial application. Raw bioethanol contains higher alcohols as the main impurities and also aldehydes, amines, acids and esters. The effect of these impurities on the catalytic performances for ethanol steam reforming (ESR) has been studied, using a reference catalyst, Rh/MgAl 2 O 4 . It was shown that the aldehyde, the amine and methanol has no negative effect on the catalytic performances, contrary to the ester, acid and higher alcohols. The deactivation is mainly explained by coke formation favored by the presence of these impurities in the feed. In order to improve the stability of the catalyst and its performances in the presence of these deactivating impurities, the catalyst formulation, i.e. the composition of the support and of the metallic phase, was modified. The addition of rare earth elements instead of magnesium to the alumina support leads to a decrease of the strong and medium acid sites and to an increase of the basicity. On these modified supports, the dehydration reaction, leading to olefins, which are coke precursors, is disfavored, the ethanol conversion and the hydrogen yield are increased. The best catalytic performances were obtained with Rh/Y-Al 2 O 3 . Then, the metallic phase was also modified by adding a second metal (Ni, Pt or Pd). The Rh-Ni/Y-Al 2 O 3 catalyst leads to the highest hydrogen yield. This catalyst, tested in the presence of raw bioethanol during 24h was very stable compared to the reference catalyst Rh/MgAl 2 O 4 , which was strongly deactivated after 2h of time-on-stream. (author)

  13. Quasibound states and transport characteristics of Au chains with a substitutional S impurity

    International Nuclear Information System (INIS)

    Wawrzyniak-Adamczewska, M; Kostyrko, T

    2013-01-01

    Electronic transport properties of short gold atom chains with a single sulfur impurity were studied using density functional theory. It is found that the role of the impurity atom in the transport properties is twofold. First, it acts as a scattering center in the dominating 6s-orbital transmission channel and generally leads to a decrease of the transmission function in a wide energy region around the Fermi level. Second, it gives rise to a quasibound state manifesting as a peak near the Fermi level both in the partial density of states as well as in the transmission function. Because of the hybridization of the sulfur 3p and gold 5d orbitals in its formation, the quasibound state moves locally upward in the gold 5d transmission channel and brings about an enhancement of the transmission function in a narrow energy region near the Fermi level. The height of the peak of the quasibound state in the transmission function depends significantly on the position of the impurity in the chain and its energy varies with the bias voltage. The current–voltage (I–V) characteristics become asymmetric with a departure of the impurity from the central position in the chain and they are nonlinear for small values of the voltage (V < 0.1 V). It is proposed that a careful analysis of the I–V characteristics or the voltage dependence of the differential conductance may be used for unambiguous location of the light impurity in experiments with gold chains. (paper)

  14. Donor impurity states and related terahertz range nonlinear optical response in GaN cylindrical quantum wires: Effects of external electric and magnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Correa, J. D. [Departamento de Ciencias Básicas, Universidad de Medellín, Medellín (Colombia); Mora-Ramos, M. E., E-mail: memora@uaem.mx [Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, CP 62209 Cuernavaca, Morelos (Mexico); Duque, C. A. [Grupo de Materia Condensada-UdeA, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín (Colombia)

    2014-06-07

    We report a study on the optical absorption coefficient associated to hydrogenic impurity interstate transitions in zinc-blende GaN quantum wires of cylindrical shape taking into account the effects of externally applied static electric and magnetic fields. The electron states emerge within the effective mass approximation, via the exact diagonalization of the donor-impurity Hamiltonian with parabolic confinement and external field effects. The nonlinear optical absorption is calculated using a recently derived expression for the dielectric susceptibility, obtained via a nonperturbative solution of the density-matrix Bloch equation. Our results show that this treatment eliminates not only the intensity-dependent bleaching effect but also the change in sign of the nonlinear contribution due to the combined effect of asymmetric impurity location and the applied electric field.

  15. Efimov States of Heavy Impurities in a Bose-Einstein Condensate

    DEFF Research Database (Denmark)

    Zinner, Nikolaj Thomas

    2013-01-01

    We consider the problem of two heavy impurity particles embedded in a gas of weakly-interacting light mass bosonic particles in the condensed state. Using the Bogoliubov approach to describe the bosonic gas and the Born-Oppenheimer approximation for the three-body dynamics, we calculate the modif......We consider the problem of two heavy impurity particles embedded in a gas of weakly-interacting light mass bosonic particles in the condensed state. Using the Bogoliubov approach to describe the bosonic gas and the Born-Oppenheimer approximation for the three-body dynamics, we calculate...... the modification to the heavy-heavy two-body potential due to the presence of the condensate. For the case of resonant interaction between the light bosons and the impurities, we present (semi)-analytical results for the potential in the limit of a large condensate coherence length. In particular, we find...

  16. Phase transition of DNA-linked gold nanoparticles: Creation of a high concentration of atomic hydrogen in impurity-helium solids

    International Nuclear Information System (INIS)

    Kiselev, S.I.; Khmelenko, V.V.; Bernard, E.P.; Lee, C.Y.; Lee, D.M.

    2003-01-01

    The exchange tunneling reactions D+H 2 →HD+H and D+HD→D 2 +H were used to generate high concentrations of atomic hydrogen in impurity-helium solids. The dependence of atom concentration on the content of hydrogen in the injected gas mixture gave a maximum concentration of 7.5x10 17 cm -3 hydrogen atoms for an initial gas ratio H 2 :D 2 :He=1:4:100

  17. Synthesis of diamonds in Fe–C systems using nitrogen and hydrogen co-doped impurities under HPHT

    International Nuclear Information System (INIS)

    Sun Shi-Shuai; Xu Zhi-Hui; Cui Wen; Jia Xiao-Peng; Ma Hong-An

    2017-01-01

    In this study, we investigate the effect of nitrogen and hydrogen impurities on colors, morphologies, impurity structures and synthesis conditions of diamond crystals in Fe–C systems with C 3 N 6 H 6 additives at pressures in the range 5.0–6.5 GPa and temperatures of 1400–1700 °C in detail. Our results reveal that the octahedron diamond nucleation in a Fe–C system is evidently inhibited by co-doped N–H elements, thereby resulting in the increase of minimum pressure and temperature of diamond synthesis by spontaneous nucleation. The octahedron diamond crystals synthesized from a pure Fe–C system are colorless, while they become green in the system with C 3 N 6 H 6 additive. The surface defects of diamond will deteriorate when the nitrogen and hydrogen atoms simultaneously incorporate in the diamond growth environment in the Fe–C system. We believe that this study will provide some important information and be beneficial for the deep understanding of the crystallization of diamonds from different component systems. (paper)

  18. Solid-State Hydrogen Storage

    Data.gov (United States)

    National Aeronautics and Space Administration — This project will develop a method for converting metals to metal hydrides at low pressures for hydrogen storage systems with high efficiency with respect to volume...

  19. Effect of Gaseous Impurities on Long-Term Thermal Cycling and Aging Properties of Complex Hydrides for Hydrogen Storage

    Energy Technology Data Exchange (ETDEWEB)

    Chandra, Dhanesh [Primary Contact; Lamb, Joshua; Chien, Wen-Ming; Talekar, Anjali; and Pal, Narendra

    2011-03-28

    This program was dedicated to understanding the effect of impurities on Long-Term Thermal Cycling and aging properties of Complex Hydrides for Hydrogen Storage. At the start of the program we found reversibility between Li2NH+LiH LiH+LiNH2 (yielding ~5.8 wt.%H capacity). Then we tested the effect of impurity in H2 gas by pressure cycling at 255°C; first with industrial gas containing ppm levels of O2 and H2O as major impurities. Both these impurities had a significant impact on the reversibility and decreased the capacity by 2.65 wt.%H. Further increase in number of cycles from 500 to 1100 showed only a 0.2 wt%H more weight loss, showing some capacity is still maintained after a significant number of cycles. The loss of capacity is attributed to the formation of ~55 wt% LiH and ~30% Li2O, as major contaminant phases, along with the hydride Li2NH phase; suggesting loss of nitrogen during cycling. The effect of 100 ppm H2O in H2 also showed a decrease of ~2.5 wt.%H (after 560 cycles), and 100ppm O2 in H2; a loss of ~4.1 wt.%. Methane impurity (100 ppm, 100cycles), showed a very small capacity loss of 0.9 wt.%H under similar conditions. However, when Li3N was pressure cycled with 100ppmN2-H2 there were beneficial effects were observed (255oC); the reversible capacity increased to 8.4wt.%H after 853 cycles. Furthermore, with 20 mol.%N2-H2 capacity increased to ~10 wt.%H after 516 cycles. We attribute this enhancement to the reaction of nitrogen with liquid lithium during cycling as the Gibbs free energy of formation of Li3N (Go = -98.7 kJ/mol) is more negative than that of LiH (Go = -50.3 kJ/mol). We propose that the mitigation of hydrogen capacity losses is due to the destabilization of the LiH phase that tends to accumulate during cycling. Also more Li2NH phase was found in the cycled product. Mixed Alanates (3LiNH2:Li3AlH6) showed that 7 wt% hydrogen desorbed under dynamic vacuum. Equilibrium experiments (maximum 12 bar H2) showed up to 4wt% hydrogen reversibly

  20. Effect of impurity correlation on the density of states in slightly compensated heavily doped semiconductors

    International Nuclear Information System (INIS)

    Doan Nhat Quang; Nguyen Nhu Dat; Dinh Van An

    1993-07-01

    A theory is developed of the electron density of states (DOS) in slightly compensated heavily doped semiconductors which undergo a thermal treatment. The calculation is carried out within the semiclassical approach to the random impurity field, taking adequately into account high-temperature correlation among the impurities and low temperature screening due to the free carriers as well. Then, a simple analytic expression for the DOS is obtained which exhibits the same energy dependence as in the case of a random impurity distribution, but now with some correlation-induced changes in the coefficients. A numerical estimation on non-compensated n-type sample of GaAs at a doping level of 5 x 10 18 cm -3 shows that in the tail region the correlated DOS turns out to be somewhat larger and cut less sharply than the random one. (author). 45 refs, 2 figs, 1 tab

  1. Hydrogen and helium recycling from stirred liquid lithium under steady state plasma bombardment

    Energy Technology Data Exchange (ETDEWEB)

    Hirooka, Yoshi, E-mail: hirooka.yoshihiko@nifs.ac.jp [National Institute for Fusion Science, 322-6 Oroshi, Toki, Gifu 509-5292 (Japan); The Graduate School for Advanced Studies, 322-6 Oroshi, Toki, Gifu 509-5292 (Japan); Zhou, Haishan [The Graduate School for Advanced Studies, 322-6 Oroshi, Toki, Gifu 509-5292 (Japan); Ono, Masa [Princeton Plasma Physics Laboratory, PO Box 451, Princeton, NJ 08543 (United States)

    2014-12-15

    For improved core performance via edge plasma-wall boundary control, solid and liquid lithium has been used as a plasma-facing material in a number of confinement experiments over the past several decades. Unfortunately, it is unavoidable that lithium is saturated in the surface region with implanted hydrogenic species as well as oxygen-containing impurities. For steady state operation, a flowing liquid lithium divertor with forced convection would probably be required. In the present work, the effects of liquid stirring to simulate forced convection have been investigated on the behavior of hydrogen and helium recycling from molten lithium at temperatures up to ∼350 °C. Data indicate that liquid stirring reactivates hydrogen pumping via surface de-saturation and/or uncovering impurity films, but can also induce helium release via surface temperature change.

  2. Study of impurity effects on CFETR steady-state scenario by self-consistent integrated modeling

    Science.gov (United States)

    Shi, Nan; Chan, Vincent S.; Jian, Xiang; Li, Guoqiang; Chen, Jiale; Gao, Xiang; Shi, Shengyu; Kong, Defeng; Liu, Xiaoju; Mao, Shifeng; Xu, Guoliang

    2017-12-01

    Impurity effects on fusion performance of China fusion engineering test reactor (CFETR) due to extrinsic seeding are investigated. An integrated 1.5D modeling workflow evolves plasma equilibrium and all transport channels to steady state. The one modeling framework for integrated tasks framework is used to couple the transport solver, MHD equilibrium solver, and source and sink calculations. A self-consistent impurity profile constructed using a steady-state background plasma, which satisfies quasi-neutrality and true steady state, is presented for the first time. Studies are performed based on an optimized fully non-inductive scenario with varying concentrations of Argon (Ar) seeding. It is found that fusion performance improves before dropping off with increasing {{Z}\\text{eff}} , while the confinement remains at high level. Further analysis of transport for these plasmas shows that low-k ion temperature gradient modes dominate the turbulence. The decrease in linear growth rate and resultant fluxes of all channels with increasing {{Z}\\text{eff}} can be traced to impurity profile change by transport. The improvement in confinement levels off at higher {{Z}\\text{eff}} . Over the regime of study there is a competition between the suppressed transport and increasing radiation that leads to a peak in the fusion performance at {{Z}\\text{eff}} (~2.78 for CFETR). Extrinsic impurity seeding to control divertor heat load will need to be optimized around this value for best fusion performance.

  3. Quantitative determination of a hydrogen impurity in a sodium coolant by hydride thermal dissociation

    Science.gov (United States)

    Ivanovskiy, M. N.; Pavlova, G. D.; Shmatko, B. A.; Milovidova, A. V.; Konovalov, E. YE.; Arnoldov, M. N.; Pleshivtsev, A. D.

    1988-01-01

    A molten sodium coolant containing hydrogen was heated in a vacuum at 450 C, and the gases generated pumped through a liquid nitrogen trap, and the H2 was then oxidized on a copper oxide substrate heated to 400 C. The accuracy of the method is 1.5 percent and the sensitivity is 1x10 to the -5 wt percent hydrogen.

  4. Stability of MOF-5 in a hydrogen gas environment containing fueling station impurities

    DEFF Research Database (Denmark)

    Ming, Yang; Purewal, Justin; Yang, Jun

    2016-01-01

    in the hydrogen fuel stream. Hydrogen intended for use in fuel cell vehicles should satisfy purity standards, such as those outlined in SAE J2719. This standard limits the concentration of certain species in the fuel stream based primarily on their deleterious effects on PEM fuel cells. However, the impact...

  5. Impurity states of vanadium in cadmium and zinc tellurides

    International Nuclear Information System (INIS)

    Gnatenko, Yu.P.; Farina, I.A.

    1996-01-01

    Low-temperature optical (4.5 K) and photoelectrical properties of CdTe and ZnTe crystals doped by vanadium are invetigated. The energies of carrier transition to valence and conduction bands, Mott-Habbard energy for 3d 3 -ion vanadium in both crystals are determined. The resonance of the excited 4 T l ( 4 P)-state of V 2+ -ion with the conduction band of CdTe crystal is found. 8 bibl.; 4 figs

  6. Ground state energy and wave function of an off-centre donor in spherical core/shell nanostructures: Dielectric mismatch and impurity position effects

    Energy Technology Data Exchange (ETDEWEB)

    Ibral, Asmaa [Equipe d’Optique et Electronique du Solide, Département de Physique, Faculté des Sciences, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida 24000 (Morocco); Laboratoire d’Instrumentation, Mesure et Contrôle, Département de Physique, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida (Morocco); Zouitine, Asmae [Département de Physique, Ecole Nationale Supérieure d’Enseignement Technique, Université Mohammed V Souissi, B.P. 6207 Rabat-Instituts, Rabat (Morocco); Assaid, El Mahdi, E-mail: eassaid@yahoo.fr [Equipe d’Optique et Electronique du Solide, Département de Physique, Faculté des Sciences, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida 24000 (Morocco); Laboratoire d’Instrumentation, Mesure et Contrôle, Département de Physique, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida (Morocco); Feddi, El Mustapha [Département de Physique, Ecole Nationale Supérieure d’Enseignement Technique, Université Mohammed V Souissi, B.P. 6207 Rabat-Instituts, Rabat (Morocco); and others

    2014-09-15

    Ground state energy and wave function of a hydrogen-like off-centre donor impurity, confined anywhere in a ZnS/CdSe spherical core/shell nanostructure are determined in the framework of the envelope function approximation. Conduction band-edge alignment between core and shell of nanostructure is described by a finite height barrier. Dielectric constant mismatch at the surface where core and shell materials meet is taken into account. Electron effective mass mismatch at the inner surface between core and shell is considered. A trial wave function where coulomb attraction between electron and off-centre ionized donor is used to calculate ground state energy via the Ritz variational principle. The numerical approach developed enables access to the dependence of binding energy, coulomb correlation parameter, spatial extension and radial probability density with respect to core radius, shell radius and impurity position inside ZnS/CdSe core/shell nanostructure.

  7. Ground state energy and wave function of an off-centre donor in spherical core/shell nanostructures: Dielectric mismatch and impurity position effects

    International Nuclear Information System (INIS)

    Ibral, Asmaa; Zouitine, Asmae; Assaid, El Mahdi; Feddi, El Mustapha

    2014-01-01

    Ground state energy and wave function of a hydrogen-like off-centre donor impurity, confined anywhere in a ZnS/CdSe spherical core/shell nanostructure are determined in the framework of the envelope function approximation. Conduction band-edge alignment between core and shell of nanostructure is described by a finite height barrier. Dielectric constant mismatch at the surface where core and shell materials meet is taken into account. Electron effective mass mismatch at the inner surface between core and shell is considered. A trial wave function where coulomb attraction between electron and off-centre ionized donor is used to calculate ground state energy via the Ritz variational principle. The numerical approach developed enables access to the dependence of binding energy, coulomb correlation parameter, spatial extension and radial probability density with respect to core radius, shell radius and impurity position inside ZnS/CdSe core/shell nanostructure

  8. An impurity-induced gap system as a quantum data bus for quantum state transfer

    International Nuclear Information System (INIS)

    Chen, Bing; Li, Yong; Song, Z.; Sun, C.-P.

    2014-01-01

    We introduce a tight-binding chain with a single impurity to act as a quantum data bus for perfect quantum state transfer. Our proposal is based on the weak coupling limit of the two outermost quantum dots to the data bus, which is a gapped system induced by the impurity. By connecting two quantum dots to two sites of the data bus, the system can accomplish a high-fidelity and long-distance quantum state transfer. Numerical simulations for finite system show that the numerical and analytical results of the effective coupling strength agree well with each other. Moreover, we study the robustness of this quantum communication protocol in the presence of disorder in the couplings between the nearest-neighbor quantum dots. We find that the gap of the system plays an important role in robust quantum state transfer

  9. The behaviour of impurities in a steady-state DT gas-blanket reactor

    International Nuclear Information System (INIS)

    Markvoort, J.A.

    1975-11-01

    A four-fluid model of a cylindrical steady-state DT gas-blanket reactor is analysed. The four fluids are electrons, deuterium-tritium, helium and a high -Z impurity. The behaviour of the plasma is described by the multifluid MHD-equations which are numerically solved with the aid of a Runge Kutta method. Whether impurities tend to concentrate on the axis is found to depend on how, in the collision term, the Nernst effect is taken into account. In order to show the influence of the Nernst terms arising from electron-ion collisions and the Nernst terms due to ion-ion collisions separately, the thermal force is dealt with in two ways. In model A, only the contribution from electron-ion collisions was considered. The computer calculations show that the impurities have their maximum concentration on the axis. A theoretical analysis explains this result. In model B, which is more realistic, these ion-ion collisions are included. The computer calculations as well as the theoretical analysis show that the influence of the thermoforce due to ion-ion collisions on the density profiles dominates over the force due to electron collisions, and lead to a minimum in the impurity density on the axis. As in model A, the analytical analysis yields relationships between the various density profiles and the temperature profile

  10. Solid-state characterization and impurities determination of fluconazol generic products marketed in Morocco

    Science.gov (United States)

    Bourichi, Houda; Brik, Youness; Hubert, Philipe; Cherrah, Yahia; Bouklouze, Abdelaziz

    2012-01-01

    In this paper, we report the results of quality control based in physicochemical characterization and impurities determination of three samples of fluconazole drug substances marketed in Morocco. These samples were supplied by different pharmaceuticals companies. The sample A, as the discovered product, was supplied by Pfizer, while samples B and C (generics), were manufactured by two different Indian industries. Solid-state characterization of the three samples was realized with different physicochemical methods as: X-ray powder diffraction, Fourier-transformation infrared spectroscopy, differential scanning calorimetry. High performance liquid chromatography was used to quantify the impurities in the different samples. The results from the physicochemical methods cited above, showed difference in polymorph structure of the three drug substances. Sample A consisted in pure polymorph III, sample B consisted in pure polymorph II, sample C consisted in a mixture of fluconazole Form III, form II and the monohydrate. This result was confirmed by differential scanning calorimetry. Also it was demonstrated that solvents used during the re-crystallization step were among the origins of these differences in the structure form. On the other hand, the result of the stability study under humidity and temperature showed that fluconazole polymorphic transformation could be owed to the no compliance with the conditions of storage. The HPLC analysis of these compounds showed the presence of specific impurities for each polymorphic form, and a possible relationship could be exist between impurities and crystalline form of fluconazole. PMID:29403776

  11. On the photo-ionization of impurity centres in semiconductors

    International Nuclear Information System (INIS)

    Tomak, M.

    1982-10-01

    The dependence of the photo-ionization cross-section on photon energy is calculated. The impurity potential is assumed to be of the Hulthen potential type and bound state wave function is calculated variationally. The results show that, at least in some cases, the Hulthen potential may describe the impurity better than the hydrogen or delta function potentials. (author)

  12. Steady-state tokamak reactor with non-divertor impurity control: STARFIRE

    International Nuclear Information System (INIS)

    Baker, C.C.

    1980-01-01

    STARFIRE is a conceptual design study of a commercial tokamak fusion electric power plant. Particular emphasis has been placed on simplifying the reactor concept by developing design concepts to produce a steady-state tokamak with non-divertor impurity control and helium ash removal. The concepts of plasma current drive using lower hybrid rf waves and a limiter/vacuum system for reactor applications are described

  13. Stability of MOF-5 in a hydrogen gas environment containing fueling station impurities

    DEFF Research Database (Denmark)

    Ming, Yang; Purewal, Justin; Yang, Jun

    2016-01-01

    , HCl, H2O, CO, CO2, CH4, O2, N2, and He) to pure hydrogen gas. Subsequently, MOF-5 was exposed to these mixtures over hundreds of adsorption/desorption pressure-swing cycles and for extended periods of static exposure. The impact of exposure was assessed by periodically measuring the hydrogen storage...... of these contaminants on MOFs is mostly unknown. In the present study MOF-5 is adopted as a prototypical moisture-sensitive hydrogen storage material. Five “impure” gas mixtures were prepared by introducing low-to-moderate levels (i.e., up to ∼200 times greater than the J2719 limit) of selected contaminants (NH3, H2S...

  14. Transport of plasma impurities and the role of the plasma edge layers for the hot plasma production

    International Nuclear Information System (INIS)

    Drawin, H.W.

    1987-01-01

    The first problem of impurity transport is removal of alpha particles from the interior outward. The second problem is the control of impurities produced in the plasma-wall interaction. Finally there is the problem of using injected impurities for assessment of transport coefficients. The influence of impurity radiation on the power balance of a DT plasma is considered. Limiters and divertors as impurity sources are mentioned and transport equations for impurities are given. As an example iron impurities transport in a hydrogen plasma is considered. The role of the edge layer is emphasized. Finally requirements for plasma diagnostics are stated. 50 refs., 10 figs. (qui)

  15. Partially Hydrogenated Graphene Materials Exhibit High Electrocatalytic Activities Related to Unintentional Doping with Metallic Impurities

    Czech Academy of Sciences Publication Activity Database

    Jankovský, O.; Libánská, A.; Bouša, D.; Sedmidubský, D.; Matějková, Stanislava; Sofer, Z.

    2016-01-01

    Roč. 22, č. 25 (2016), s. 8627-8634 ISSN 0947-6539 R&D Projects: GA ČR(CZ) GA15-09001S Institutional support: RVO:61388963 Keywords : electrocatalysis * electrochemistry * graphene * hydrogenation * sensing Subject RIV: CA - Inorganic Chemistry Impact factor: 5.317, year: 2016

  16. Magnetocaloric properties of distilled gadolinium: effects of structural inhomogeneity and hydrogen impurity

    Czech Academy of Sciences Publication Activity Database

    Burkhanov, G.S.; Kolchugina, N.B.; Tereshina, Evgeniya; Tereshina, I. S.; Politova, G.A.; Chzhan, V.B.; Badurski, D.; Chistyakov, O.D.; Paukov, M.; Drulis, H.; Havela, L.

    2014-01-01

    Roč. 104, č. 24 (2014), "242402-1"-"242402-5" ISSN 0003-6951 R&D Projects: GA ČR GAP204/12/0150 Institutional support: RVO:68378271 Keywords : high-purity rare- earth metals * gadolinium * magnetocaloric effect * hydrogenation * structural studies Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.302, year: 2014

  17. Impurity states and the diamagnetic susceptibility of a donor in a GaAs/AlxGa1-xAs Triangular Quantum Well under hydrostatic pressure

    Science.gov (United States)

    Kalpana, Panneer Selvam; Jayakumar, Kalyanasundaram

    2017-11-01

    We study the effect of Γ-X band crossover due to the application of hydrostatic pressure of a hydrogenic donor confined in a Triangular GaAs/Al1-xGaxAs Quantum Well (TQW) for x = 0.3 and the diamagnetic susceptibility (χdia) for such an impurity in 1s and some few low lying excited states have been investigated. The Schrodinger equation has been solved using variational technique in the effective mass approximation. The results show that the diamagnetic susceptibility (χdia) of a hydrogenic donor abruptly increases at a particular pressure for 1s and 2p± states but a steady increase for 2s state as a function of applied pressure.

  18. Effect of normal impurities on anisotropic superconductors with variable density of states

    Science.gov (United States)

    Whitmore, M. D.; Carbotte, J. P.

    1982-06-01

    We develop a generalized BCS theory of impure superconductors with an anisotropic electron-electron interaction represented by the factorizable model introduced by Markowitz and Kadanoff, and a variable electronic density of states N(ɛ), assumed to peak at the Fermi energy, which is modeled by a Lorentzian superimposed on a uniform background. As the impurity scattering is increased, the enhancement of T c by both the anisotropy and the peak in N(ɛ) is washed out. The reduction is investigated for different values of the anisotropy and different peak heights and widths. It is concluded that the effects of anisotropy and the peak are reduced together in such a way that any effect due to anisotropy is not easily distinguishable from that due to the peak.

  19. Effect of normal impurities on anisotropic superconductors with variable density of states

    International Nuclear Information System (INIS)

    Whitmore, M.D.; Carbotte, J.P.

    1982-01-01

    We develop a generalized BCS theory of impure superconductors with an anisotropic electron--electron interaction represented by the factorizable model introduced by Markowitz and Kadanoff, and a variable electronic density of states N(epsilon-c), assumed to peak at the Fermi energy, which is modeled by a Lorentzian superimposed on a uniform background. As the impurity scattering is increased, the enhancement of T/sub c/ by both the anisotropy and the peak in N(epsilon-c) is washed out. The reduction is investigated for different values of the anisotropy and different peak heights and widths. It is concluded that the effects of anisotropy and the peak are reduced together in such a way that any effect due to anisotropy is not easily distinguishable from that due to the peak

  20. Co-contribution of hydrogen impurities and native defects might be the answer for the n-type conductivity in ZnO

    International Nuclear Information System (INIS)

    Feng, Wu-Wei; Cho, Sunglae; Wang, Ming-Song; Dung, Dang Duc

    2016-01-01

    Highlights: • Native defects cannot explain large increase of resistance of the sample after 200 °C-annealing. • Native defects cannot explain changes of carrier concentration being in range of few orders lower than for stoichiometry. • Above two important phenomena can be explained by H-related defects. • n-type conductivity in ZnO cannot be solely ascribed to H-defects or native defects, both could be contributor. • The contribution of CH_x to the majority of n-type conductivity was ruled out. - Abstract: We reinvestigated the origin of n-type conductivity in the unintentionally-doped ZnO. 1000 °C-annealed sample was free of H- and C-related impurities and still demonstrated strong conductivity revealing the significant contribution of native defects to the n-type conductivity of ZnO. However, it is hydrogen impurities, rather than native defects, that can only explain the increase of sample resistivity after annealing in Ar at 200 °C and the small difference in the variation of carrier density upon considerable changes of the stoichiometry of sample. In this regard, we proposed that co-contribution of hydrogen impurities and native defects might be the answer for the n-type conductivity in ZnO in general, and the hydrogen impurities probably are the preferential origin responsible for the strong conductivity in ZnO if they exist substantially in the sample.

  1. Co-contribution of hydrogen impurities and native defects might be the answer for the n-type conductivity in ZnO

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Wu-Wei, E-mail: wfeng@cugb.edu.cn [School of Materials Science and Technology, China University of Geosciences, Beijing 100083 (China); Cho, Sunglae, E-mail: slcho@ulsan.ac.kr [Department of Physics, University of Ulsan, Ulsan 680-749 (Korea, Republic of); Wang, Ming-Song [School of Materials Science and Engineering, Jiangsu University, Zhenjiang 212013 (China); Dung, Dang Duc [Department of General Physics, School of Engineering Physics, Ha Noi University of Science and Technology, 1 Dai Co Viet Road, Ha Noi (Viet Nam)

    2016-01-28

    Highlights: • Native defects cannot explain large increase of resistance of the sample after 200 °C-annealing. • Native defects cannot explain changes of carrier concentration being in range of few orders lower than for stoichiometry. • Above two important phenomena can be explained by H-related defects. • n-type conductivity in ZnO cannot be solely ascribed to H-defects or native defects, both could be contributor. • The contribution of CH{sub x} to the majority of n-type conductivity was ruled out. - Abstract: We reinvestigated the origin of n-type conductivity in the unintentionally-doped ZnO. 1000 °C-annealed sample was free of H- and C-related impurities and still demonstrated strong conductivity revealing the significant contribution of native defects to the n-type conductivity of ZnO. However, it is hydrogen impurities, rather than native defects, that can only explain the increase of sample resistivity after annealing in Ar at 200 °C and the small difference in the variation of carrier density upon considerable changes of the stoichiometry of sample. In this regard, we proposed that co-contribution of hydrogen impurities and native defects might be the answer for the n-type conductivity in ZnO in general, and the hydrogen impurities probably are the preferential origin responsible for the strong conductivity in ZnO if they exist substantially in the sample.

  2. Isotope effect with energy-dependent density of states and impurities

    International Nuclear Information System (INIS)

    Williams, P.J.; Carbotte, J.P.

    1992-01-01

    We have calculated the total isotope coefficient β in a model where there is energy-dependent structure in the electronic density of states. We model the structure with a simple Lorentzian. In our calculation, doping has the effect of shifting the Fermi level and broadening the structure in the density of states. We have treated the dopants both as normal and as magnetic impurities. The asymmetry observed in the experimental data is found in our results. However, the complete range of values observed is difficult to reproduce. We question also whether the shifts in Fermi level required in such models are reasonable

  3. Studies of the fluorescent excited state of impurities in ionic crystals

    International Nuclear Information System (INIS)

    Romestain, Robert

    1972-01-01

    The author of this research thesis first presents experimental methods used in this research: principles (recall on the optical spectrum of an impurity in a solid, use of fluorescence polarization) and techniques (sample preparation, liquid helium cryostat, application of a disturbance, optical detection). Then, he reports the study of the Mn ++ ion in a tetrahedron crystalline field, the study of the Jahn Teller effect on the excited state of the F + centre in CaO, and the study by double resonance of a specific excited state of this same centre in CaO

  4. Hydrogen passivation of titanium impurities in silicon: Effect of doping conditions

    Energy Technology Data Exchange (ETDEWEB)

    Santos, P.; Coutinho, J., E-mail: jose.coutinho@ua.pt; Torres, V. J. B. [Department of Physics and I3N, University of Aveiro, Campus Santiago, 3810-193 Aveiro (Portugal); Rayson, M. J. [Department of Chemistry, University of Surrey, Guildford GU2 7XH (United Kingdom); Briddon, P. R. [School of Electrical, Electronic and Computer Engineering, Newcastle University, Newcastle Upon Tyne NE1 7RU (United Kingdom)

    2014-07-21

    While the contamination of solar silicon by fast diffusing transition metals can be now limited through gettering, much attention has been drawn to the slow diffusing species, especially the early 3d and 4d elements. To some extent, hydrogen passivation has been successful in healing many deep centers, including transition metals in Si. Recent deep-level transient spectroscopy (DLTS) measurements concerning hydrogen passivation of Ti revealed the existence of at least four electrical levels related to Ti{sub i}H{sub n} in the upper-half of the gap. These findings challenge the existing models regarding both the current level assignment as well as the structure/species involved in the defects. We revisit this problem by means of density functional calculations and find that progressive hydrogenation of interstitial Ti is thermodynamically stable in intrinsic and n-doped Si. Full passivation may not be possible to attain in p-type Si as Ti{sub i}H{sub 3} and Ti{sub i}H{sub 4} are metastable against dissociation and release of bond-centered protons. All DLTS electron traps are assigned, namely, E40′ to Ti{sub i}H(-/0), E170′ to Ti{sub i}H{sub 3}(0/+), E(270) to Ti{sub i}H{sub 2}(0/+), and E170 to Ti{sub i}H(0/+) transitions. Ti{sub i}H{sub 4} is confirmed to be electrically inert.

  5. Competing pseudogap and impurity effects on the normal-state specific heat properties of cuprate superconductors

    Science.gov (United States)

    Dzhumanov, S.; Karimboev, E. X.

    2014-07-01

    In this paper, we show that the pseudogap in the excitation spectra of high-Tc cuprates together with the impurity phase and charge inhomogeneity plays key roles in determining the essential features of their anomalous specific heat properties observed above Tc. We consider the doped cuprate superconductor as a multi-carrier model system (which consists of intrinsic and extrinsic polarons and pre-formed bosonic Cooper pairs) and study the competing pseudogap and impurity effects on the normal-state electronic specific heat of high-Tc cuprates taking into account charge inhomogeneities. We argue that unconventional electron-phonon interactions are responsible for the precursor Cooper pairing in the polaronic band below a mean-field temperature T∗ and the existence of a pseudogap above Tc in the cuprates. The electronic specific heat Ce(T) of doped cuprates below T∗ is calculated taking into account three contributions coming from the excited components of Cooper pairs, the ideal Bose-gas of incoherent Cooper pairs and the unpaired carriers in the impurity band. Above T∗, two contributions to Ce(T) coming from the unpaired intrinsic and extrinsic polarons are calculated within the two-component degenerate Fermi-gas model. By comparing our results with the experimental Ce(T) data obtained for La- and Y-based cuprates, we find that the observed behaviors of Ce(T) (below and above T∗) are similar to the calculated results for Ce(T) and the BCS-type jumps of Ce(T) at T∗ may be depressed by the impurity effects and may become more or less pronounced BCS-type anomalies in Ce(T) .

  6. In-gap bound states induced by interstitial Fe impurities in iron-based superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Degang, E-mail: degangzhang@yahoo.com

    2015-12-15

    Highlights: • We provide an explanation for the interesting STM observation of the robust zero energy bound state on the interstitial Fe impurities in iron-based superconductors. - Abstract: Based on a two-orbit four-band tight binding model, we investigate the low-lying electronic states around the interstitial excess Fe ions in the iron-based superconductors by using T-matrix approach. It is shown that the local density of states at the interstitial Fe impurity (IFI) possesses a strong resonance inside the gap, which seems to be insensitive to the doping and the pairing symmetry in the Fe–Fe plane, while a single or two resonances appear at the nearest neighboring (NN) Fe sites. The location and height of the resonance peaks only depend on the hopping t and the pairing parameter Δ{sub I} between the IFI and the NN Fe sites. These in-gap resonances are originated in the Andreev’s bound states due to the quasiparticle tunneling through the IFI, leading to the change of the magnitude of the superconducting order parameter. When both t and Δ{sub I} are small, this robust zero-energy bound state near the IFI is consistent with recent scanning tunneling microscopy observations.

  7. Effects of hydrogen-like impurity and electromagnetic field on quantum transition of an electron in a Gaussian potential with QD thickness

    Science.gov (United States)

    Xin, Wei; Zhao, Yu-Wei; Sudu; Eerdunchaolu

    2018-05-01

    Considering Hydrogen-like impurity and the thickness effect, the eigenvalues and eigenfunctions of the electronic ground and first exited states in a quantum dot (QD) are derived by using the Lee-Low-Pins-Pekar variational method with the harmonic and Gaussian potentials as the transverse and longitudinal confinement potentials, respectively. A two-level system is constructed on the basis of those two states, and the electronic quantum transition affected by an electromagnetic field is discussed in terms of the two-level system theory. The results indicate the Gaussian potential reflects the real confinement potential more accurately than the parabolic one; the influence of the thickness of the QD on the electronic transition probability is interesting and significant, and cannot be ignored; the electronic transition probability Γ is influenced significantly by some physical quantities, such as the strength of the electron-phonon coupling α, the electric-field strength F, the magnetic-field cyclotron frequency ωc , the barrier height V0 and confinement range L of the asymmetric Gaussian potential, suggesting the transport and optical properties of the QD can be manipulated further though those physical quantities.

  8. MOS Capacitance—Voltage Characteristics III. Trapping Capacitance from 2-Charge-State Impurities

    International Nuclear Information System (INIS)

    Jie Binbin; Sah Chihtang

    2011-01-01

    Low-frequency and high-frequency capacitance—voltage curves of Metal—Oxide—Semiconductor Capacitors are presented to illustrate giant electron and hole trapping capacitances at many simultaneously present two-charge-state and one-trapped-carrier, or one-energy-level impurity species. Models described include a donor electron trap and an acceptor hole trap, both donors, both acceptors, both shallow energy levels, both deep, one shallow and one deep, and the identical donor and acceptor. Device and material parameters are selected to simulate chemically and physically realizable capacitors for fundamental trapping parameter characterizations and for electrical and optical signal processing applications. (invited papers)

  9. Phase transitions and steady-state microstructures in a two-temperature lattice-gas model with mobile active impurities

    DEFF Research Database (Denmark)

    Henriksen, Jonas Rosager; Sabra, Mads Christian; Mouritsen, Ole G.

    2000-01-01

    The nonequilibrium, steady-state phase transitions and the structure of the different phases of a two-dimensional system with two thermodynamic temperatures are studied via a simple lattice-gas model with mobile active impurities ("hot/cold spots'') whose activity is controlled by an external drive...... on the temperatures, microstructured phases of both lamellar and droplet symmetry arise, described by a length scale that is determined by the characteristic temperature controlling the diffusive motion of the active impurities....

  10. Impurity magnetopolaron in a parabolic quantum dot: the squeezed-state variational approach

    International Nuclear Information System (INIS)

    Kandemir, B S; Cetin, A

    2005-01-01

    We present a calculation of the ground-state binding energy of an impurity magnetopolaron confined in a three-dimensional (3D) parabolic quantum dot potential, in the framework of a variational approach based on two successive canonical transformations. First, we apply a displaced-oscillator type unitary transformation to diagonalize the relevant Froehlich Hamiltonian. Second, a single-mode squeezed-state transformation is introduced to deal with bilinear terms arising from the first transformation. Finally, the parameters of these transformations together with the parameters included in the electronic trial wavefunction are determined variationally to obtain the ground-state binding energy of an impurity magnetopolaron confined in a 3D parabolic quantum dot potential. Our approach has two advantages: first, the displaced-oscillator transformation allows one to obtain results valid for whole range of electron-phonon coupling strength since it is a special combination of Lee-Low-Pines and Huybrechts (LLP-H) canonical transformations, and second, the later transformation improves all-coupling results. It has been shown that the effects of quadratic terms arising from the all-coupling approach are very important and should be taken into account in studying the size-dependent physical properties of nanostructured materials

  11. Infrared studies of impurity states and ultrafast carrier dynamics in semiconductor quantum structures

    Energy Technology Data Exchange (ETDEWEB)

    Stehr, D.

    2007-12-28

    This thesis deals with infrared studies of impurity states, ultrafast carrier dynamics as well as coherent intersubband polarizations in semiconductor quantum structures such as quantum wells and superlattices, based on the GaAs/AlGaAs material system. In the first part it is shown that the 2p{sub z} confined impurity state of a semiconductor quantum well develops into an excited impurity band in the case of a superlattice. This is studied by following theoretically the transition from a single to a multiple quantum well or superlattice by exactly diagonalizing the three-dimensional Hamiltonian for a quantum well system with random impurities. These results also require reinterpretation of previous experimental data. The relaxation dynamics of interminiband transitions in doped GaAs/AlGaAs superlattices in the mid-IR are studied. This involves single-color pump-probe measurements to explore the dynamics at different wavelengths, which is performed with the Rossendorf freeelectron laser (FEL), providing picosecond pulses in a range from 3-200 {mu}m and are used for the first time within this thesis. In these experiments, a fast bleaching of the interminiband transition is observed followed by thermalization and subsequent relaxation, whose time constants are determined to be 1-2 picoseconds. This is followed by an additional component due to carrier cooling in the lower miniband. In the second part, two-color pump-probe measurements are performed, involving the FEL as the pump source and a table-top broad-band tunable THz source for probing the transmission changes. In addition, the dynamics of excited electrons within the minibands is explored and their contribution quantitatively extracted from the measurements. Intersubband absorption experiments of photoexcited carriers in single quantum well structures, measured directly in the time-domain, i.e. probing coherently the polarization between the first and the second subband, are presented. By varying the carrier

  12. State-selective charge transfer cross sections for light ion impact of atomic hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Schultz, D. R. [University of North Texas; Stancil, Phillip C. [University of Georgia, Athens; Havener, C. C. [Oak Ridge National Laboratory (ORNL)

    2015-01-01

    Owing to the utility of diagnosing plasma properties such as impurity concentration and spatial distribution, and plasma temperature and rotation, by detection of photon emission following capture of electrons from atomic hydrogen to excited states of multiply charged ions, new calculations of state-selective charge transfer involving light ions have been carried out using the atomic orbital close-coupling and the classical trajectory Monte Carlo methods. By comparing these with results of other approaches applicable in a lower impact energy regime, and by benchmarking them using key experimental data, knowledge of the cross sections can be made available across the range parameters needed by fusion plasma diagnostics.

  13. Matrix product state calculations for one-dimensional quantum chains and quantum impurity models

    International Nuclear Information System (INIS)

    Muender, Wolfgang

    2011-01-01

    This thesis contributes to the field of strongly correlated electron systems with studies in two distinct fields thereof: the specific nature of correlations between electrons in one dimension and quantum quenches in quantum impurity problems. In general, strongly correlated systems are characterized in that their physical behaviour needs to be described in terms of a many-body description, i.e. interactions correlate all particles in a complex way. The challenge is that the Hilbert space in a many-body theory is exponentially large in the number of particles. Thus, when no analytic solution is available - which is typically the case - it is necessary to find a way to somehow circumvent the problem of such huge Hilbert spaces. Therefore, the connection between the two studies comes from our numerical treatment: they are tackled by the density matrix renormalization group (DMRG) and the numerical renormalization group (NRG), respectively, both based on matrix product states. The first project presented in this thesis addresses the problem of numerically finding the dominant correlations in quantum lattice models in an unbiased way, i.e. without using prior knowledge of the model at hand. A useful concept for this task is the correlation density matrix (CDM) which contains all correlations between two clusters of lattice sites. We show how to extract from the CDM, a survey of the relative strengths of the system's correlations in different symmetry sectors as well as detailed information on the operators carrying long-range correlations and the spatial dependence of their correlation functions. We demonstrate this by a DMRG study of a one-dimensional spinless extended Hubbard model, while emphasizing that the proposed analysis of the CDM is not restricted to one dimension. The second project presented in this thesis is motivated by two phenomena under ongoing experimental and theoretical investigation in the context of quantum impurity models: optical absorption

  14. Matrix product state calculations for one-dimensional quantum chains and quantum impurity models

    Energy Technology Data Exchange (ETDEWEB)

    Muender, Wolfgang

    2011-09-28

    This thesis contributes to the field of strongly correlated electron systems with studies in two distinct fields thereof: the specific nature of correlations between electrons in one dimension and quantum quenches in quantum impurity problems. In general, strongly correlated systems are characterized in that their physical behaviour needs to be described in terms of a many-body description, i.e. interactions correlate all particles in a complex way. The challenge is that the Hilbert space in a many-body theory is exponentially large in the number of particles. Thus, when no analytic solution is available - which is typically the case - it is necessary to find a way to somehow circumvent the problem of such huge Hilbert spaces. Therefore, the connection between the two studies comes from our numerical treatment: they are tackled by the density matrix renormalization group (DMRG) and the numerical renormalization group (NRG), respectively, both based on matrix product states. The first project presented in this thesis addresses the problem of numerically finding the dominant correlations in quantum lattice models in an unbiased way, i.e. without using prior knowledge of the model at hand. A useful concept for this task is the correlation density matrix (CDM) which contains all correlations between two clusters of lattice sites. We show how to extract from the CDM, a survey of the relative strengths of the system's correlations in different symmetry sectors as well as detailed information on the operators carrying long-range correlations and the spatial dependence of their correlation functions. We demonstrate this by a DMRG study of a one-dimensional spinless extended Hubbard model, while emphasizing that the proposed analysis of the CDM is not restricted to one dimension. The second project presented in this thesis is motivated by two phenomena under ongoing experimental and theoretical investigation in the context of quantum impurity models: optical absorption

  15. 3He impurity states on liquid 4He: From thin films to the bulk surface

    International Nuclear Information System (INIS)

    Pavloff, N.; Treiner, J.

    1991-01-01

    The structure of the states accessible to 3 He impurities in films of liquid 4 He on Nuclepore is investigated using a density functional approach with a finite-range effective interaction. In thick films, one finds that the two lowest states are localized in the surface region. For thinner films, the variation with film thickness of the first three states results from a delicate balance between the attractive tail of the substrate potential and the quantum finite-size effect. The existence of states localized in the second layer of the films is discussed. The energy difference between the ground state and the first excited state agrees with the recent determination of Higley, Sprague, and Hallock from magnetization measurements. The effective mass of the ground state has a structure similar to that obtained by Krotscheck and coworkers and exhibits a maximum for a 4 He coverage of 0.15 angstrom -2 , in agreement with the data of Gasparini and coworkers. A similar behavior is predicted for the effective mass of the first, second, and third excited states. The structure of the energy spectrum may also explain former results on third-sound measurements in thin mixture films by Laheurte et al. and by Hallock

  16. A LIBS method for simultaneous monitoring of the impurities and the hydrogenic composition present in the wall of the TJ-II stellarator

    Energy Technology Data Exchange (ETDEWEB)

    López-Miranda, B., E-mail: belen.lopez@ciemat.es; Zurro, B.; Baciero, A. [Laboratorio Nacional de Fusión, CIEMAT, Av. Complutense, 40, 28040 Madrid (Spain); Martínez, M. [Universidad Carlos III de Madrid, Av de la Universidad, 30, 28911 Leganés, Madrid (Spain)

    2016-11-15

    The study of plasma-wall interactions and impurity transport in the plasma fusion devices is critical for the development of future fusion reactors. An experiment to perform laser induced breakdown spectroscopy, using minor modifications of our existing laser blow-off impurity injection system, has been set up thus making both experiments compatible. The radiation produced by the laser pulse focused at the TJ-II wall evaporates a surface layer of deposited impurities and the subsequent radiation produced by the laser-produced plasma is collected by two separate lens and fiber combinations into two spectrometers. The first spectrometer, with low spectral resolution, records a spectrum from 200 to 900 nm to give a survey of impurities present in the wall. The second one, with high resolution, is tuned to the wavelengths of the Hα and Dα lines in order to resolve them and quantify the hydrogen isotopic ratio present on the surface of the wall. The alignment, calibration, and spectral analysis method will be described in detail. First experimental results obtained with this setup will be shown and its relevance for the TJ-II experimental program discussed.

  17. Hydrogen treatment as a detergent of electronic trap states in lead chalcogenide nanoparticles

    Science.gov (United States)

    Voros, Marton; Brawand, Nicholas; Galli, Giulia

    Lead chalcogenide (PbX) nanoparticles are promising materials for solar energy conversion. However, the presence of trap states in their electronic gap limits their usability, and developing a universal strategy to remove trap states is a persistent challenge. Using calculations based on density functional theory, we show that hydrogen acts as an amphoteric impurity on PbX nanoparticle surfaces; hydrogen atoms may passivate defects arising from ligand imbalance or off-stoichiometric surface terminations, irrespective of whether they originate from cation or anion excess. In addition, we show, using constrained density functional theory calculations, that hydrogen treatment of defective nanoparticles is also beneficial for charge transport in films. We also find that hydrogen adsorption on stoichiometric nanoparticles leads to electronic doping, preferentially n-type. Our findings suggest that post-synthesis hydrogen treatment of lead chalcogenide nanoparticle films is a viable approach to reduce electronic trap states or to dope well-passivated films. Work supported by the Center for Advanced Solar Photophysics, an Energy Frontier Research Center funded by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (NB) and U.S. DOE under Contract No. DE-AC02-06CH11357 (MV).

  18. Dependence of hydrogen-induced lattice defects and hydrogen embrittlement of cold-drawn pearlitic steels on hydrogen trap state, temperature, strain rate and hydrogen content

    International Nuclear Information System (INIS)

    Doshida, Tomoki; Takai, Kenichi

    2014-01-01

    The effects of the hydrogen state, temperature, strain rate and hydrogen content on hydrogen embrittlement susceptibility and hydrogen-induced lattice defects were evaluated for cold-drawn pearlitic steel that absorbed hydrogen in two trapping states. Firstly, tensile tests were carried out under various conditions to evaluate hydrogen embrittlement susceptibility. The results showed that peak 2 hydrogen, desorbed at temperatures above 200 °C as determined by thermal desorption analysis (TDA), had no significant effect on hydrogen embrittlement susceptibility. In contrast, hydrogen embrittlement susceptibility increased in the presence of peak 1 hydrogen, desorbed from room temperature to 200 °C as determined by TDA, at temperatures higher than −30 °C, at lower strain rates and with higher hydrogen content. Next, the same effects on hydrogen-induced lattice defects were also evaluated by TDA using hydrogen as a probe. Peak 2 hydrogen showed no significant effect on either hydrogen-induced lattice defects or hydrogen embrittlement susceptibility. It was found that hydrogen-induced lattice defects formed under the conditions where hydrogen embrittlement susceptibility increased. This relationship indicates that hydrogen embrittlement susceptibility was higher under the conditions where the formation of hydrogen-induced lattice defects tended to be enhanced. Since hydrogen-induced lattice defects formed by the interaction between hydrogen and strain were annihilated by annealing at a temperature of 200 °C, they were presumably vacancies or vacancy clusters. One of the common atomic-level changes that occur in cold-drawn pearlitic steel showing higher hydrogen embrittlement susceptibility is the formation of vacancies and vacancy clusters

  19. Negative compressibility observed in graphene containing resonant impurities

    International Nuclear Information System (INIS)

    Chen, X. L.; Wang, L.; Li, W.; Wang, Y.; He, Y. H.; Wu, Z. F.; Han, Y.; Zhang, M. W.; Xiong, W.; Wang, N.

    2013-01-01

    We observed negative compressibility in monolayer graphene containing resonant impurities under different magnetic fields. Hydrogenous impurities were introduced into graphene by electron beam (e-beam) irradiation. Resonant states located in the energy region of ±0.04 eV around the charge neutrality point were probed in e-beam-irradiated graphene capacitors. Theoretical results based on tight-binding and Lifshitz models agreed well with experimental observations of graphene containing a low concentration of resonant impurities. The interaction between resonant states and Landau levels was detected by varying the applied magnetic field. The interaction mechanisms and enhancement of the negative compressibility in disordered graphene are discussed.

  20. Variational method for magnetic impurities in metals: impurity pairs

    Energy Technology Data Exchange (ETDEWEB)

    Oles, A M [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany, F.R.); Chao, K A [Linkoeping Univ. (Sweden). Dept. of Physics and Measurement Technology

    1980-01-01

    Applying a variational method to the generalized Wolff model, we have investigated the effect of impurity-impurity interaction on the formation of local moments in the ground state. The direct coupling between the impurities is found to be more important than the interaction between the impurities and the host conduction electrons, as far as the formation of local moments is concerned. Under certain conditions we also observe different valences on different impurities.

  1. Electronic structure and optical properties of triangular GaAs/AlGaAs quantum dots: Exciton and impurity states

    Energy Technology Data Exchange (ETDEWEB)

    Tiutiunnyk, A. [Grupo de Materia Condensada-UdeA, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín (Colombia); Department of Physics, Donbass State Engineering Academy, Shkadinova 72, 84313 Kramatorsk (Ukraine); Akimov, V. [Grupo de Materia Condensada-UdeA, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín (Colombia); Department of Physics, Donbass State Engineering Academy, Shkadinova 72, 84313 Kramatorsk (Ukraine); Universidad de Medellín, Carrera 87 No 30-65 Medellín (Colombia); Tulupenko, V. [Grupo de Materia Condensada-UdeA, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín (Colombia); Department of Physics, Donbass State Engineering Academy, Shkadinova 72, 84313 Kramatorsk (Ukraine); Mora-Ramos, M.E. [Centro de Investigación en Ciencias, Instituto de Investigación en Ciencias Básicas y Aplicadas, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, CP 62209 Cuernavaca, Morelos (Mexico); Kasapoglu, E. [Cumhuriyet University, Physics Department, 58140 Sivas (Turkey); Ungan, F. [Cumhuriyet University, Faculty of Technology, Deparment of Optical Engineering, 58140 Sivas (Turkey); Sökmen, I. [Department of Physics, Dokuz Eylül University, 35160 Buca, İzmir (Turkey); and others

    2016-03-01

    Electronic structure and optical properties in equilateral triangular GaAs/Al{sub 0.3}Ga{sub 0.7}As quantum dots are studied extensively. The effects of donor and acceptor impurity atoms positioned in the orthocenter of the triangle, as well as of the external DC electric field are taken into account. Binding energies of the impurity, exciton energies, interband photoluminescence peak positions as well as linear and non-linear optical properties in THz range caused by transitions between excitonic states are calculated and discussed.

  2. Electronic structure and optical properties of triangular GaAs/AlGaAs quantum dots: Exciton and impurity states

    International Nuclear Information System (INIS)

    Tiutiunnyk, A.; Akimov, V.; Tulupenko, V.; Mora-Ramos, M.E.; Kasapoglu, E.; Ungan, F.; Sökmen, I.

    2016-01-01

    Electronic structure and optical properties in equilateral triangular GaAs/Al_0_._3Ga_0_._7As quantum dots are studied extensively. The effects of donor and acceptor impurity atoms positioned in the orthocenter of the triangle, as well as of the external DC electric field are taken into account. Binding energies of the impurity, exciton energies, interband photoluminescence peak positions as well as linear and non-linear optical properties in THz range caused by transitions between excitonic states are calculated and discussed.

  3. A study on temperature effects on hydrogen recycling and molybdenum impurity emission from a movable limiter in TRIAM-1M Tokamak

    International Nuclear Information System (INIS)

    Bhattacharyay, R.; Zushi, H.; Nakashima, K.; Shikama, T.; Sakamoto, M.; Yoshida, N.; Kado, S.; Sawada, K.; Hirooka, Y.; Nakamura, K.; Hanada, K.; Idei, H.; Hasegawa, M.; Sato, K.N.; Ogawa, M.; Takaki, O.; Sasaki, K.; Xu, H.; Kawasaki, S.; Nakashima, H.; Higashijima, A.

    2007-01-01

    In order to investigate the surface temperature effects on plasma fuel recycling and impurity release from the plasma facing components, plasma discharges have been performed under selected plasma-wall interaction (PWI) conditions in the high-field superconducting tokamak, TRIAM-1M. By moving a water-cooled molybdenum movable limiter (ML) beyond the last closed flux surface, as defined by poloidal limiters, the surface temperature profile on it is varied. Hot spots have been observed on the ML surface in such conditions. The release behaviour of fuel as well as impurity particles from the ML surface has been studied as a function of hot spot temperature (T hot ) by means of wide range spectroscopy (200-1600 nm). A critical T hot is found to be ∼2100 K above which the emission of both hydrogen and impurity particles enhances significantly. This is indicative of some thermally activated process playing an important role in PWIs between the limiter and the edge plasma. With the rise in hot spot temperature localized PWI at the ML is found to dominate the global recycling even when external fuelling is stopped

  4. Role of four-fermion interaction and impurity in the states of two-dimensional semi-Dirac materials.

    Science.gov (United States)

    Wang, Jing

    2018-03-28

    We study the effects of four-fermion interaction and impurity on the low-energy states of 2D semi-Dirac materials by virtue of the unbiased renormalization group approach. The coupled flow equations that govern the energy-dependent evolutions of all correlated interaction parameters are derived after taking into account one-loop corrections from the interplay between four-fermion interaction and impurity. Whether and how four-fermion interaction and impurity influence the low-energy properties of 2D semi-Dirac materials are discreetly explored and addressed attentively. After carrying out the standard renormalization group analysis, we find that both trivial insulating and nontrivial semimetal states are qualitatively stable against all four kinds of four-fermion interactions. However, while switching on both four-fermion interaction and impurity, certain insulator-semimetal phase transitions and the distance of Dirac nodal points can be respectively induced and modified due to their strong interplay and intimate competition. Moreover, several non-Fermi liquid behaviors that deviate from the conventional Fermi liquids are exhibited at the lowest-energy limit.

  5. External electric field and hydrostatic pressure effects on the binding energy and self-polarization of an off-center hydrogenic impurity confined in a GaAs/AlGaAs square quantum well wire

    International Nuclear Information System (INIS)

    Rezaei, G.; Mousavi, S.; Sadeghi, E.

    2012-01-01

    Based on the effective-mass approximation within a variational scheme, binding energy and self-polarization of hydrogenic impurity confined in a finite confining potential square quantum well wire, under the action of external electric field and hydrostatic pressure, are investigated. The binding energy and self-polarization are computed as functions of the well width, impurity position, electric field, and hydrostatic pressure. Our results show that the external electric field and hydrostatic pressure as well as the well width and impurity position have a great influence on the binding energy and self-polarization.

  6. From Kondo to local singlet state in graphene nanoribbons with magnetic impurities

    Science.gov (United States)

    Diniz, G. S.; Luiz, G. I.; Latgé, A.; Vernek, E.

    2018-03-01

    A detailed analysis of the Kondo effect of a magnetic impurity in a zigzag graphene nanoribbon is addressed. An adatom is coupled to the graphene nanoribbon via a hybridization amplitude Γimp in a hollow- or top-site configuration. In addition, the adatom is also weakly coupled to a metallic scanning tunnel microscope (STM) tip by a hybridization function Γtip that provides a Kondo screening of its magnetic moment. The entire system is described by an Anderson-like Hamiltonian whose low-temperature physics is accessed by employing the numerical renormalization-group approach, which allows us to obtain the thermodynamic properties used to compute the Kondo temperature of the system. We find two screening regimes when the adatom is close to the edge of the zigzag graphene nanoribbon: (1) a weak-coupling regime (Γimp≪Γtip ), in which the edge states produce an enhancement of the Kondo temperature TK, and (2) a strong-coupling regime (Γimp≫Γtip ), in which a local singlet is formed, to the detriment of the Kondo screening by the STM tip. These two regimes can be clearly distinguished by the dependence of their characteristic temperature T* on the coupling between the adatom and the carbon sites of the graphene nanoribbon Vimp. We observe that in the weak-coupling regime T* increases exponentially with Vimp2. Differently, in the strong-coupling regime, T* increases linearly with Vimp2.

  7. Impurity Resonant States p-type Doping in Wide-Band-Gap Nitrides

    Science.gov (United States)

    Liu, Zhiqiang; Yi, Xiaoyan; Yu, Zhiguo; Yuan, Gongdong; Liu, Yang; Wang, Junxi; Li, Jinmin; Lu, Na; Ferguson, Ian; Zhang, Yong

    2016-01-01

    In this work, a new strategy for achieving efficient p-type doping in high bandgap nitride semiconductors to overcome the fundamental issue of high activation energy has been proposed and investigated theoretically, and demonstrated experimentally. Specifically, in an AlxGa1-xN/GaN superlattice structure, by modulation doping of Mg in the AlxGa1-xN barriers, high concentration of holes are generated throughout the material. A hole concentration as high as 1.1 × 1018 cm-3 has been achieved, which is about one order of magnitude higher than that typically achievable by direct doping GaN. Results from first-principle calculations indicate that the coupling and hybridization between Mg 2p impurity and the host N 2p orbitals are main reasons for the generation of resonant states in the GaN wells, which further results in the high hole concentration. We expect this approach to be equally applicable for other high bandgap materials where efficient p-type doing is difficult. Furthermore, a two-carrier-species Hall-effect model is proposed to delineate and discriminate the characteristics of the bulk and 2D hole, which usually coexist in superlattice-like doping systems. The model reported here can also be used to explain the abnormal freeze-in effect observed in many previous reports.

  8. Impurity production and transport at the JET belt limiter

    International Nuclear Information System (INIS)

    Pitcher, C.S.; McCracken, G.M.; Strangeby, P.C.; Toronto Univ., ON; Summers, D.D.R.

    1989-01-01

    Under certain operating conditions in JET the impurity content of the discharge can be high, thus reducing the fusion reaction rate through the dilution of the hydrogenic fuel. The dilution in most discharges is predominantly due to carbon impurities. In order to understand how carbon impurities are produced and transported into the plasma, detailed measurements with interference filters centered on intense spectral lines of the low ionization states of carbon (C I, C II, C III) as well as the fuel species (Dα) and helium (He I). (author) 6 refs., 4 figs

  9. Final Scientifc Report - Hydrogen Education State Partnership Project

    Energy Technology Data Exchange (ETDEWEB)

    Leon, Warren

    2012-02-03

    Under the leadership of the Department of Energy Hydrogen and Fuel Cells program, Clean Energy States Alliance (CESA) educated and worked with state leaders to encourage wider deployment of fuel cell and hydrogen technologies. Through outreach to state policymakers, legislative leaders, clean energy funds, energy agencies, and public utility commissions, CESA worked to accomplish the following objectives of this project: 1. Provide information and technical assistance to state policy leaders and state renewable energy programs in the development of effective hydrogen fuel cell programs. 2. Identify and foster hydrogen program best practices. 3. Identify and promote strategic opportunities for states and the Department of Energy (DOE) to advance hydrogen technology deployment through partnerships, collaboration, and targeted activities. Over the three years of this project, CESA, with our partner National Conference of State Legislatures (NCSL), was able to provide credible information on fuel cell policies, finance, and technical assistance to hundreds of state officials and other stakeholders. CESA worked with its membership network to effectively educate state clean energy policymakers, program managers, and decision makers about fuel cell and hydrogen technologies and the efforts by states to advance those technologies. With the assistance of NCSL, CESA gained access to an effective forum for outreach and communication with state legislators from all 50 states on hydrogen issues and policies. This project worked to educate policymakers and stakeholders with the potential to develop and deploy stationary and portable fuel cell technologies.

  10. Impurity production and transport at limiters

    International Nuclear Information System (INIS)

    Matthews, G.F.

    1989-01-01

    This paper concentrates on the description and evaluation of experiments on the DITE tokamak. These are designed to characterise the processes involved in the production and transport of neutral and ionised impurities near carbon limiters. The need for good diagnostics in the scrape-off layer is highlighted. Langmuir probes are used to provide input data for models of impurity production at limiters. Observations of the radial profiles of carbon and oxygen impurities are compared with the code predictions. Changeover experiments involving hydrogen and helium plasmas are used as a means for investigating the role of the atomic physics and chemistry. The impurity control limiter (ICL) experiment is described which shows how geometry plays an important role in determining the spatial distributions of the neutral and ionised carbon. New diagnostics are required to study the flux and charge state distribution of impurities in the boundary. Preliminary results from an in-situ plasma ion mass-spectrometer are presented. The role of oxygen and the importance of evaluating the wall sources of impurity are emphasised. (orig.)

  11. Topological edge states and impurities: Manifestation in the local static and dynamical characteristics of dimerized quantum chains

    Science.gov (United States)

    Zvyagin, A. A.

    2018-04-01

    Based on the results of exact analytic calculations, we show that topological edge states and impurities in quantum dimerized chains manifest themselves in various local static and dynamical characteristics, which can be measured in experiments. In particular, topological edge states can be observed in the magnetic field behavior of the local magnetization or magnetic susceptibility of dimerized spin chains as jumps (for the magnetization) and features (for the static susceptibility) at zero field. In contrast, impurities reveal themselves in similar jumps and features, however, at nonzero values of the critical field. We also show that dynamical characteristics of dimerized quantum chains also manifest the features, related to the topological edge states and impurities. Those features, as a rule, can be seen more sharply than the manifestation of bulk extended states in, e.g., the dynamical local susceptibility. Such peculiarities can be observed in one-dimensional dimerized spin chains, e.g., in NMR experiments, or in various realizations of quantum dimerized chains in optical experiments.

  12. Binding energy and photoionization cross-section of hydrogen-like impurity in a Poschl-Teller quantum well

    International Nuclear Information System (INIS)

    Hakimifard, A.

    2010-01-01

    The effect of the donor impurity position and the form of confining potential on the binding energy and the photoionization cross-section if a semiconductor quantum well with Poschl-Teller potential is investigated. An analytical expression for the photoionization cross-section is obtained for the case when the polarization vector of light wave is directed along the direction of size quantization. It is shown that the photoionization cross-section has a threshold behavior

  13. CO impurities effect on LaNi 4.7 Al 0.3 hydrogen storage alloy ...

    Indian Academy of Sciences (India)

    temperature test. The activated sample was completely deactivated after only 3 hydriding/dehydriding cycles in hydrogen containing 300 ppm CO at 30 °C, but hydrogen storage capacity did not degrade when tested at 80 °C. Additionally, two ...

  14. Impurity gettering in semiconductors

    Science.gov (United States)

    Sopori, Bhushan L.

    1995-01-01

    A process for impurity gettering in a semiconductor substrate or device such as a silicon substrate or device. The process comprises hydrogenating the substrate or device at the back side thereof with sufficient intensity and for a time period sufficient to produce a damaged back side. Thereafter, the substrate or device is illuminated with electromagnetic radiation at an intensity and for a time period sufficient to cause the impurities to diffuse to the back side and alloy with a metal there present to form a contact and capture the impurities. The impurity gettering process also can function to simultaneously passivate defects within the substrate or device, with the defects likewise diffusing to the back side for simultaneous passivation. Simultaneously, substantially all hydrogen-induced damage on the back side of the substrate or device is likewise annihilated. Also taught is an alternate process comprising thermal treatment after hydrogenation of the substrate or device at a temperature of from about 500.degree. C. to about 700.degree. C. for a time period sufficient to cause the impurities to diffuse to the damaged back side thereof for subsequent capture by an alloying metal.

  15. Donor impurity states and related optical response in a lateral coupled dot-ring system under applied electric field

    Energy Technology Data Exchange (ETDEWEB)

    Correa, J.D. [Departamento de Ciencias Básicas, Universidad de Medellín, Medellín (Colombia); Mora-Ramos, M.E. [Centro de Investigación en Ciencias, Instituto de Ciencias Básicas y Aplicadas, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, CP 62209 Cuernavaca, Morelos (Mexico); Duque, C.A., E-mail: cduque@fisica.udea.edu.co [Grupo de Materia Condensada-UdeA, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín (Colombia)

    2015-09-01

    A study on the effects of an externally applied electric field on the linear optical absorption and relative refractive index change associated with transitions between off-center donor impurity states in laterally coupled quantum dot-ring system is reported. Electron states are calculated within the effective mass and parabolic band approximations by means of an exact diagonalization procedure. The states and the optical response in each case show significant sensitivity to the geometrical distribution of confining energies as well as to the strength of the applied field.

  16. Donor impurity states and related optical response in a lateral coupled dot-ring system under applied electric field

    International Nuclear Information System (INIS)

    Correa, J.D.; Mora-Ramos, M.E.; Duque, C.A.

    2015-01-01

    A study on the effects of an externally applied electric field on the linear optical absorption and relative refractive index change associated with transitions between off-center donor impurity states in laterally coupled quantum dot-ring system is reported. Electron states are calculated within the effective mass and parabolic band approximations by means of an exact diagonalization procedure. The states and the optical response in each case show significant sensitivity to the geometrical distribution of confining energies as well as to the strength of the applied field

  17. Microscopic models of impurities in silicon

    International Nuclear Information System (INIS)

    Assali, L.V.C.

    1985-01-01

    The study of electronic structure of insulated and complex puntual impurities in silicon responsible by the appearing of deep energy levels in the forbiden band of semiconductor, is presented. The molecular cluster model with the treatment of surface orbitals by Watson sphere within the formalism of Xα multiple scattering method, was used. The electronic structures of three clusters representative of perfect silicon crystal, which were used for the impurity studies, are presented. The method was applied to analyse insulated impurities of substitutional and interstitial hydrogen (Si:H and Si:H i ), subtitutional and interstitial iron in neutral and positive charge states (Si:Fe 0 , + , Si:Fe 0 , + ) and substitutional gold in three charge states(Si,Au - , 0 , + ). The thetraedic interstitial defect of silicon (Si:Si i ) was also studied. The complex impurities: neighbour iron pair in the lattice (Si:Fe 2 ), substitutional gold-interstitial iron pair (Si:Au s Fe) and substitutional boron-interstitial hydrogen pair (Si:B s H i ), were analysed. (M.C.K.) [pt

  18. The effects of temperature, hydrostatic pressure and size on optical gain for GaAs spherical quantum dot laser with hydrogen impurity

    Science.gov (United States)

    Owji, Erfan; Keshavarz, Alireza; Mokhtari, Hosein

    2016-10-01

    In this paper, the effects of temperature, hydrostatic pressure and size on optical gain for GaAs spherical quantum dot laser with hydrogen impurity are investigated. For this purpose, the effects of temperature, pressure and quantum dot size on the band gap energy, effective mass, and dielectric constant are studied. The eigenenergies and eigenstates for valence and conduction band are calculated by using Runge-Kutta numerical method. Results show that changes in the temperature, pressure and size lead to the alteration of the band gap energy and effective mass. Also, increasing the temperature redshifts the optical gain peak and at special temperature ranges lead to increasing or decreasing of it. Further, by reducing the size, temperature-dependent of optical gain is decreased. Additionally, enhancing of the hydrostatic pressure blueshifts the peak of optical gain, and its behavior as a function of pressure which depends on the size. Finally, increasing the radius rises the redshifts of the peak of optical gain.

  19. Quantitative analysis of impurities present in the trace state in CdTe

    International Nuclear Information System (INIS)

    Al-Neami, A.

    1988-01-01

    Impurities in CdTe have been analyzed by PIXE using 3 MeV protons and by 1 MeV Ar ion induced X-ray emission. In the case of PIXE elements with Z > 25 are detected whereas with Ar ions only elements with 13 [fr

  20. Conditions for stability of different valence states of manganese impurity in α-Al2O3

    International Nuclear Information System (INIS)

    Kulagin, N.A.; Apanasenko, A.L.; Kazakov, N.A.

    1983-01-01

    The influence of crystal growth conditions on valence change of a Mn ion at γ-irradiation of corUndum has been studied. The results were obtained on an ESR-spectrome-- ter at 300 K. The crystals (except Mn ions) contained different impurities (Fe 3+ , Cr 3+ , Ti) and depending on the impurities on γ-irradiation, the transition of Mn 3+ both into Mn 3+ and Mn 4+ state or into one of them was observed. For several crystals (with Ti impOrity), the delta-like decrease of Csub(Mnsup(2+)) concentration is observed at 750+800 K and a full decrease of Csub(Mnsup(2+)) was obtained at 1100-1200 K.The results allow the conclusion of the possible mechanisms underlying the stabilization of Mn 2+ and Mn 4+ ions in corundum

  1. Neutralization study of boron and some metallic impurities (gold, titanium, manganese, chromium) by hydrogen implantation in monocrystal silicon

    International Nuclear Information System (INIS)

    Zundel, T.

    1987-02-01

    Boron doped silicon implanted with hydrogen at low energy in the temperature range 80-140 0 C shows a large decrease of the electrically active dopant concentration up to a depth which increases with the temperature, the implantation duration and the starting material resistivity. This effect is assigned to the formation of an electrically inactive BH complex. The hydrogen incorporation process shows a weakly temperature dependent enhanced diffusion step followed by a normal diffusion phase which may be described by a thermally activated diffusion coefficient. Heating at 80 0 C produces a complete dissociation of the BH complexes in the space charge region of reverse biased Schottky diodes. Consequently the released hydrogen drifts under the electric field and the neutralization becomes more pronounced in the bulk. Hydrogen neutralizes the gold, chromium, manganese related deep levels but has no effect on titanium related defect levels. Thermal annealing at 495 0 C of hydrogenated chromium or manganese doped samples produces four majority carriers levels which disappear at 700 0 C [fr

  2. Fluid phases of hydrogen-bound states and thermodynamical properties

    International Nuclear Information System (INIS)

    Ebeling, W.; Kraeft, W.D.

    1985-08-01

    The fluid phases of hydrogen and especially the existence of two critical points, the density dependence of the two - particle states and the effective interactions are discussed. An effective Schroedinger equation and a Saha equation are given. (author)

  3. Spectrographic determination of impurities in ammonium hydrogen fluoride samples. II. Study of the behaviour of the added matrices

    International Nuclear Information System (INIS)

    Alduan, F. A.; Roca, M.; Capdevila, C.

    1979-01-01

    In order to account for the variations In the shape of the excitation-volatilization' curves and the values of the line intensities of the different impurities determined in ammonium bifluoride, the behaviour of the added matrices (graphite, 63203, GeO 2 , MgO and ZnO) has been considered. With this aim the influence of the added matrices on the are discharge parameters (temperature and electronic concentration) and on the exhaustion rate of the electrode load as a function of the excitation time has been studied. On the other hand, the curve of variation of the line intensity of the metallic component of each matrix versus time has been obtained and the residues in the electrode cavity have been investigated by X-ray powder diffraction. (Author) 7 refs

  4. Spectrographic determination of impurities in amonium hydrogen fluoride samples. II. Study of the behaviour the added matrices

    International Nuclear Information System (INIS)

    Alduan, F.A.; Capdevila, C; Roca, M.

    1979-01-01

    In order to account for the variations in the shape of the excitation-volatilization curves and the values of the line intensities of the different impurities determined in ammonium bifluoride, the behaviour of the added matrices (graphite, Ga 2 O 3 , GeO 2 , MgO and ZnO) has been considered. With this aim the influence of the added matrices on the arc discharge parameters (temperature and electronic concentration) and on the exhaustation rate of the electrode load as a function of the excitation time has been studied. On the other hand, the curve of variation of the line intensity of the metallic component of each matrix versus time has been obtained and the residues in the electrode cavity have been investigated by X-ray powder diffraction. (author)

  5. CO impurities effect on LaNi4∙7Al0∙3 hydrogen storage alloy ...

    Indian Academy of Sciences (India)

    Administrator

    LaNi4∙7Al0∙3 alloy was prepared by vacuum induction melting in high purity helium atmosphere, .... The particle size of the ... tated Ni, and hydrogen molecules are dissociated into .... range of 30–150 °C, the sample weight loss is about 1∙3%.

  6. Impurity transport calculations for the limiter shadow region of a tokamak

    International Nuclear Information System (INIS)

    Claassen, H.A.; Repp, H.

    1981-01-01

    Impurity transport calculations are presented for the scrape-off layer of a tokamak with a poloidal ring limiter. The theory is based on the drift-kinetic equations for the impurity ions in their different ionization states. It is developed in the limit of low impurity concentrations under due consideration of electron impact ionization, Coulomb collisions with hydrogen ions streaming onto a neutralizing surface, a convection along the magnetic field, and a radial drift. The background plasma and the impurity sources at the walls enter the theory as input parameters. Numerical results are given for the radial profiles of density, temperature, particle flux, and energy flux of wall-released impurity ions as well as for the screening efficiency of the scrape-off layer neglecting impurity re-emission from the limiter. (author)

  7. Binding energy of donor impurity states and optical absorption in the Tietz-Hua quantum well under an applied electric field

    Science.gov (United States)

    Al, E. B.; Kasapoglu, E.; Sakiroglu, S.; Duque, C. A.; Sökmen, I.

    2018-04-01

    For a quantum well which has the Tietz-Hua potential, the ground and some excited donor impurity binding energies and the total absorption coefficients, including linear and third order nonlinear terms for the transitions between the related impurity states with respect to the structure parameters and the impurity position as well as the electric field strength are investigated. The binding energies were obtained using the effective-mass approximation within a variational scheme and the optical transitions between any two impurity states were calculated by using the density matrix formalism and the perturbation expansion method. Our results show that the effects of the electric field and the structure parameters on the optical transitions are more pronounced. So we can adjust the red or blue shift in the peak position of the absorption coefficient by changing the strength of the electric field as well as the structure parameters.

  8. Hydrogen storage: state-of-the-art and future perspective

    International Nuclear Information System (INIS)

    Tzimas, E.; Filiou, C.; Peteves, S.D.; Veyret, J.B.

    2003-01-01

    The EU aims at establishing a sustainable energy supply, able to provide affordable and clean energy without increasing green house gas emissions. Hydrogen and fuel cells are seen by many as key energy system solutions for the 21. century, enabling clean and efficient production of power and heat from a broad range of primary energy sources. To be effective, there is a crucial need for well-coordinated research, development and deployment at European Level. The particular segment of hydrogen storage is one key element of the full hydrogen chain and it must meet a number of challenges before it is introduced into the global energy system. Regarding its energy characteristics, the gravimetric energy density of hydrogen is about three times higher than gasoline, but its energy content per volume is about a quarter. Therefore, the most significant problem for hydrogen (in particular for on-board vehicles) is to store sufficient -amounts of hydrogen. The volumetric energy density of hydrogen can be increased by compression or liquefaction which are both the most mature technologies. Still the energy required for both compression and liquefaction is one element to be properly assessed in considering the different pathways in particular for distribution. As far as on-board vehicle storage is concerned all possible options (compressed, liquid, metal hydrides and porous structures) have their own advantages and disadvantages with respect to weight, volume, energy efficiency, refuelling times, cost and safety aspects. To address these problems, long-term commitments to scientific excellence in research, coupled with co-ordination between the many different stakeholders, is required. In the current state-of-the-art in hydrogen storage, no single technology satisfies all of the criteria required by manufacturers and end-users, and a large number of obstacles have to be overcome. The current hydrogen storage technologies and their associated limitations/needs for improvement

  9. Shape and structural motifs control of MgTi bimetallic nanoparticles using hydrogen and methane as trace impurities

    NARCIS (Netherlands)

    Krishnan, Gopi; de Graaf, Sytze; ten Brink, Gert H.; Verheijen, Marcel A.; Kooi, Bart J.; Palasantzas, George

    2018-01-01

    In this work we report the influence of methane/hydrogen on the nucleation and formation of MgTi bimetallic nanoparticles (NPs) prepared by gas phase synthesis. We show that a diverse variety of structural motifs can be obtained from MgTi alloy, TiCx/Mg/MgO, TiCx/MgO and TiHx/MgO core/shell NPs via

  10. Stark-shift of impurity fundamental state in a lens shaped quantum dot

    Science.gov (United States)

    Aderras, L.; Bah, A.; Feddi, E.; Dujardin, F.; Duque, C. A.

    2017-05-01

    We calculate the Stark effect and the polarisability of shallow-donor impurity located in the centre of lens shaped quantum dot by a variational method and in the effective-mass approximation. Our theoretical model assumes an infinite confinement to describe the barriers at the dot boundaries and the electric field is considered to be applied in the z-direction. The systematic theoretical investigation contains results with the quantum dot size and the strength of the external field. Our calculations reveal that the interval wherein the polarisability varies depends strongly on the dot size.

  11. Hydrogen from biomass: state of the art and research challenges

    Energy Technology Data Exchange (ETDEWEB)

    Milne, Thomas A; Elam, Carolyn C; Evans, Robert J

    2002-02-01

    The report was prepared for the International Energy Agency (IEA) Agreement on the Production and Utilization of Hydrogen, Task 16, Hydrogen from Carbon-Containing Materials. Hydrogen's share in the energy market is increasing with the implementation of fuel cell systems and the growing demand for zero-emission fuels. Hydrogen production will need to keep pace with this growing market. In the near term, increased production will likely be met by conventional technologies, such as natural gas reforming. In these processes, the carbon is converted to CO2 and released to the atmosphere. However, with the growing concern about global climate change, alternatives to the atmospheric release of CO2 are being investigated. Sequestration of the CO2 is an option that could provide a viable near-term solution. Reducing the demand on fossil resources remains a significant concern for many nations. Renewable-based processes like solar- or wind-driven electrolysis and photobiological water splitting hold great promise for clean hydrogen production; however, advances must still be made before these technologies can be economically competitive. For the near-and mid-term, generating hydrogen from biomass may be the more practical and viable, renewable and potentially carbon-neutral (or even carbon-negative in conjunction with sequestration) option. Recently, the IEA Hydrogen Agreement launched a new task to bring together international experts to investigate some of these near- and mid-term options for producing hydrogen with reduced environmental impacts. This review of the state of the art of hydrogen production from biomass was prepared to facilitate in the planning of work that should be done to achieve the goal of near-term hydrogen energy systems. The relevant technologies that convert biomass to hydrogen, with emphasis on thermochemical routes are described. In evaluating the viability of the conversion routes, each must be put in the context of the availability of

  12. High temperature equation of state of metallic hydrogen

    International Nuclear Information System (INIS)

    Shvets, V. T.

    2007-01-01

    The equation of state of liquid metallic hydrogen is solved numerically. Investigations are carried out at temperatures from 3000 to 20 000 K and densities from 0.2 to 3 mol/cm 3 , which correspond both to the experimental conditions under which metallic hydrogen is produced on earth and the conditions in the cores of giant planets of the solar system such as Jupiter and Saturn. It is assumed that hydrogen is in an atomic state and all its electrons are collectivized. Perturbation theory in the electron-proton interaction is applied to determine the thermodynamic potentials of metallic hydrogen. The electron subsystem is considered in the randomphase approximation with regard to the exchange interaction and the correlation of electrons in the local-field approximation. The proton-proton interaction is taken into account in the hard-spheres approximation. The thermodynamic characteristics of metallic hydrogen are calculated with regard to the zero-, second-, and third-order perturbation theory terms. The third-order term proves to be rather essential at moderately high temperatures and densities, although it is much smaller than the second-order term. The thermodynamic potentials of metallic hydrogen are monotonically increasing functions of density and temperature. The values of pressure for the temperatures and pressures that are characteristic of the conditions under which metallic hydrogen is produced on earth coincide with the corresponding values reported by the discoverers of metallic hydrogen to a high degree of accuracy. The temperature and density ranges are found in which there exists a liquid phase of metallic hydrogen

  13. Lindblad-driven discretized leads for nonequilibrium steady-state transport in quantum impurity models: Recovering the continuum limit

    Science.gov (United States)

    Schwarz, F.; Goldstein, M.; Dorda, A.; Arrigoni, E.; Weichselbaum, A.; von Delft, J.

    2016-10-01

    The description of interacting quantum impurity models in steady-state nonequilibrium is an open challenge for computational many-particle methods: the numerical requirement of using a finite number of lead levels and the physical requirement of describing a truly open quantum system are seemingly incompatible. One possibility to bridge this gap is the use of Lindblad-driven discretized leads (LDDL): one couples auxiliary continuous reservoirs to the discretized lead levels and represents these additional reservoirs by Lindblad terms in the Liouville equation. For quadratic models governed by Lindbladian dynamics, we present an elementary approach for obtaining correlation functions analytically. In a second part, we use this approach to explicitly discuss the conditions under which the continuum limit of the LDDL approach recovers the correct representation of thermal reservoirs. As an analytically solvable example, the nonequilibrium resonant level model is studied in greater detail. Lastly, we present ideas towards a numerical evaluation of the suggested Lindblad equation for interacting impurities based on matrix product states. In particular, we present a reformulation of the Lindblad equation, which has the useful property that the leads can be mapped onto a chain where both the Hamiltonian dynamics and the Lindblad driving are local at the same time. Moreover, we discuss the possibility to combine the Lindblad approach with a logarithmic discretization needed for the exploration of exponentially small energy scales.

  14. Hydrostatic Pressure and Built-In Electric Field Effects on the Donor Impurity States in Cylindrical Wurtzite GaN/AlxGa1−xN Quantum Rings

    Directory of Open Access Journals (Sweden)

    Guangxin Wang

    2015-01-01

    Full Text Available Within the framework of the effective mass approximation, the ground-state binding energy of a hydrogenic impurity is investigated in cylindrical wurtzite GaN/AlxGa1-xN strained quantum ring (QR by means of a variational approach, considering the influence of the applied hydrostatic pressure along the QR growth direction and the strong built-in electric field (BEF due to the piezoelectricity and spontaneous polarization. Numerical results show that the donor binding energy for a central impurity increases inchmeal firstly as the QR radial thickness (ΔR decreases gradually and then begins to drop quickly. In addition, the donor binding energy is an increasing (a decreasing function of the inner radius (height. It is also found that the donor binding energy increases almost linearly with the increment of the applied hydrostatic pressure. Moreover, we also found that impurity positions have an important influence on the donor binding energy. The physical reasons have been analyzed in detail.

  15. Metastability and Rydberg states of triatomic hydrogen

    International Nuclear Information System (INIS)

    Helm, H.

    1991-01-01

    The np,nd and nf Rydberg series of H 3 have been studied by one- or two-photon excitation from the lowest metastable state of H 3 :B2p 2 A 2 ''. The lifetime of the metastable state has been measured and the influence of an external electric field on the Rydberg states has been studied under both aspects of dynamics (field-ionization and field-induced predissociation) and structure (Strak effect)

  16. States of an on-axis two-hydrogenic-impurity complex in concentric double quantum rings

    International Nuclear Information System (INIS)

    R-Fulla, M.; Marín, J.H.; Suaza, Y.A.; Duque, C.A.; Mora-Ramos, M.E.

    2014-01-01

    The energy structure of an on-axis two-donor system (D 2 0 ) confined in GaAs concentric double quantum rings under the presence of magnetic field and hydrostatic pressure was analyzed. Based on structural data for the double quantum ring morphology, a rigorous adiabatic procedure was implemented to separate the electrons' rapid in-plane motions from the slow rotational ones. A one-dimensional equation with an effective angular-dependent potential, which describes the two-electron rotations around the common symmetry axis of quantum rings was obtained. It was shown that D 2 0 complex characteristic features are strongly dependent on the quantum ring geometrical parameters. Besides, by changing the hydrostatic pressure and magnetic field strengths, it is possible to tune the D 2 0 energy structure. Our results are comparable to those previously reported for a single and negative ionized donor in a spherical quantum dot after a selective setting of the geometrical parameters of the structure. - Highlights: • We report the eigenenergies of a D 2 0 complex in concentric double quantum rings. • Our model is versatile enough to analyze the dissociation process D 2 0 →D 0 +D + +e − . • We compare the D 0 eigenenergies in horn toroidal and spherical shaped quantum dots. • We show the effects of hydrostatic pressure and magnetic field on the D 2 0 spectrum. • The use of hydrostatic pressure provides higher thermal stability to the D 2 0 complex

  17. States of an on-axis two-hydrogenic-impurity complex in concentric double quantum rings

    Energy Technology Data Exchange (ETDEWEB)

    R-Fulla, M., E-mail: marlonfulla@yahoo.com [Escuela de Física, Universidad Nacional de Colombia, A.A. 3840, Medellín (Colombia); Institución Universitaria Pascual Bravo, A.A. 6564, Medellín (Colombia); Marín, J.H.; Suaza, Y.A. [Escuela de Física, Universidad Nacional de Colombia, A.A. 3840, Medellín (Colombia); Duque, C.A. [Grupo de Materia Condensada-U de A, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia, calle 70 No. 52-21, Medellín (Colombia); Mora-Ramos, M.E. [Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, CP 62209, Cuernavaca, Morelos (Mexico)

    2014-06-13

    The energy structure of an on-axis two-donor system (D{sub 2}{sup 0}) confined in GaAs concentric double quantum rings under the presence of magnetic field and hydrostatic pressure was analyzed. Based on structural data for the double quantum ring morphology, a rigorous adiabatic procedure was implemented to separate the electrons' rapid in-plane motions from the slow rotational ones. A one-dimensional equation with an effective angular-dependent potential, which describes the two-electron rotations around the common symmetry axis of quantum rings was obtained. It was shown that D{sub 2}{sup 0} complex characteristic features are strongly dependent on the quantum ring geometrical parameters. Besides, by changing the hydrostatic pressure and magnetic field strengths, it is possible to tune the D{sub 2}{sup 0} energy structure. Our results are comparable to those previously reported for a single and negative ionized donor in a spherical quantum dot after a selective setting of the geometrical parameters of the structure. - Highlights: • We report the eigenenergies of a D{sub 2}{sup 0} complex in concentric double quantum rings. • Our model is versatile enough to analyze the dissociation process D{sub 2}{sup 0}→D{sup 0}+D{sup +}+e{sup −}. • We compare the D{sup 0} eigenenergies in horn toroidal and spherical shaped quantum dots. • We show the effects of hydrostatic pressure and magnetic field on the D{sub 2}{sup 0} spectrum. • The use of hydrostatic pressure provides higher thermal stability to the D{sub 2}{sup 0} complex.

  18. LEDs for the Implementation of Advanced Hydrogenation Using Hydrogen Charge-State Control

    Directory of Open Access Journals (Sweden)

    Chee Mun Chong

    2018-01-01

    Full Text Available Light-induced degradation (LID of p-type Cz solar cells has plagued the industry for many decades. However, in recent years, new techniques for solving this LID have been developed, with hydrogen passivation of the boron-oxygen defects appearing to be an important contributor to the solution. Advanced hydrogenation approaches involving the control of the charge state for the hydrogen atoms in silicon to enhance their diffusivity and reactivity are developed and evaluated in this work for commercial application using a prototype industrial tool in conjunction with solar cells manufactured on commercial production lines. This prototype tool, unlike the previous successful laser-based laboratory approaches, is based on the use of LEDs for controlling the charge state of the hydrogen atoms. The illumination from the LEDs is also used in this work to passivate process-induced defects and contamination from the respective production lines with significant improvements in both efficiency and stability. The results indicate that the low-cost LED-based industrial tool performs as well as the laser-based laboratory tool for implementing these advanced hydrogen passivation approaches.

  19. The effects of the electric and intense laser field on the binding energies of donor impurity states (1s and 2p±) and optical absorption between the related states in an asymmetric parabolic quantum well

    Science.gov (United States)

    Kasapoglu, E.; Sakiroglu, S.; Sökmen, I.; Restrepo, R. L.; Mora-Ramos, M. E.; Duque, C. A.

    2016-10-01

    We have calculated the effects of electric and intense laser fields on the binding energies of the ground and some excited states of conduction electrons coupled to shallow donor impurities as well as the total optical absorption coefficient for transitions between 1s and 2p± electron-impurity states in a asymmetric parabolic GaAs/Ga1-x AlxAs quantum well. The binding energies were obtained using the effective-mass approximation within a variational scheme. Total absorption coefficient (linear and nonlinear absorption coefficient) for the transitions between any two impurity states were calculated from first- and third-order dielectric susceptibilities derived within a perturbation expansion for the density matrix formalism. Our results show that the effects of the electric field, intense laser field, and the impurity location on the binding energy of 1s-impurity state are more pronounced compared with other impurity states. If the well center is changed to be Lc0), the effective well width decreases (increases), and thus we can obtain the red or blue shift in the resonant peak position of the absorption coefficient by changing the intensities of the electric and non-resonant intense laser field as well as dimensions of the well and impurity positions.

  20. Liquid hydrogen production and commercial demand in the United States

    Science.gov (United States)

    Heydorn, Barbara

    1990-01-01

    Kennedy Space Center, the single largest purchaser of liquid hydrogen (LH2) in the United States, evaluated current and anticipated hydrogen production and consumption in the government and commercial sectors. Specific objectives of the study are as follows: (1) identify LH2 producers in the United States and Canada during 1980-1989 period; (2) compile information in expected changes in LH2 production capabilities over the 1990-2000 period; (3) describe how hydrogen is used in each consuming industry and estimate U.S. LH2 consumption for the chemicals, metals, electronics, fats and oil, and glass industries, and report data on a regional basis; (4) estimate historical and future consumption; and (5) assess the influence of international demands on U.S. plants.

  1. Asymptotics of Rydberg states for the hydrogen atom

    International Nuclear Information System (INIS)

    Thomas, L.E.

    1997-01-01

    The asymptotics of Rydberg states, i.e., highly excited bound states of the hydrogen atom Hamiltonian, and various expectations involving these states are investigated. We show that suitable linear combinations of these states, appropriately rescaled and regarded as functions either in momentum space or configuration space, are highly concentrated on classical momentum space or configuration space Kepler orbits respectively, for large quantum numbers. Expectations of momentum space or configuration space functions with respect to these states are related to time-averages of these functions over Kepler orbits. (orig.)

  2. Contribution to the study of hydrogenated and oxygenated impurities in liquid sodium; Contribution a l'etude des impuretees hydrogenees et oxygenees dans le sodium liquide

    Energy Technology Data Exchange (ETDEWEB)

    Naud, G [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1964-07-15

    This study is made up essentially of two parts. The first is devoted to the development of dosage methods for selectively determining the oxygenated and hydrogenated impurities present in sodium, that is the oxide, the hydride and the hydroxide. The second makes use of these methods for a study of the Na-H{sub 2}-O{sub 2} system, as well as of the related problem of the attack of pyrex glass by molten sodium. The conventional method for dosing oxygen by amalgamation was first adapted to the simultaneous measurement of the hydride. We then developed a method for dosing the total hydrogen by measuring successively the concentrations of gas present in the hydride and hydroxide form. This method is based on the thermal decomposition of the hydride and the reaction between sodium and the hydroxide. Our contribution to the study of the Na-H{sub 2}-O{sub 2} System consists first of all in the study of the reaction between hydrogen and sodium in the temperature range from 150 to 250 deg C and at a pressure of about 150 mm of mercury. The study of the thermal decomposition of the hydride in sodium was then studied. It was possible to make some qualitative observations concerning the reaction between sodium and sodium hydroxide. Finally some complementary tests made it possible to define the nature of the phenomena occurring during the attack of pyrex glass by sodium. (author) [French] Cette etude comporte essentiellement deux parties. La premiere est consacree a la mise au point de methodes de dosages permettant de determiner selectivement les impuretes oxygenees et hydrogenees presentes dans le sodium, a savoir l'oxyde, l'hydrure et l'hydroxyde. La seconde met a profit ces methodes en vue de l'etude du systeme Na-H{sub 2}-O{sub 2}. ainsi que du phenomene connexe d'attaque du verre pyrex par le sodium fondu. La methode classique de dosage de l'oxygene par amalgamation a d'abord ete adaptee au dosage simultane de l'hydrure. Nous avons ensuite mis au point le dosage de l'hydrogene

  3. Spin-state responses to light impurity substitution in low-spin perovskite LaCoO3

    Science.gov (United States)

    Tomiyasu, Keisuke; Kubota, Yuuki; Shimomura, Saya; Onodera, Mitsugi; Koyama, Syun-Ichi; Nojima, Tsutomu; Ishihara, Sumio; Nakao, Hironori; Murakami, Youichi

    2013-06-01

    We studied the spin-state responses to light impurity substitution in low-spin perovskite LaCoO3 (Co3+: d6) through magnetization, x-ray fluorescence, and electrical resistivity measurements of single-crystal LaCo0.99M0.01O3 (M = Cr, Mn, Fe, Ni). In the magnetization curves measured at 1.8 K, a change in the spin-state was not observed for Cr, Mn, or Fe substitution but was observed for Ni substitution. Strong magnetic anisotropy was also found in the Ni-substituted sample. The fluorescence measurements revealed that the valences were roughly estimated to be Cr3+, Mn(4-δ)+, Fe(3+δ')+, and Ni3+. From the observed chemical trends, we propose that the chemical potential is a key factor in inducing the change of the low-spin state. By expanding a model of the ferromagnetic spin-state heptamer generated by hole doping [Podlesnyak , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.101.247603 101, 247603 (2008)], the emergence of highly anisotropic spin-state molecular ferromagnets induced by low-spin Ni3+ with Jahn-Teller activity is suggested. We also discuss applicability of the present results to other materials with Fe (d6).

  4. Standardized Testing Program for Solid-State Hydrogen Storage Technologies

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Michael A. [Southwest Research Institute; Page, Richard A. [Southwest Research Institute

    2012-07-30

    In the US and abroad, major research and development initiatives toward establishing a hydrogen-based transportation infrastructure have been undertaken, encompassing key technological challenges in hydrogen production and delivery, fuel cells, and hydrogen storage. However, the principal obstacle to the implementation of a safe, low-pressure hydrogen fueling system for fuel-cell powered vehicles remains storage under conditions of near-ambient temperature and moderate pressure. The choices for viable hydrogen storage systems at the present time are limited to compressed gas storage tanks, cryogenic liquid hydrogen storage tanks, chemical hydrogen storage, and hydrogen absorbed or adsorbed in a solid-state material (a.k.a. solid-state storage). Solid-state hydrogen storage may offer overriding benefits in terms of storage capacity, kinetics and, most importantly, safety.The fervor among the research community to develop novel storage materials had, in many instances, the unfortunate consequence of making erroneous, if not wild, claims on the reported storage capacities achievable in such materials, to the extent that the potential viability of emerging materials was difficult to assess. This problem led to a widespread need to establish a capability to accurately and independently assess the storage behavior of a wide array of different classes of solid-state storage materials, employing qualified methods, thus allowing development efforts to focus on those materials that showed the most promise. However, standard guidelines, dedicated facilities, or certification programs specifically aimed at testing and assessing the performance, safety, and life cycle of these emergent materials had not been established. To address the stated need, the Testing Laboratory for Solid-State Hydrogen Storage Technologies was commissioned as a national-level focal point for evaluating new materials emerging from the designated Materials Centers of Excellence (MCoE) according to

  5. Equations of state for hydrogen and deuterium.

    Energy Technology Data Exchange (ETDEWEB)

    Kerley, Gerald Irwin (Kerley Technical Services, Appomattox, VA)

    2003-12-01

    This report describes the complete revision of a deuterium equation of state (EOS) model published in 1972. It uses the same general approach as the 1972 EOS, i.e., the so-called 'chemical model,' but incorporates a number of theoretical advances that have taken place during the past thirty years. Three phases are included: a molecular solid, an atomic solid, and a fluid phase consisting of both molecular and atomic species. Ionization and the insulator-metal transition are also included. The most important improvements are in the liquid perturbation theory, the treatment of molecular vibrations and rotations, and the ionization equilibrium and mixture models. In addition, new experimental data and theoretical calculations are used to calibrate certain model parameters, notably the zero-Kelvin isotherms for the molecular and atomic solids, and the quantum corrections to the liquid phase. The report gives a general overview of the model, followed by detailed discussions of the most important theoretical issues and extensive comparisons with the many experimental data that have been obtained during the last thirty years. Questions about the validity of the chemical model are also considered. Implications for modeling the 'giant planets' are also discussed.

  6. Breatherlike impurity modes in discrete nonlinear lattices

    DEFF Research Database (Denmark)

    Hennig, D.; Rasmussen, Kim; Tsironis, G. P.

    1995-01-01

    We investigate the properties of a disordered generalized discrete nonlinear Schrodinger equation, containing both diagonal and nondiagonal nonlinear terms. The equation models a Linear host lattice doped with nonlinear impurities. We find different types of impurity states that form itinerant...

  7. Hydrogen.

    Science.gov (United States)

    Bockris, John O'M

    2011-11-30

    The idea of a "Hydrogen Economy" is that carbon containing fuels should be replaced by hydrogen, thus eliminating air pollution and growth of CO₂ in the atmosphere. However, storage of a gas, its transport and reconversion to electricity doubles the cost of H₂ from the electrolyzer. Methanol made with CO₂ from the atmosphere is a zero carbon fuel created from inexhaustible components from the atmosphere. Extensive work on the splitting of water by bacteria shows that if wastes are used as the origin of feed for certain bacteria, the cost for hydrogen becomes lower than any yet known. The first creation of hydrogen and electricity from light was carried out in 1976 by Ohashi et al. at Flinders University in Australia. Improvements in knowledge of the structure of the semiconductor-solution system used in a solar breakdown of water has led to the discovery of surface states which take part in giving rise to hydrogen (Khan). Photoelectrocatalysis made a ten times increase in the efficiency of the photo production of hydrogen from water. The use of two electrode cells; p and n semiconductors respectively, was first introduced by Uosaki in 1978. Most photoanodes decompose during the photoelectrolysis. To avoid this, it has been necessary to create a transparent shield between the semiconductor and its electronic properties and the solution. In this way, 8.5% at 25 °C and 9.5% at 50 °C has been reached in the photo dissociation of water (GaP and InAs) by Kainthla and Barbara Zeleney in 1989. A large consortium has been funded by the US government at the California Institute of Technology under the direction of Nathan Lewis. The decomposition of water by light is the main aim of this group. Whether light will be the origin of the post fossil fuel supply of energy may be questionable, but the maximum program in this direction is likely to come from Cal. Tech.

  8. Three-body bound states of two bosonic impurities immersed in a Fermi sea in 2D

    DEFF Research Database (Denmark)

    Bellotti, F. F.; Frederico, T.; Yamashita, M. T.

    2016-01-01

    We consider two identical impurities immersed in a Fermi sea for a broad range of masses and for both interacting and non-interacting impurities. The interaction between the particles is described through attractive zero-range potentials and the problem is solved in momentum space. The two...

  9. Impurity quadrupole Kondo ground state in a dilute Pr system Y1-xPrxIr2Zn20

    Science.gov (United States)

    Yamane, Yu; Onimaru, Takahiro; Uenishi, Kazuto; Wakiya, Kazuhei; Matsumoto, Keisuke T.; Umeo, Kazunori; Takabatake, Toshiro

    2018-05-01

    The electrical resistivity ρ and specific heat C of a dilute Pr system Y1-xPrxIr2Zn20 for 0 ≤ x ≤ 0.44 were measured to study the phenomena arising from active quadrupoles of the Pr3+ ion with 4f2 configuration. On cooling, ρ's of all samples monotonically decrease, while the residual resistivity ratio ρ(300 K)/ρ(3 K) drastically decreases with x. In the whole range x ≤ 0.44, the magnetic contribution to the specific heat divided by temperature Cm/T shows a broad maximum at around 10 K, which can be reproduced by a two-level model with a first-excited triplet separated by 30 K from a ground state doublet. This indicates that the crystalline electric field ground state of the Pr ions remains in the Γ3 doublet for the cubic Td point group. On cooling, the Cm/T data for x = 0.085 and 0.44 approach constant values at Texpected from the random two-level model. By contrast, Cm/T for x = 0.044 increases continuously down to 0.08 K, suggesting a non-Fermi liquid state due to the impurity quadrupole Kondo effect.

  10. Dinamical polarizability of highly excited hydrogen-like states

    International Nuclear Information System (INIS)

    Delone, N.B.; Krajnov, V.P.

    1982-01-01

    Analytic expressions are derived for the dynamic polarizability of highly excited hydrogen-like atomic states. It is shown that in the composite matrix element which determines the dynamic polarizability there is a strong compensation of the terms as a result of which the resulting magnitude of the dynamic polarizability is quasiclasically small compared to the individual terms of the composite matrix. It is concluded that the resonance behaviour of the dynamic polarizability of highly excited states differs significantly from the resonance behaviour of the polarizability for the ground and low-lying atomic states. The static limit and high-frequency limit of on electromagnetic field are considered

  11. Impurity effects in the electrothermal instability

    International Nuclear Information System (INIS)

    Tomimura, A.; Azevedo, M.T. de

    1982-01-01

    A 'impure' plasma model is proposed based on the homogeneous hydrogen plasma used in the theory formulated by Tomimura and Haines to explain the electrothermal instable mode growth with the wave vector perpendicular to the applied magnetic field. The impurities are introduced implicitly in the transport coefficients of the two-fluid model through a effective charge number Z sub(eff). (Author) [pt

  12. 3He impurities on liquid 4He: possible existence of excited states

    International Nuclear Information System (INIS)

    Pavloff, N.; Treiner, J.

    1989-01-01

    We study, using a density functional approach, the properties of the two dimensional system formed by 3 He atoms on the surface of liquid 4 He, as a function of 3 He coverage N s . We find that the excited state recently proposed by Dalfovo and Stringari in the case of infinite dilution does survive when the number of surface 3 He atoms increases. For small values of N s , the surface tension σ is, as expected, linear in N s 2 . For N s ≅0.035 atom per square-Angstrom, i.e. half a monolayer, a new type of surface state starts being occupied, and this feature manifests itself by a change in the slope of σ as a function of N s 2 and, more clearly, by a discontinuity in the surface specific heat, which increases by a factor of almost 2. These predictions call for experimental investigations

  13. Impurity States and diamagnetic susceptibility of a donor in a triangular quantum well

    Science.gov (United States)

    Kalpana, P.; Reuben, A. Merwyn Jasper D.; Nithiananthi, P.; Jayakumar, K.

    2017-05-01

    We have calculated the binding energy and the diamagnetic susceptibility(χdia) of the ground (1s) and few low lying excited states (2s and 2p±) in a GaAs/AlxGa1-xAs Triangular Quantum Well (TQW) for the Al composition of x = 0.3. Since the estimation of gives the carrier localization in nanostructured systems and also the calculation of (χdia) involves the , the same has also been estimated as a function of well width. The Schrodinger equation has been solved using variational technique involving Airy functions in the effective mass approximation. The results are presented and discussed.

  14. Impurity energy level in the Haldane gap

    International Nuclear Information System (INIS)

    Wang Wei; Lu Yu

    1995-11-01

    An impurity bond J' in a periodic 1D antiferromagnetic spin 1 chain with exchange J is considered. Using the numerical density matrix renormalization group method, we find an impurity energy level in the Haldane gap, corresponding to a bound state near the impurity bond. When J' J. The impurity level appears only when the deviation dev = (J'- J)/J' is greater than B c , which is close to 0.3 in our calculation. (author). 15 refs, 4 figs

  15. Hydrogen

    Directory of Open Access Journals (Sweden)

    John O’M. Bockris

    2011-11-01

    Full Text Available The idea of a “Hydrogen Economy” is that carbon containing fuels should be replaced by hydrogen, thus eliminating air pollution and growth of CO2 in the atmosphere. However, storage of a gas, its transport and reconversion to electricity doubles the cost of H2 from the electrolyzer. Methanol made with CO2 from the atmosphere is a zero carbon fuel created from inexhaustible components from the atmosphere. Extensive work on the splitting of water by bacteria shows that if wastes are used as the origin of feed for certain bacteria, the cost for hydrogen becomes lower than any yet known. The first creation of hydrogen and electricity from light was carried out in 1976 by Ohashi et al. at Flinders University in Australia. Improvements in knowledge of the structure of the semiconductor-solution system used in a solar breakdown of water has led to the discovery of surface states which take part in giving rise to hydrogen (Khan. Photoelectrocatalysis made a ten times increase in the efficiency of the photo production of hydrogen from water. The use of two electrode cells; p and n semiconductors respectively, was first introduced by Uosaki in 1978. Most photoanodes decompose during the photoelectrolysis. To avoid this, it has been necessary to create a transparent shield between the semiconductor and its electronic properties and the solution. In this way, 8.5% at 25 °C and 9.5% at 50 °C has been reached in the photo dissociation of water (GaP and InAs by Kainthla and Barbara Zeleney in 1989. A large consortium has been funded by the US government at the California Institute of Technology under the direction of Nathan Lewis. The decomposition of water by light is the main aim of this group. Whether light will be the origin of the post fossil fuel supply of energy may be questionable, but the maximum program in this direction is likely to come from Cal. Tech.

  16. Quantum chemical simulation of hydrogen like states in silicon and diamond

    International Nuclear Information System (INIS)

    Gel'fand, R.B.; Gordeev, V.A.; Gorelkinskij, Yu.V.

    1989-01-01

    The quantum-chemical methods of the complete neglect of differential overlap (CNDO) and intermediate neglect of differential overlap (INDO) are used to calculate the electronic structure of atomic hydrogen (muonium) located at different interstital sites of the silicon and diamond crystal lattices. The electronic g- and hyperfine interaction tensors of the impure atom are determined.The results obtained are compared with the experimental data on the 'normal' (Mu') and 'anomalous' (Mu * ) muonium centers as well as on the hydrogen-bearing Si-AA9 EPR center which is a hydrogen-bearing analogue of (Mu * ). The most likely localization sites for hydrogen (muonium) atoms in silicon and diamond crystals are established. 22 refs

  17. Hydrogen and fuel cells in the United States Congress

    International Nuclear Information System (INIS)

    Yacobucci, B.D.

    2003-01-01

    Over the past few years, the United States Congress has shown increasing interest in the development of hydrogen fuel and fuel cells for transportation, stationary, and mobile applications The high efficiency of fuel cell systems could address some of the concern over increasing dependence on imported petroleum. Further, lower emissions could help promote air quality goals However, many questions remain, including the affordability, safety, overall fuel-cycle efficiency and emissions. These questions, especially those related to cost, have led Members of Congress to enact legislation to speed the development and commercialization of the technologies. This paper discusses congressional action on hydrogen and fuel cells. It provides an overview of the U.S. Congress, and outlines the role of the appropriations process. It then provides a history of federal hydrogen fuel research and development (R and D), both in terms of legislative and executive initiatives, and it describes pending legislation current as of this writing, including bills on energy policy, transportation policy, tax policy, and appropriations. Finally, the paper presents some of the issues that the pending legislation may raise for industry. (author)

  18. Hydrogenation of passivated contacts

    Energy Technology Data Exchange (ETDEWEB)

    Nemeth, William; Yuan, Hao-Chih; LaSalvia, Vincenzo; Stradins, Pauls; Page, Matthew R.

    2018-03-06

    Methods of hydrogenation of passivated contacts using materials having hydrogen impurities are provided. An example method includes applying, to a passivated contact, a layer of a material, the material containing hydrogen impurities. The method further includes subsequently annealing the material and subsequently removing the material from the passivated contact.

  19. Gate-modulated conductance of few-layer WSe2 field-effect transistors in the subgap regime: Schottky barrier transistor and subgap impurity states

    International Nuclear Information System (INIS)

    Wang, Junjie; Feng, Simin; Rhodes, Daniel; Balicas, Luis; Nguyen, Minh An T.; Watanabe, K.; Taniguchi, T.; Mallouk, Thomas E.; Terrones, Mauricio; Zhu, J.

    2015-01-01

    Two key subjects stand out in the pursuit of semiconductor research: material quality and contact technology. The fledging field of atomically thin transition metal dichalcogenides (TMDCs) faces a number of challenges in both efforts. This work attempts to establish a connection between the two by examining the gate-dependent conductance of few-layer (1-5L) WSe 2 field effect devices. Measurements and modeling of the subgap regime reveal Schottky barrier transistor behavior. We show that transmission through the contact barrier is dominated by thermionic field emission (TFE) at room temperature, despite the lack of intentional doping. The TFE process arises due to a large number of subgap impurity states, the presence of which also leads to high mobility edge carrier densities. The density of states of such impurity states is self-consistently determined to be approximately 1–2 × 10 13 /cm 2 /eV in our devices. We demonstrate that substrate is unlikely to be a major source of the impurity states and suspect that lattice defects within the material itself are primarily responsible. Our experiments provide key information to advance the quality and understanding of TMDC materials and electrical devices

  20. Gate-modulated conductance of few-layer WSe{sub 2} field-effect transistors in the subgap regime: Schottky barrier transistor and subgap impurity states

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Junjie; Feng, Simin [Department of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Rhodes, Daniel; Balicas, Luis [National High Magnetic Field Lab, Florida State University, Tallahassee, Florida 32310 (United States); Nguyen, Minh An T. [Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Watanabe, K.; Taniguchi, T. [National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044 (Japan); Mallouk, Thomas E. [Department of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Department of Biochemistry and Molecular Biology, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Terrones, Mauricio [Department of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Center for 2-Dimensional and Layered Materials, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Zhu, J., E-mail: jzhu@phys.psu.edu [Department of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Center for 2-Dimensional and Layered Materials, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

    2015-04-13

    Two key subjects stand out in the pursuit of semiconductor research: material quality and contact technology. The fledging field of atomically thin transition metal dichalcogenides (TMDCs) faces a number of challenges in both efforts. This work attempts to establish a connection between the two by examining the gate-dependent conductance of few-layer (1-5L) WSe{sub 2} field effect devices. Measurements and modeling of the subgap regime reveal Schottky barrier transistor behavior. We show that transmission through the contact barrier is dominated by thermionic field emission (TFE) at room temperature, despite the lack of intentional doping. The TFE process arises due to a large number of subgap impurity states, the presence of which also leads to high mobility edge carrier densities. The density of states of such impurity states is self-consistently determined to be approximately 1–2 × 10{sup 13}/cm{sup 2}/eV in our devices. We demonstrate that substrate is unlikely to be a major source of the impurity states and suspect that lattice defects within the material itself are primarily responsible. Our experiments provide key information to advance the quality and understanding of TMDC materials and electrical devices.

  1. Partial radiative recombination cross sections for excited states of hydrogen

    International Nuclear Information System (INIS)

    Fazio, P.M.

    1984-01-01

    In calculating the radiative recombination cross sections for interstellar H II regions, usually only the electric dipole term in the expansion of the interaction Hamiltonian is kept. The dipole and quadrupole transition strengths in closed analytical form are calculated here using the Coulomb wave functions because results for any electron energy and for recombination into any angular momentum state of hydrogen are needed. Several interesting effects are found. First, the transition probabilities are maximum for recombination into specific intermediate angular momentum states at low energies (w < 2eV) and where the free state angular momentum is greater than that of the bound state. Further, that specific intermediate angular momentum state depends on the kinetic energy of the free electron. This behavior is in contrast to the normal behavior of the transition strengths where recombination into s states is greatest and decreases with increasing angular momentum. Second, the quadrupole matrix elements vanish for certain velocities of the free electron. This leads to minima in the corresponding quadrupole cross sections when plotted as a function of the free electron's kinetic energy. Finally, the partial cross sections for highly excited states are greater than previously calculated because of the additional effects of the quadrupole transitions

  2. Hydrogen generation, distribution and combustion under severe LWR accident conditions: a state-of-technology report

    International Nuclear Information System (INIS)

    Postma, A.K.; Hilliard, R.K.

    1983-03-01

    This report reviews the current state of technology regarding hydrogen safety issues in light water reactor plants. Topics considered in this report include hydrogen generation, distribution in containment, and combustion characteristics. A companion report addresses hydrogen control. The objectives of the study were to identify the key safety issues related to hydrogen produced under severe accident conditions, to describe the state of technology for each issue, and to point out ongoing programs aimed at resolving the open issues

  3. Mobile impurities in ferromagnetic liquids

    Science.gov (United States)

    Kantian, Adrian; Schollwoeck, Ulrich; Giamarchi, Thierry

    2011-03-01

    Recent work has shown that mobile impurities in one dimensional interacting systems may exhibit behaviour that differs strongly from that predicted by standard Tomonaga-Luttinger liquid theory, with the appearance of power-law divergences in the spectral function signifying sublinear diffusion of the impurity. Using time-dependent matrix product states, we investigate a range of cases of mobile impurities in systems beyond the analytically accessible examples to assess the existence of a new universality class of low-energy physics in one-dimensional systems. Correspondence: Adrian.Kantian@unige.ch This work was supported in part by the Swiss SNF under MaNEP and division II.

  4. Impurity binding energy of lowest-excited state in (In,Ga)N–GaN spherical QD under electric field effect

    International Nuclear Information System (INIS)

    Ghazi, Haddou El; Jorio, Anouar; Zorkani, Izeddine

    2013-01-01

    External electric field effect on the lowest-excited state in wurtzite (In,Ga)N–GaN spherical quantum dot is considered. By means of a traditional Ritz variational method within the effective-mass approximation and finite potential barrier, the lowest-excited state energy with and without the presence of the impurity is investigated. The normalized binding energy under electric field effect is also performed. Our numerical results are compared with the previous theoretical findings and show a good agreement with those concerning especially the ground-state for different semiconductors materials and different QDs-shapes

  5. Impurity binding energy of lowest-excited state in (In,Ga)N–GaN spherical QD under electric field effect

    Energy Technology Data Exchange (ETDEWEB)

    Ghazi, Haddou El, E-mail: hadghazi@gmail.com [LPS, Faculty of Sciences, Dhar EL Mehrez, B.P 1796 Atlas, Fez (Morocco); Special Mathematics, CPGE Kénitra (Morocco); Jorio, Anouar; Zorkani, Izeddine [LPS, Faculty of Sciences, Dhar EL Mehrez, B.P 1796 Atlas, Fez (Morocco)

    2013-10-01

    External electric field effect on the lowest-excited state in wurtzite (In,Ga)N–GaN spherical quantum dot is considered. By means of a traditional Ritz variational method within the effective-mass approximation and finite potential barrier, the lowest-excited state energy with and without the presence of the impurity is investigated. The normalized binding energy under electric field effect is also performed. Our numerical results are compared with the previous theoretical findings and show a good agreement with those concerning especially the ground-state for different semiconductors materials and different QDs-shapes.

  6. Low Z impurity transport in tokamaks

    International Nuclear Information System (INIS)

    Hawryluk, R.J.; Suckewer, S.; Hirshman, S.P.

    1978-10-01

    Low Z impurity transport in tokamaks was simulated with a one-dimensional impurity transport model including both neoclassical and anomalous transport. The neoclassical fluxes are due to collisions between the background plasma and impurity ions as well as collisions between the various ionization states. The evaluation of the neoclassical fluxes takes into account the different collisionality regimes of the background plasma and the impurity ions. A limiter scrapeoff model is used to define the boundary conditions for the impurity ions in the plasma periphery. In order to account for the spectroscopic measurements of power radiated by the lower ionization states, fluxes due to anomalous transport are included. The sensitivity of the results to uncertainties in rate coefficients and plasma parameters in the periphery are investigated. The implications of the transport model for spectroscopic evaluation of impurity concentrations, impurity fluxes, and radiated power from line emission measurements are discussed

  7. Analysis of trace levels of impurities and hydrogen isotopes in helium purge gas using gas chromatography for tritium extraction system of an Indian lead lithium ceramic breeder test blanket module.

    Science.gov (United States)

    Devi, V Gayathri; Sircar, Amit; Yadav, Deepak; Parmar, Jayraj

    2018-01-12

    In the fusion fuel cycle, the accurate analysis and understanding of the chemical composition of any gas mixture is of great importance for the efficient design of a tritium extraction and purification system or any tritium handling system. Methods like laser Raman spectroscopy and gas chromatography with thermal conductivity detector have been considered for hydrogen isotopes analyses in fuel cycles. Gas chromatography with a cryogenic separation column has been used for the analysis of hydrogen isotopes gas mixtures in general due to its high reliability and ease of operation. Hydrogen isotopes gas mixture analysis with cryogenic columns has been reported earlier using different column materials for percentage level composition. In the present work, trace levels of hydrogen isotopes (∼100 ppm of H 2 and D 2 ) have been analyzed with a Zeolite 5A and a modified γ-Al 2 O 3 column. Impurities in He gas (∼10 ppm of H 2 , O 2 , and N 2 ) have been analyzed using a Zeolite 13-X column. Gas chromatography with discharge ionization detection has been utilized for this purpose. The results of these experiments suggest that the columns developed were able to separate ppm levels of the desired components with a small response time (<6 min) and good resolution in both cases. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Roles Prioritization of Hydrogen Production Technologies for Promoting Hydrogen Economy in the Current State of China

    DEFF Research Database (Denmark)

    Ren, Jingzheng; Gao, Suzhao; Tan, Shiyu

    2015-01-01

    Hydrogen production technologies play an important role in the hydrogen economy of China. However, the roles of different technologies played in promoting the development of hydrogen economy are different. The role prioritization of various hydrogen production technologies is of vital importance...... information. The prioritization results by using the proposed method demonstrated that the technologies of coal gasification with CO2 capture and storage and hydropower-based water electrolysis were regarded as the two most important hydrogen production pathways for promoting the development of hydrogen...... for the stakeholders/decision-makers to plan the development of hydrogen economy in China and to allocate the finite R&D budget reasonably. In this study, DPSIR framework was firstly used to identify the key factors concerning the priorities of various hydrogen production technologies; then, a fuzzy group decision...

  9. Detection of Multiconfigurational States of Hydrogen-Passivated Silicene Nanoclusters.

    Science.gov (United States)

    Pablo-Pedro, Ricardo; Lopez-Rios, Hector; Fomine, Serguei; Dresselhaus, Mildred S

    2017-02-02

    Utilizing density functional theory (DFT) and a complete active space self-consistent field (CASSCF) approach,we study the electronic properties of rectangular silicene nano clusters with hydrogen passivated edges denoted by H-SiNCs (n z ,n a ), with n z and n a representing the zigzag and armchair directions, respectively. The results show that in the n z direction, the H-SiNCs prefer to be in a singlet (S = 0) ground state for n z > n a . However, a transition from a singlet (S = 0) to a triplet (S = 1) ground state is revealed for n a > n z . Through the calculated Raman spectrum, the S = 0 and S = 1 ground states can be observed by the E 2g (G) and A (D) Raman modes. Furthermore, H-SiNC clusters are shown to have HOMO-LUMO (HL) energy gaps, which decrease as a function of n a and n z for S = 0 and S = 1 states. The H-SiNC with a S = 1 ground state can be potentially used for silicene-based spintronic devices.

  10. Detection of Multiconfigurational States of Hydrogen-Passivated Silicene Nanoclusters

    KAUST Repository

    Pablo-Pedro, Ricardo; Lopez-Rios, Hector; Fomine, Serguei; Dresselhaus, Mildred S.

    2017-01-01

    Utilizing density functional theory (DFT) and a complete active space self-consistent field (CASSCF) approach,we study the electronic properties of rectangular silicene nano clusters with hydrogen passivated edges denoted by H-SiNCs (nz,na), with nz and na representing the zigzag and armchair directions, respectively. The results show that in the nz direction, the H-SiNCs prefer to be in a singlet (S = 0) ground state for nz > na. However, a transition from a singlet (S = 0) to a triplet (S = 1) ground state is revealed for na > nz. Through the calculated Raman spectrum, the S = 0 and S = 1 ground states can be observed by the E2g (G) and A (D) Raman modes. Furthermore, H-SiNC clusters are shown to have HOMO–LUMO (HL) energy gaps, which decrease as a function of na and nz for S = 0 and S = 1 states. The H-SiNC with a S = 1 ground state can be potentially used for silicene-based spintronic devices.

  11. Detection of Multiconfigurational States of Hydrogen-Passivated Silicene Nanoclusters

    KAUST Repository

    Pablo-Pedro, Ricardo

    2017-01-16

    Utilizing density functional theory (DFT) and a complete active space self-consistent field (CASSCF) approach,we study the electronic properties of rectangular silicene nano clusters with hydrogen passivated edges denoted by H-SiNCs (nz,na), with nz and na representing the zigzag and armchair directions, respectively. The results show that in the nz direction, the H-SiNCs prefer to be in a singlet (S = 0) ground state for nz > na. However, a transition from a singlet (S = 0) to a triplet (S = 1) ground state is revealed for na > nz. Through the calculated Raman spectrum, the S = 0 and S = 1 ground states can be observed by the E2g (G) and A (D) Raman modes. Furthermore, H-SiNC clusters are shown to have HOMO–LUMO (HL) energy gaps, which decrease as a function of na and nz for S = 0 and S = 1 states. The H-SiNC with a S = 1 ground state can be potentially used for silicene-based spintronic devices.

  12. Hydrogen in trapping states innocuous to environmental degradation of high-strength steels

    International Nuclear Information System (INIS)

    Takai, Kenichi

    2003-01-01

    Hydrogen in trapping states innocuous to environmental degradation of the mechanical properties of high-strength steels has been separated and extracted using thermal desorption analysis (TDA) and slow strain rate test (SSRT). The high-strength steel occluding only hydrogen desorbed at low temperature (peak 1), as determined by TDA, decreases in maximum stress and plastic elongation with increasing occlusion time of peak 1 hydrogen. Thus the trapping state of peak 1 hydrogen is directly associated with environmental degradation. The trap activation energy for peak 1 hydrogen is 23.4 kJ/mol, so the peak 1 hydrogen corresponds to weaker binding states and diffusible states at room temperature. In contrast, the high-strength steel occluding only hydrogen desorbed at high temperature (peak 2), by TDA, maintains the maximum stress and plastic elongation in spite of an increasing content of peak 2 hydrogen. This result indicates that the peak 2 hydrogen trapping state is innocuous to environmental degradation, even though the steel occludes a large amount of peak 2 hydrogen. The trap activation energy for peak 2 hydrogen is 65.0 kJ/mol, which indicates a stronger binding state and nondiffusibility at room temperature. The trap activation energy for peak 2 hydrogen suggests that the driving force energy required for stress-induced, diffusion during elastic and plastic deformation, and the energy required for hydrogen dragging by dislocation mobility during plastic deformation are lower than the binding energy between hydrogen and trapping sites. The peak 2 hydrogen, therefore, is believed to not accumulate in front of the crack tip and to not cause environmental degradation in spite of being present in amounts as high as 2.9 mass ppm. (author)

  13. Combined Solid State and High Pressure Hydrogen Storage

    DEFF Research Database (Denmark)

    Grube, Elisabeth; Jensen, Torben René

    Presented at The First European Early Stage Researcher's Conference on Hydrogen Storage in Belgrade, Serbia.......Presented at The First European Early Stage Researcher's Conference on Hydrogen Storage in Belgrade, Serbia....

  14. Understanding of impurity behavior in SST-1 plasmas using visible spectroscopy

    International Nuclear Information System (INIS)

    Manchanda, Ranjana; Ramaiya, Nilam; Chowdhuri, Malay Bikas; Banerjee, Santanu; Ghosh, Joydeep

    2015-01-01

    Studies of impurity behavior in SST-1 plasma have been carried out using visible spectroscopic systems installed on the tokomak. This has been carried out using a low resolution and broadband survey spectrometer covering a 350-900 nm wavelength range, 0.5 m visible spectrometer having 600 and 1200 grooves/mm grating coupled with CCD camera and interference filter and photomultiplier (PMT) tube based systems. Temporal evolution of the hydrogen (H α , H β ) and impurities emissions like, C II, C III, O I, O II, O III, O V and a visible Continuum at 536.0 nm have been monitored using the PMT based system to understand impurity charge state evolution during plasma discharges. All systems are absolutely calibrated for impurity influx and plasma parameter estimations. Observed spectral lines in the visible range have been identified to recognize the presence of various impurities in the SST-1 plasmas. Comparison of impurities emission has been made for different plasma currents and toroidal magnetic fields. An analysis has been carried out to understand the impurities activities in plasmas of SST-1 tokomak in presence and absence of installed plasma facing components (PFC). Significantly higher carbon emissions have been observed indicating higher carbon content in the plasma with graphite PFCs installed. (author)

  15. The effect of dielectric constant on binding energy and impurity self-polarization in a GaAs-Ga1- x Al x As spherical quantum dot

    Science.gov (United States)

    Mese, A. I.; Cicek, E.; Erdogan, I.; Akankan, O.; Akbas, H.

    2017-03-01

    The ground state, 1s, and the excited state, 2p, energies of a hydrogenic impurity in a GaAs-Ga1- x Al x As spherical quantum dot, are computed as a function of the donor positions. We study how the impurity self-polarization depends on the location of the impurity and the dielectric constant. The excited state anomalous impurity self-polarization in the quantum dot is found to be present in the absence of any external influence and strongly depends on the impurity position and the radius of the dot. Therefore, the excited state anomalous impurity self-polarization can give information about the impurity position in the system. Also, the variation of E_{b1s} and E_{b2p} with the dielectric constant can be utilized as a tool for finding out the correct dielectric constant of the dot material by measuring the 1s or 2p state binding energy for a fixed dot radius and a fixed impurity position.

  16. The impurity transport in HT-6M tokamak

    International Nuclear Information System (INIS)

    Xu Wei; Wan Baonian; Xie Jikang

    2003-01-01

    The space-time profile of impurities has been measured with a multichannel visible spectroscopic detect system and UV rotation-mirror system in the HT-6M tokamak. An ideal impurity transport code has been used to simulate impurities (carbon and oxygen) behaviour during the OHM discharge. The profiles of impurities diffusion and convection coefficient, impurities ion densities in different ionized state, loss power density and effective charge number have been derived. The impurity behaviour during low-hybrid current drive has also been analyzed, the results show that the confinement of particles, impurities and energy has been improved, and emission power and effective charge number have been reduced

  17. Muonic-hydrogen molecular bound states, quasibound states, and resonances in the Born-Oppenheimer approximation

    International Nuclear Information System (INIS)

    Jackson, J.D.

    1994-01-01

    The Born-Oppenheimer approximation is used as an exploratory tool to study bound states, quasibound states, and scattering resonances in muon (μ)--hydrogen (x)--hydrogen (y) molecular ions. Our purpose is to comment on the existence and nature of the narrow states reported in three-body calculations, for L=0 and 1, at approximately 55 eV above threshold and the family of states in the same partial waves reported about 1.9 keV above threshold. We first discuss the motivation for study of excited states beyond the well-known and well-studied bound states. Then we reproduce the energies and other properties of these well-known states to show that, despite the relatively large muon mass, the Born-Oppenheimer approximation gives a good, semiquantitative description containing all the essential physics. Born-Oppenheimer calculations of the s- and p-wave scattering of d-(dμ), d-(tμ), and t-(tμ) are compared with the accurate three-body results, again with general success. The places of disagreement are understood in terms of the differences in location of slightly bound (or unbound) states in the Born-Oppenheimer approximation compared to the accurate three-body calculations

  18. Numerology, hydrogenic levels, and the ordering of excited states in one-electron atoms

    Science.gov (United States)

    Armstrong, Lloyd, Jr.

    1982-03-01

    We show that the observed ordering of Rydberg states of one-electron atoms can be understood by assuming that these states are basically hydrogenic in nature. Much of the confusion concerning this point is shown to arise from the failure to differentiate between hydrogenic ordering as the nuclear charge approaches infinity, and hydrogenic ordering for an effective charge of one. The origin of κ ordering of Rydberg levels suggested by Sternheimer is considered within this picture, and the predictions of κ ordering are compared with those obtained by assuming hydrogenic ordering.

  19. Complexity of Quantum Impurity Problems

    Science.gov (United States)

    Bravyi, Sergey; Gosset, David

    2017-12-01

    We give a quasi-polynomial time classical algorithm for estimating the ground state energy and for computing low energy states of quantum impurity models. Such models describe a bath of free fermions coupled to a small interacting subsystem called an impurity. The full system consists of n fermionic modes and has a Hamiltonian {H=H_0+H_{imp}}, where H 0 is quadratic in creation-annihilation operators and H imp is an arbitrary Hamiltonian acting on a subset of O(1) modes. We show that the ground energy of H can be approximated with an additive error {2^{-b}} in time {n^3 \\exp{[O(b^3)]}}. Our algorithm also finds a low energy state that achieves this approximation. The low energy state is represented as a superposition of {\\exp{[O(b^3)]}} fermionic Gaussian states. To arrive at this result we prove several theorems concerning exact ground states of impurity models. In particular, we show that eigenvalues of the ground state covariance matrix decay exponentially with the exponent depending very mildly on the spectral gap of H 0. A key ingredient of our proof is Zolotarev's rational approximation to the {√{x}} function. We anticipate that our algorithms may be used in hybrid quantum-classical simulations of strongly correlated materials based on dynamical mean field theory. We implemented a simplified practical version of our algorithm and benchmarked it using the single impurity Anderson model.

  20. Effect of impurities in the electrothermic instability

    International Nuclear Information System (INIS)

    Azevedo, M.T. de.

    1982-04-01

    It is proposed a model for a ''impure'' plasma based on the homogenous hydrogen plasma used in the theory formulated by Tomimura and Haines to explain the increasing of instable electrothermal modes with wave vector perpendicular to the applyed magnetic field. The impurities are implicity introduced in the transport coeficients of the model of two fluids through the effective charge number Z eff as suggested by Duechs et al., Furth etc... The results obtained are: (i) the greatest increasing ratio for the absolute mode (non-convective) decreases with the increasing of Z eff going to zero for a given value of these parameter which is denominated Z crit ; (ii) the wavelenght associated with that greatest ratio of increasing decreases with the increasing of Z eff ; (iii) Z crit x T eo /T io curves, where T eo and T io are the electronic and ionic temperatures of equilibri um show that, for each value of T eo (used as a parameter) there is a limiting value Z crit from which the plasma is stable, independently of the temperature ratio. The correlation of these results with that of a difuse pinch model, which shows the tendency in assume in the stationary state a filamental current structure is inconclusive with respect to the Z eff dependence. (M.W.O.) [pt

  1. BWR water chemistry impurity studies

    International Nuclear Information System (INIS)

    Ljungberg, L.G.; Korhonen, S.; Renstroem, K.; Hofling, C.G.; Rebensdorff, B.

    1990-03-01

    Laboratory studies were made on the effect of water impurities on environmental cracking in simulated BWR water of stainless steel, low alloy steel and nickel-base alloys. Constant elongation rate tensile (CERT) tests were run in simulated normal water chemistry (NWC), hydrogen water chemistry (HWC), or start-up environment. Sulfate, chloride and copper with chloride added to the water at levels of a fraction of a ppM were found to be extremely deleterious to all kinds of materials except Type 316 NG. Other detrimental impurities were fluoride, silica and some organic acids, although acetic acid was beneficial. Nitrate and carbon dioxide were fairly inoccuous. Corrosion fatigue and constant load tests on compact tension specimens were run in simulated normal BWR water chemistry (NWC) or hydrogen water chemistry (HWC), without impurities or with added sulfate or carbon dioxide. For sensitized Type 304 SS in NWC, 0.1 ppM sulfate increased crack propagation rates in constant load tests by up to a factor of 100, and in fatigue tests up to a factor of 10. Also, cracking in Type 316 nuclear grade SS and Alloy 600 was enhanced, but to a smaller degree. Carbon dioxide was less detrimental than sulfate. 3 figs., 4 tabs

  2. Infrared studies of ortho-para conversion at Cl-atom and H-atom impurity centers in cryogenic solid hydrogen

    International Nuclear Information System (INIS)

    Raston, P.L.; Kettwich, S.C.; Anderson, D.T.

    2010-01-01

    We report infrared spectroscopic studies of H 2 ortho-para (o/p) conversion in solid hydrogen doped with Cl-atoms at 2 K while the Cl + H 2 (υ = 1) → HCl + H infrared-induced chemical reaction is occurring. The Cl-atom doped hydrogen crystals are synthesized using 355 nm in situ photodissociation of Cl 2 precursor molecules. For hydrogen solids with high ortho-H 2 fractional concentrations (X o = 0.55), the o/p conversion kinetics is dominated by Cl-atom catalyzed conversion with a catalyzed conversion rate constant K cc = 1.16(11) min -1 and the process is rate-limited by ortho-H 2 quantum diffusion. For hydrogen crystals with low ortho-H2 concentrations (X o = 0.03), single-exponential decay of the ortho-H 2 concentration with time is observed which is attributed to H-atom catalyzed o/p conversion by the H-atoms produced during the infrared-induced Cl + H 2 reaction. The measured H-atom catalyzed o/p conversion kinetics indicates the H-atoms are mobile under these conditions in agreement with previous ESR measurements.

  3. Hydrogen storage in clathrate hydrates: Current state of the art and future directions

    International Nuclear Information System (INIS)

    Veluswamy, Hari Prakash; Kumar, Rajnish; Linga, Praveen

    2014-01-01

    Hydrogen is looked upon as the next generation clean energy carrier, search for an efficient material and method for storing hydrogen has been pursued relentlessly. Improving hydrogen storage capacity to meet DOE targets has been challenging and research efforts are continuously put forth to achieve the set targets and to make hydrogen storage a commercially realizable process. This review comprehensively summarizes the state of the art experimental work conducted on the storage of hydrogen as hydrogen clathrates both at the molecular level and macroscopic level. It identifies future directions and challenges for this exciting area of research. Hydrogen storage capacities of different clathrate structures – sI, sII, sH, sVI and semi clathrates have been compiled and presented. In addition, promising new approaches for increasing hydrogen storage capacity have been described. Future directions for achieving increased hydrogen storage and process scale up have been outlined. Despite few limitations in storing hydrogen in the form of clathrates, this domain receives prominent attention due to more environmental-friendly method of synthesis, easy recovery of molecular hydrogen with minimum energy requirement, and improved safety of the process

  4. Ground state structures and properties of small hydrogenated silicon

    Indian Academy of Sciences (India)

    Unknown

    To understand the structural evolutions and properties of silicon cluster due to hydrogenation ... partly due to the growing importance of these systems in applications like .... of the system. Using the Lagrangian (1), equations of motions for the.

  5. FY 1974 report on the results of the Sunshine Project. Study on a system to refine/transport/store hydrogen and the safety technology (Investigational study of behavior of trace impurities in the liquefaction process); 1974 nendo suiso no seisei, yuso, chozo system oyobi hoan gijutsu ni kansuru kenkyu seika hokokusho. Ekika katei ni okeru biryo fujunbutsu no kyodo ni kansuru chosa kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1975-05-28

    Hydrogen gas as material is produced mostly by steam reforming of hydrocarbons, and includes a considerable amount of impurities such as carbon dioxide, nitrogen and oxygen. The concentration of impurities in the refined gas is approximately 1ppm. In the liquefaction process of hydrogen liquefaction plant, the gases entering the low temperature portion near the free expansion valve (J-T valve) are mostly oxygen and nitrogen. When oxygen is solidified, attached, accumulated near J-T valve, it incurs a possibility of exploding for reason of impact force, etc. by contact with the valve portion. A mixture of hydrogen and oxygen ignites at the minimum value of approximately 0.02 milli-joule, and therefore it has great danger of explosion. As viewed from a point of danger prevention, there is a possibility of explosion when the hydrogen-oxidizing agent mixture is formed. Accordingly, it is necessary to conduct an experiment for confirming the explosion at J-T valve portion. From viewpoints of prevention of explosion accident and running operation, it is necessary to experimentally grasp the definite allowable oxygen concentration. Further, it is necessary to establish a technology to continuously and accurately measure the concentration of trace impurities in hydrogen gas. (NEDO)

  6. State of the art of biological hydrogen production processes

    International Nuclear Information System (INIS)

    Loubette, N.; Junker, M.

    2006-01-01

    Our report gives an overview of hydrogen production processes with bacteria or algae. 4 main processes are described: water biophotolysis, photo- fermentation biological CO conversion and dark fermentation. Chemical phenomena which lead to hydrogen generation are exp/aired. Performances, limits and outlook are given for each process. Main projects, programs and key players involved in this field of research have been listed. This paper resumes few results of this report. (authors)

  7. State of the art of biological hydrogen production processes

    International Nuclear Information System (INIS)

    Nicolas Loubette; Michel Junker

    2006-01-01

    Our report gives an overview of hydrogen production processes with bacteria or algae. 4 main processes are described: water bio-photolysis, photo-fermentation biological CO conversion and dark fermentation. Chemical phenomena which lead to hydrogen generation are explained. Performances, limits and outlook are given for each process. Main projects, programs and key players involved in this field of research have been listed. This paper resumes few results of this report. (authors)

  8. Interpretation of plasma impurity deposition probes. Analytic approximation

    Science.gov (United States)

    Stangeby, P. C.

    1987-10-01

    Insertion of a probe into the plasma induces a high speed flow of the hydrogenic plasma to the probe which, by friction, accelerates the impurity ions to velocities approaching the hydrogenic ion acoustic speed, i.e., higher than the impurity ion thermal speed. A simple analytic theory based on this effect provides a relation between impurity fluxes to the probe Γimp and the undisturbed impurity ion density nimp, with the hydrogenic temperature and density as input parameters. Probe size also influences the collection process and large probes are found to attract a higher flux density than small probes in the same plasma. The quantity actually measured, cimp, the impurity atom surface density (m-2) net-deposited on the probe, is related to Γimp and thus to nimp by taking into account the partial removal of deposited material caused by sputtering and the redeposition process.

  9. Sodium sampling and impurities determination

    International Nuclear Information System (INIS)

    Docekal, J.; Kovar, C.; Stuchlik, S.

    1980-01-01

    Samples may be obtained from tubes in-built in the sodium facility and further processed or they are taken into crucibles, stored and processed later. Another sampling method is a method involving vacuum distillation of sodium, thus concentrating impurities. Oxygen is determined by malgamation, distillation or vanadium balance methods. Hydrogen is determined by the metal diaphragm extraction, direct extraction or amalgamation methods. Carbon is determined using dry techniques involving burning a sodium sample at 1100 degC or using wet techniques by dissolving the sample with an acid. Trace amounts of metal impurities are determined after dissolving sodium in ethanol. The trace metals are concentrated and sodium excess is removed. (M.S.)

  10. Generalized transition state theory. Quantum effects for collinear reactions of hydrogen molecules and isotopically substituted hydrogen molecules

    International Nuclear Information System (INIS)

    Garrett, B.C.; Truhlar, D.G.

    1979-01-01

    Canonical variational transition state theory, microcanonical variational transition state theory, and Miller's unified statistical theory were used in an attempt to correct two major deficiencies of the conventional transition state theory. These are: (1) the necessity of extra assumptions to include quantum mechanical tunneling effects and (2) the fundamental assumption that trajectories crossing a dividing surface in phase space proceed directly to products. The accuracy of these approximate methods were tested by performing calculations for several collinear reactions of hydrogen, deuterium, chlorine, or iodine, with five isotopes of hydrogen molecules and comparison of these results with those from accurate quantitative calculations of the reaction probabilities as functions of energy and of the thermal rate constants as functions of temperature. 49 references, 28 figures, 17 tables

  11. Ab initio molecular dynamics simulation of hydrogen fluoride at several thermodynamic states

    DEFF Research Database (Denmark)

    Kreitmeir, M.; Bertagnolli, H.; Mortensen, Jens Jørgen

    2003-01-01

    Liquid hydrogen fluoride is a simple but interesting system for studies of the influence of hydrogen bonds on physical properties. We have performed ab initio molecular dynamics simulations of HF at several thermodynamic states, where we examine the microscopic structure of the liquid as well...

  12. Impurity bubbles in a BEC

    Science.gov (United States)

    Timmermans, Eddy; Blinova, Alina; Boshier, Malcolm

    2013-05-01

    Polarons (particles that interact with the self-consistent deformation of the host medium that contains them) self-localize when strongly coupled. Dilute Bose-Einstein condensates (BECs) doped with neutral distinguishable atoms (impurities) and armed with a Feshbach-tuned impurity-boson interaction provide a unique laboratory to study self-localized polarons. In nature, self-localized polarons come in two flavors that exhibit qualitatively different behavior: In lattice systems, the deformation is slight and the particle is accompanied by a cloud of collective excitations as in the case of the Landau-Pekar polarons of electrons in a dielectric lattice. In natural fluids and gases, the strongly coupled particle radically alters the medium, e.g. by expelling the host medium as in the case of the electron bubbles in superfluid helium. We show that BEC-impurities can self-localize in a bubble, as well as in a Landau-Pekar polaron state. The BEC-impurity system is fully characterized by only two dimensionless coupling constants. In the corresponding phase diagram the bubble and Landau-Pekar polaron limits correspond to large islands separated by a cross-over region. The same BEC-impurity species can be adiabatically Feshbach steered from the Landau-Pekar to the bubble regime. This work was funded by the Los Alamos LDRD program.

  13. Hydrogen storage on carbon materials: state of the art

    International Nuclear Information System (INIS)

    D Cazorla Amoros; D Lozano Castello; F Suarez Garcia; M Jorda Beneytoa; A Linares Solano

    2005-01-01

    Full text of publication follows: From an economic point of view, the use of hydrogen could revolutionize energy and transportation markets, what generates a great interest towards this fuel. This interest has led to the so-called 'hydrogen economy'. However, the main drawback for the use of hydrogen as transportation fuel or in power generation is the storage of this gas to reach a sufficiently high energy density, which could fit to the goals of the DOE hydrogen plan to automotive fuel cell systems i.e. 62 kg H 2 /m 3 ). [1] A review of both experimental and theoretical studies published on the field of hydrogen storage on carbon materials (nano-tubes, nano-fibers and porous carbons) shows a large dispersion in hydrogen storage values. Although some values have exceeded by far the goals of the DOE [2], other authors assure that it is not feasible the use of carbonaceous materials as hydrogen storage systems [3]. The first objective of this presentation is to analyze some possible reasons of the large values dispersion. The discrepancy among the different theoretical studies can be due to non-realist models or to unsuitable approaches. High results dispersion and low reproducibility of experimental measurements are mostly consequence of experimental errors (as for example, the use of small amount of sample) and/or to the use of non-purified materials. In fact, the main disadvantage of the use of novel carbon materials, such as nano-tubes and nano-fibers, is the unavailability of large amounts of those materials with sufficient purity in order to get both feasible measurements in the laboratory, an their subsequent use in large scale. In addition to these possible reasons of errors, for a better understanding of the large results dispersion, the different mechanism of hydrogen storage, such as hydride formation, hydrogen transfer and hydrogen adsorption will be also reviewed in this presentation. Differently to nano-tubes and nano-fibers, activated carbons are

  14. Hydrogen storage on carbon materials: state of the art

    International Nuclear Information System (INIS)

    Cazorla-Amoros, D.; Lozano-Castello, D.; Suarez-Garcia, F.; Jorda-Beneyto, M.; Linares-Solano, A.

    2005-01-01

    Complete text of publication follows: From an economic point of view, the use of hydrogen could revolutionize energy and transportation markets, what generates a great interest towards this fuel. This interest has led to the so-called 'hydrogen economy'. However, the main drawback for the use of hydrogen as transportation fuel or in power generation is the storage of this gas to reach a sufficiently high energy density, which could fit to the goals of the DOE hydrogen plan to automotive fuel cell systems i.e. 62 kg H 2 /m 3 ) [1]. A review of both experimental and theoretical studies published on the field of hydrogen storage on carbon materials (nano-tubes, nano-fibers and porous cartons) shows a large dispersion in hydrogen storage values. Although some values have exceeded by far the goals of the DOE [2], other authors assure that it is not feasible the use of carbonaceous materials as hydrogen storage systems [3]. The first objective of this presentation is to analyze some possible reasons of the large values dispersion. The discrepancy among the different theoretical studies can be due to non-realist models or to unsuitable approaches. High results dispersion and low reproducibility of experimental measurements are mostly consequence of experimental errors (as for example, the use of small amount of sample) and/or to the use of non-purified materials. In fact, the main disadvantage of the use of novel carbon materials, such as nano-tubes and nano-fibers, is the unavailability of large amounts of those materials with sufficient purity in order to get both feasible measurements in the laboratory, an their subsequent use in large scale. In addition to these possible reasons of errors, for a better understanding of the large results dispersion, the different mechanism of hydrogen storage, such as hydride formation, hydrogen transfer and hydrogen adsorption will be also reviewed in this presentation. Differently to nano-tubes and nano-fibers, activated carbons are

  15. Observations of long impurity confinement times in the ISX tokamak

    Energy Technology Data Exchange (ETDEWEB)

    Burrell, K H; Wong, S K; Muller, III, C H; Hacker, M P [General Atomic Co., San Diego, CA (USA); Ketterer, H E; Isler, R C; Lazarus, E A [Oak Ridge National Lab., TN (USA)

    1981-08-01

    The transport of small amounts of silicon and aluminium injected into plasmas in the Impurity Study Experiment (ISX) tokamak is studied. By monitoring the time behaviour of ultra-violet spectral lines emitted by various charge states of those impurities and comparing this behaviour to the predictions of a multi-species impurity transport code, it is found that both impurity penetration times and impurity containment times are consistent with neoclassical predictions. The observed impurity containment times, which are greater than three times the energy containment time, are consistent with the inward convection predicted by neoclassical theory.

  16. Impurity production and acceleration in CTIX

    Energy Technology Data Exchange (ETDEWEB)

    Buchenauer, D. [Sandia National Laboratories, MS-9161, P.O. Box 969, Livermore, CA 94550 (United States)], E-mail: dabuche@sandia.gov; Clift, W.M. [Sandia National Laboratories, MS-9161, P.O. Box 969, Livermore, CA 94550 (United States); Klauser, R.; Horton, R.D. [CTIX Group, University of California at Davis, Davis, CA 95616 (United States); Howard, S.J. [General Fusion Inc., Burnaby, BC V5A 3H4 (Canada); Brockington, S.J. [HyperV Technologies Corp., Chantilly, VA 20151 (United States); Evans, R.W.; Hwang, D.Q. [CTIX Group, University of California at Davis, Davis, CA 95616 (United States)

    2009-06-15

    The Compact Toroid Injection Experiment (CTIX) produces a high density, high velocity hydrogen plasma that maintains its configuration in free space on a MHD resistive time scale. In order to study the production and acceleration of impurities in the injector, several sets of silicon collector probes were exposed to spheromak-like CT's exiting the accelerator. Elemental analysis by Auger Electron Spectroscopy indicated the presence of O, Al, Fe, and Cu in films up to 200 A thickness (1000 CT interactions). Using a smaller number of CT interactions (10-20), implantation of Fe and Cu was measured by Auger depth profiling. The amount of impurities was found to increase with accelerating voltage and number of CT interactions while use of a solenoidal field reduced the amount. Comparison of the implanted Fe and Cu with TRIM simulations indicated that the impurities were traveling more slowly than the hydrogen CT.

  17. Bound states of hydrogen-like ions in Debye plasma

    International Nuclear Information System (INIS)

    Li Bowen; Jiang Jun; Kang Weimin; Yang Ningxuan; Dong Chenzhong

    2009-01-01

    The plasma screening effects on the energy levels and wave functions of hydrogen-like ions were estimated by using Debye model. The effects on n l(n=1-4, l=0-3) energy levels and wave functions of hydrogen and Fe 25+ ion versus screening lengths λ have been analyzed. Furthermore, the screening effects versus quantum number n and l has been analyzed. The results show that the screening effects increasing as n increasing and decreasing as l increasing. Last, the Eigenergies of isoelectronic series change against screening parameter λ has been discussed, it's shown that the plasma screening effects are decreasing as nuclear charge increasing. (authors)

  18. Renewable Hydrogen Potential from Biogas in the United States

    Energy Technology Data Exchange (ETDEWEB)

    Saur, G.; Milbrandt, A.

    2014-07-01

    This analysis updates and expands upon previous biogas studies to include total potential and net availability of methane in raw biogas with respect to competing demands and includes a resource assessment of four sources of biogas: (1) wastewater treatment plants, including domestic and a new assessment of industrial sources; (2) landfills; (3) animal manure; and (4) a new assessment of industrial, institutional, and commercial sources. The results of the biogas resource assessment are used to estimate the potential production of renewable hydrogen from biogas as well as the fuel cell electric vehicles that the produced hydrogen might support.

  19. Nuclear hydrogen production programme in the United States

    International Nuclear Information System (INIS)

    Sink, C.

    2010-01-01

    The Nuclear Hydrogen Initiative (NHI) is focused on demonstrating the economic, commercial-scale production of hydrogen using process heat derived from nuclear energy. NHI-supported research has concentrated to date on three technologies compatible with the Next Generation Nuclear Plant (NGNP): high temperature steam electrolysis (HTE); sulphur-iodine (S-I) thermochemical; and hybrid sulphur (HyS) thermochemical. In 2009 NHI will down select to a single technology on which to focus its future development efforts, for which the next step will be a pilot-scale experiment. (author)

  20. Review of Solid State Hydrogen Storage Methods Adopting Different Kinds of Novel Materials

    Directory of Open Access Journals (Sweden)

    Renju Zacharia

    2015-01-01

    Full Text Available Overview of advances in the technology of solid state hydrogen storage methods applying different kinds of novel materials is provided. Metallic and intermetallic hydrides, complex chemical hydride, nanostructured carbon materials, metal-doped carbon nanotubes, metal-organic frameworks (MOFs, metal-doped metal organic frameworks, covalent organic frameworks (COFs, and clathrates solid state hydrogen storage techniques are discussed. The studies on their hydrogen storage properties are in progress towards positive direction. Nevertheless, it is believed that these novel materials will offer far-reaching solutions to the onboard hydrogen storage problems in near future. The review begins with the deficiencies of current energy economy and discusses the various aspects of implementation of hydrogen energy based economy.

  1. Hydrogen-control systems for severe LWR accident conditions - a state-of-technology report

    International Nuclear Information System (INIS)

    Hilliard, R.K.; Postma, A.K.; Jeppson, D.W.

    1983-03-01

    This report reviews the current state of technology regarding hydrogen safety issues in light water reactor plants. Topics considered in this report relate to control systems and include combustion prevention, controlled combustion, minimization of combustion effects, combination of control concepts, and post-accident disposal. A companion report addresses hydrogen generation, distribution, and combustion. The objectives of the study were to identify the key safety issues related to hydrogen produced under severe accident conditions, to describe the state of technology for each issue, and to point out ongoing programs aimed at resolving the open issues

  2. Solid state photochemistry. Subpanel A-2(b): Metastability in hydrogenated amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Carlson, D. [Solarex Corporation, Newton, PA (United States)

    1996-09-01

    All device quality amorphous silicon based materials exhibit degradation in electronic properties when exposed to sunlight. The photo-induced defects are associated with Si dangling bonds that are created by the recombination and/or trapping of photogenerated carriers. The defects are metastable and can be annealed out at temperatures of about 150 to 200 degrees Centigrade. The density of metastable defects is larger in films that are contaminated with > 10{sup 19} per cubic cm of impurities such as oxygen, carbon and nitrogen. However, recent experimental results indicate that some metastable defects are still present in films with very low impurity concentrations. The photo-induced defects typically saturate after 100 to 1000 hours of exposure to one sun illumination depending on the deposition conditions. There is also experimental evidence that photo-induced structural changes are occurring in the amorphous silicon based materials and that hydrogen may be playing an important role in both the photo-induced structural changes and in the creation of metastable defects.

  3. Ground state energy of an hydrogen atom confined in carbon nano-structures: a diffusion quantum Monte Carlo study

    International Nuclear Information System (INIS)

    Molayem, M.; Tayebi-Rad, Gh.; Esmaeli, L.; Namiranian, A.; Fouladvand, M. E.; Neek-Amal, M.

    2006-01-01

    Using the diffusion quantum monte Carlo method, the ground state energy of an Hydrogen atom confined in a carbon nano tube and a C60 molecule is calculated. For Hydrogen atom confined in small diameter tubes, the ground state energy shows significant deviation from a free Hydrogen atom, while with increasing the diameter this deviation tends to zero.

  4. Study on state equation for hydrogen storage measurement by volumetric method

    International Nuclear Information System (INIS)

    Dai Wei; Xu Jiajing; Wang Chaoyang; Tang Yongjian

    2014-01-01

    Volumetric measurement technique is one of the most popular methods for determining the amount of hydrogen storage. A new state equation was established which extended the limitations from the ideal gas state equation, the van der Waals equation and the Gou equation. The new state equation was then employed to describe the p-V-T character of hydrogen and investigate the adsorption quantity of hydrogen storage in resorcin-formaldehyde aerogel under different temperatures and pressures. The new equation was used to describe the density of hydrogen under different temperatures and pressures. The results are in good agreement with the experimental data. The differences arising from various underlying physics were carefully analyzed. (authors)

  5. Simulated impurity transport in LHD from MIST

    Energy Technology Data Exchange (ETDEWEB)

    Rice, J.E. [National Inst. for Fusion Science, Toki, Gifu (Japan)

    1998-05-01

    The impurity transport code MIST and atomic physics package LINES are used to calculate the time evolution of charge state density profiles, individual line emissivity profiles and total radiated power profiles for impurities in LHD plasmas. Three model LHD plasmas are considered; a high density, low temperature case, a low density, high temperature case and the initial LHD start-up plasma (500 kW ECH), using impurity transport coefficient profiles from Heliotron E. The elements oxygen, neon, scandium, iron, nickel and molybdenum are considered, both injected and in steady state. (author)

  6. EUV impurity study of the Alcator tokamak

    International Nuclear Information System (INIS)

    Terry, J.L.; Chen, K.I.; Moos, H.W.; Marmar, E.S.

    1978-01-01

    The intensity of resonance line radiation from oxygen, nitrogen, carbon and molybdenum impurities has been measured in the high-field (80kG), high-density (6x10 14 cm -3 ) discharges of the Alcator Tokamak, using a 0.4-m normal-incidence monochromator (300-1300A) with its line of sight fixed along a major radius. Total light-impurity concentrations of a few tenths of a percent have been estimated by using both a simple model and a computer code which included Pfirsch-Schlueter impurity diffusion. The resulting values of Zsub(eff), including the contributions due to both the light impurities and molybdenum, were close to one. The power lost through the impurity line radiation from the lower ionization states accounted for approximately 10% of the total Ohmic input power at high densities. (author)

  7. Integrable quantum impurity models

    International Nuclear Information System (INIS)

    Eckle, H.P.

    1998-01-01

    By modifying some of the local L operators of the algebraic form of the Bethe Ansatz inhomogeneous one dimensional quantum lattice models can be constructed. This fact has recently attracted new attention, the inhomogeneities being interpreted as local impurities. The Hamiltonians of the so constructed one-dimensional quantum models have a nearest neighbour structure except in the vicinity of the local impurities which involve three-site interactions. The pertinent feature of these models is the absence of backscattering at the impurities: the impurities are transparent. (Copyright (1998) World Scientific Publishing Co. Pte. Ltd)

  8. Hydrogen production of Enterobacter aerogenes altered by extracellular and intracellular redox states

    Energy Technology Data Exchange (ETDEWEB)

    Nakashimada, Y.; Rachman, M.A.; Kakizono, T.; Nishio, N. [Hiroshima University, Higashi-Hiroshima (Japan). Graduate School of Advanced Sciences of Matter, Department of Molecular Biotechnology

    2002-12-01

    Enterobacter aerogenes HU-101, tested for its hydrogen production in batch cultures on various substrates, produced the highest amount of hydrogen when the substrate was glycerol. The yield of hydrogen is a function of the degree to which the substrates are reduced. To examine the effect of intracellular redox state on hydrogen yield, glucose-limiting chemostat cultures were carried out at various pH using strain HU-101 and its mutant AY-2. For both strains, the molar yield and the production rate of hydrogen and the hydrogenase activity in the cell-free extract were optimal at the culture pH of 6.3. The highest NADH/NAD ratio in both strains was also observed at pH 6.3, at which the ratio in AY-2 was more than two-fold that of HU-101. Furthermore, NAD(P)H-dependent hydrogen formation was observed in the cell-free extract of AY-2, and hydrogenase activity was found not in the cytoplasmic but in the cell membrane fraction, suggesting that a high intracellular redox state, that is a high NADH/NAD ratio, would accelerate hydrogen production by driving membrane-bound NAD(P)H-dependent hydrogenase. (author)

  9. Water containing deuterium electrolysis to obtain gaseous hydrogen isotope in a high state of purity

    International Nuclear Information System (INIS)

    Bellanger, Gilbert

    1992-01-01

    In this paper, the basic concept is to prepare hydrogen in a high state of purity by electrolysing water using a palladium cathode. During electrolysis, hydrogen is at first adsorbed at the palladium surface, and next it diffuses through it till opposite face of its entry where it is desorbed; thus permitting to regain it in a very pure state for storage. The method can be used from water containing deuterium. To improve hydrogen adsorption, surface effect of palladium must be studied. It was found that heat treatment of palladium improved the hydrogen permeation flux. The diffusivity of hydrogen is controlled by Fick and Sieverts equations in which temperature has a significant influence on permeation rates. Anyway, hydrogen desorption does not cause any difficulty. In a second part, we have studied the isotopic separation factor using water containing deuterium. We remarked in fact that it depends on current density, overpotential, diffusivity of hydrogen and deuterium and isotopic composition of electrolyte as expected. In the last part, we realized an original electrolysis model in a glove-box in which are taken into account the results given before and also the technology components employed in processes involving the use of tritium. (author) [fr

  10. Translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I

    Science.gov (United States)

    Takahashi, Masae; Ishikawa, Yoichi

    2013-06-01

    We perform dispersion-corrected first-principles calculations, and far-infrared (terahertz) spectroscopic experiments at 4 K, to examine translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I. The calculated frequencies and relative intensities reproduce the observed spectrum to accuracy of 11 cm-1 or less. The stronger one of the two peaks assigned to the translational mode includes the stretching vibration of the weak hydrogen bond between the acetyl groups of a neighboring one-dimensional chain. The calculation of aspirin form II performed for comparison gives the stretching vibration of the weak hydrogen bond in one-dimensional chain.

  11. Quantum-mechanical approach to the state of hydrogen in b. c. c. metals

    Energy Technology Data Exchange (ETDEWEB)

    Fukai, Y; Sugimoto, H

    1980-01-01

    A first step towards consistent understanding of various properties of interstitial hydrogen in b.c.c. metals has been made by solving a Schroedinger equation for hydrogen atoms in the field of interaction with surrounding metal atoms. Properties investigated include the nature of self-trapped states, the relative stability of self-trapped configurations, the average stress field (P-tensor), the excitation energy to be determined by neutron spectroscopy, etc. Calculations were performed on hydrogen isotopes (H, D, T) in group-V metals (V, Nb, Ta), and good agreement was obtained with many different kinds of observations. Some predictions and tentative explanations are also presented.

  12. Quantum-mechanical approach to the state of hydrogen in B. C. C. metals

    Energy Technology Data Exchange (ETDEWEB)

    Fukai, Y; Sugimoto, H [Chuo Univ., Tokyo (Japan). Dept. of Physics

    1980-01-01

    A first step towards consistent understanding of various properties of interstitial hydrogen in B.C.C. metals has been made by solving a Schroedinger equation for hydrogen atoms in the field of interaction with surrounding metal atoms. Properties investigated include a nature of self-trapped states, a relative stability of self-trapped configurations, the average stress field (P-tensor), the excitation energy to be determined by neutron spectroscopy, etc. Calculations were performed on hydrogen isotopes (H, D, T) in group-V metals (V, Nb, Ta), and good agreement was obtained with many different kinds of observations. Some predictions and tentative explanations are also presented.

  13. Plasma impurity-control studies in CTX

    International Nuclear Information System (INIS)

    Barnes, C.W.; Henins, I.; Hoida, H.W.; Jarboe, T.R.; Linford, R.K.; Marshall, J.; Sherwood, A.R.; Tuszewski, M.

    1981-01-01

    In the past, magnetized coaxial gun generated Compact Toroids (CTs) have exhibited magnetic field and density lifetimes of about 250 to 350 μs and electron temperatures of about 10 eV. In recent experiments, after hydrogen discharge cleaning the gun and flux conserver surfaces, the lifetimes have been extended to 550 μs. This improvement in lifetime, together with spectroscopic and bolometric measurements, are consistent with the interpretation that the CT plasma losses are impurity dominated and that discharge cleaning is reducing the impurities. Details of these measurements are described as well as successful experiments which led to a more open flux conserver

  14. Plasma impurity-control studies in CTX

    Energy Technology Data Exchange (ETDEWEB)

    Barnes, C.W.; Henins, I.; Hoida, H.W.; Jarboe, T.R.; Linford, R.K.; Marshall, J.; Sherwood, A.R.; Tuszewski, M.

    1981-01-01

    In the past, magnetized coaxial gun generated Compact Toroids (CTs) have exhibited magnetic field and density lifetimes of about 250 to 350 ..mu..s and electron temperatures of about 10 eV. In recent experiments, after hydrogen discharge cleaning the gun and flux conserver surfaces, the lifetimes have been extended to 550 ..mu..s. This improvement in lifetime, together with spectroscopic and bolometric measurements, are consistent with the interpretation that the CT plasma losses are impurity dominated and that discharge cleaning is reducing the impurities. Details of these measurements are described as well as successful experiments which led to a more open flux conserver.

  15. Evaluation of soft x-ray average recombination coefficient and average charge for metallic impurities in beam-heated plasmas

    International Nuclear Information System (INIS)

    Sesnic, S.S.; Bitter, M.; Hill, K.W.; Hiroe, S.; Hulse, R.; Shimada, M.; Stratton, B.; von Goeler, S.

    1986-05-01

    The soft x-ray continuum radiation in TFTR low density neutral beam discharges can be much lower than its theoretical value obtained by assuming a corona equilibrium. This reduced continuum radiation is caused by an ionization equilibrium shift toward lower states, which strongly changes the value of the average recombination coefficient of metallic impurities anti γ, even for only slight changes in the average charge, anti Z. The primary agent for this shift is the charge exchange between the highly ionized impurity ions and the neutral hydrogen, rather than impurity transport, because the central density of the neutral hydrogen is strongly enhanced at lower plasma densities with intense beam injection. In the extreme case of low density, high neutral beam power TFTR operation (energetic ion mode) the reduction in anti γ can be as much as one-half to two-thirds. We calculate the parametric dependence of anti γ and anti Z for Ti, Cr, Fe, and Ni impurities on neutral density (equivalent to beam power), electron temperature, and electron density. These values are obtained by using either a one-dimensional impurity transport code (MIST) or a zero-dimensional code with a finite particle confinement time. As an example, we show the variation of anti γ and anti Z in different TFTR discharges

  16. Equation of state of solid hydrogen at 0 deg K. A bibliography

    International Nuclear Information System (INIS)

    Masse, J.-L.

    1976-02-01

    A bibliography on solid hydrogen at 0 deg K and its equation of state is presented. The isotopic derivatives of H 2 , such as D 2 , HD... have been also considered. Both phases of solid hydrogen have been studied: the molecular phase, stable at low pressure, and the hypothetical metallic phase which must be stable at high pressure. The study of the molecular phase is preceded by a study of the (H 2 ,H 2 ) system of two interacting H 2 , molecules, the knowledge of this interaction being necessary for the evaluation of the properties of the molecular solid phase. The three systems: (H 2 ,H 2 ) and molecular solid and metallic hydrogen have been considered from the experimental and theoretical points of view. The properties of these systems, the measurement or the calculation of which are described, have been chosen on account of their usefulness for the research of the equation of state of molecular or metallic solid hydrogen. Different interaction potentials of two hydrogen molecules and different equations of state of molecular solid hydrogen are given. Some theoretical studies are proposed [fr

  17. Advanced materials for solid state hydrogen storage: “Thermal engineering issues”

    International Nuclear Information System (INIS)

    Srinivasa Murthy, S.; Anil Kumar, E.

    2014-01-01

    Hydrogen has been widely recognized as the “Energy Carrier” of the future. Efficient, reliable, economical and safe storage and delivery of hydrogen form important aspects in achieving success of the “Hydrogen Economy”. Gravimetric and volumetric storage capacities become important when one considers portable and mobile applications of hydrogen. In the case of solid state hydrogen storage, the gas is reversibly embedded (by physisorption and/or chemisorption) in a solid matrix. A wide variety of materials such as intermetallics, physisorbents, complex hydrides/alanates, metal organic frameworks, etc. have been investigated as possible storage media. This paper discusses the feasibility of lithium– and sodium–aluminum hydrides with emphasis on their thermodynamic and thermo-physical properties. Drawbacks such as poor heat transfer characteristics and poor kinetics demand special attention to the thermal design of solid state storage devices. - Highlights: • Advanced materials suitable for solid state hydrogen storage are discussed. • Issues related to thermodynamic and thermo-physical properties of hydriding materials are brought out. • Hydriding and dehydriding behavior including sorption kinetics of complex hydrides with emphasis on alanates are explained

  18. Solid State NMR Characterization of Complex Metal Hydrides systems for Hydrogen Storage Applications

    Directory of Open Access Journals (Sweden)

    Son-Jong Hwang

    2011-12-01

    Full Text Available Solid state NMR is widely applied in studies of solid state chemistries for hydrogen storage reactions. Use of 11B MAS NMR in studies of metal borohydrides (BH4 is mainly focused, revisiting the issue of dodecaborane formation and observation of 11B{1H} Nuclear Overhauser Effect.

  19. Glauber amplitudes for transitions from low lying states in hydrogen atom by charged particle impact

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, S; Srivastava, M K [Roorkee Univ. (India). Dept. of Physics

    1977-07-01

    The Glauber amplitudes for the general transition nlm ..-->.. n'1'm' in charged particle - hydrogen atom collisions have been obtained in the form of a one-dimensional integral. The final expression involves only a few hypergeometric functions if n is not too large and is particularly suited to study excitation to highly excited states from a low lying state.

  20. Trace impurity analyzer

    International Nuclear Information System (INIS)

    Schneider, W.J.; Edwards, D. Jr.

    1979-01-01

    The desirability for long-term reliability of large scale helium refrigerator systems used on superconducting accelerator magnets has necessitated detection of impurities to levels of a few ppM. An analyzer that measures trace impurity levels of condensable contaminants in concentrations of less than a ppM in 15 atm of He is described. The instrument makes use of the desorption temperature at an indicated pressure of the various impurities to determine the type of contaminant. The pressure rise at that temperature yields a measure of the contaminant level of the impurity. A LN 2 cryogenic charcoal trap is also employed to measure air impurities (nitrogen and oxygen) to obtain the full range of contaminant possibilities. The results of this detector which will be in use on the research and development helium refrigerator of the ISABELLE First-Cell is described

  1. Effects of a Transition to a Hydrogen Economy on Employment in the United States

    International Nuclear Information System (INIS)

    Tolley, George S.; Jones, Donald W.; Mintz, Marianne M.; Smith, Barton A.; Carlson, Eric; Unnasch, Stefan; Lawrence, Michael; Chmelynski, Harry

    2008-01-01

    The U.S. Department of Energy report, Effects of a Transition to a Hydrogen Economy on Employment in the United States Report to Congress, estimates the effects on employment of a U.S. economy transformation to hydrogen between 2020 and 2050. The report includes study results on employment impacts from hydrogen market expansion in the transportation, stationary, and portable power sectors and highlights possible skill and education needs. This study is in response to Section 1820 of the Energy Policy Act of 2005 (Public Law 109-58) (EPACT). Section 1820, 'Overall Employment in a Hydrogen Economy', requires the Secretary of Energy to carry out a study of the effects of a transition to a hydrogen economy on several employment (types) in the United States. As required by Section 1820, the present report considers: (1) Replacement effects of new goods and services; (2) International competition; (3) Workforce training requirements; (4) Multiple possible fuel cycles, including usage of raw materials; (5) Rates of market penetration of technologies; (6) Regional variations based on geography; and (7) Specific recommendations of the study Both the Administration's National Energy Policy and the Department's Strategic Plan call for reducing U.S. reliance on imported oil and reducing greenhouse gas emissions. The National Energy Policy also acknowledges the need to increase energy supplies and use more energy-efficient technologies and practices. President Bush proposed in his January 2003 State of the Union Address to advance research on hydrogen so that it has the potential to play a major role in America's future energy system. Consistent with these aims, EPACT 2005 authorizes a research, development, and demonstration program for hydrogen and fuel cell technology. Projected results for the national employment impacts, projections of the job creation and job replacement underlying the total employment changes, training implications, regional employment impacts and the

  2. Effects of a Transition to a Hydrogen Economy on Employment in the United States

    Energy Technology Data Exchange (ETDEWEB)

    Tolley, George S.; Jones, Donald W. Mintz, Marianne M.; Smith, Barton A.; Carlson, Eric; Unnasch, Stefan; Lawrence, Michael; Chmelynski, Harry

    2008-07-01

    The U.S. Department of Energy report, Effects of a Transition to a Hydrogen Economy on Employment in the United States Report to Congress, estimates the effects on employment of a U.S. economy transformation to hydrogen between 2020 and 2050. The report includes study results on employment impacts from hydrogen market expansion in the transportation, stationary, and portable power sectors and highlights possible skill and education needs. This study is in response to Section 1820 of the Energy Policy Act of 2005 (Public Law 109-58) (EPACT). Section 1820, “Overall Employment in a Hydrogen Economy,” requires the Secretary of Energy to carry out a study of the effects of a transition to a hydrogen economy on several employment [types] in the United States. As required by Section 1820, the present report considers: • Replacement effects of new goods and services • International competition • Workforce training requirements • Multiple possible fuel cycles, including usage of raw materials • Rates of market penetration of technologies • Regional variations based on geography • Specific recommendations of the study Both the Administration’s National Energy Policy and the Department’s Strategic Plan call for reducing U.S. reliance on imported oil and reducing greenhouse gas emissions. The National Energy Policy also acknowledges the need to increase energy supplies and use more energy-efficient technologies and practices. President Bush proposed in his January 2003 State of the Union Address to advance research on hydrogen so that it has the potential to play a major role in America’s future energy system. Consistent with these aims, EPACT 2005 authorizes a research, development, and demonstration program for hydrogen and fuel cell technology. Projected results for the national employment impacts, projections of the job creation and job replacement underlying the total employment changes, training implications, regional employment impacts and the

  3. Low-Z impurities in PLT

    International Nuclear Information System (INIS)

    Hinnov, E.; Suckewer, S.; Bol, K.; Hawryluk, R.; Hosea, J.; Meservey, E.

    1977-11-01

    Low-Z impurities concentrations (oxygen and carbon) have been measured in different discharges in PLT. The contribution to Z/sub eff/, influx rates and radiation losses by oxygen and carbon were obtained. An inverse correlation was found between the low-Z impurity density (and also the edge ion temperature) and the high-Z impurity (tungsten) density. A one-dimensional computer transport model has been used to calculate the spatial profiles of different oxygen and carbon ionization states. This model predicts that fully stripped oxygen and carbon ions should exist near the plasma periphery

  4. Chemical Bonding States of TiC Films before and after Hydrogen Ion Irradiation

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    TiC films deposited by rf magnetron sputtering followed by Ar+ ion bombardment were irradiated with a hydrogen ion beam. X-ray photoelectron spectroscopy (XPS) was used for characterization of the chemical bonding states of C and Ti elements of the TiC films before and after hydrogen ion irradiation, in order to understand the effect of hydrogen ion irradiation on the films and to study the mechanism of hydrogen resistance of TiC films. Conclusions can be drawn that ion bombardment at moderate energy can cause preferential physical sputtering of carbon atoms from the surface of low atomic number (Z) material. This means that ion beam bombardment leads to the formation of a non-stoichiometric composition of TiC on the surface.TiC films prepared by ion beam mixing have the more excellent characteristic of hydrogen resistance. One important cause, in addition to TiC itself, is that there are many vacant sites in TiC created by ion beam mixing.These defects can easily trap hydrogen and effectively enhance the effect of hydrogen resistance.

  5. The high pressure equation of state of the isotopes of solid hydrogen and helium

    International Nuclear Information System (INIS)

    Driessen, A.

    1982-01-01

    The initial aim of this thesis was to provide the high pressure equipment and the knowledge about the equation of state (EOS) necessary for a research program in a laboratory dealing with spectroscopy of solid hydrogen under high pressure. Once this first goal was reached, a logical step was to extend the work on the EOS to all three hydrogen isotopes and later also to the helium isotpes. During the experiments on the EOS of hydrogen, the effects of the concentration C 1 of the rotationally excited molecules provoked interest, resulting in an extensive experimental and theoretical study. Chapter I describes the results and experience with high pressure equipment for hydrogen up to 7 kbar and chapter II gives a short general introduction to the calculation of the EOS by introducing the Mie-Grueneisen picture and the Silvera-Goldman (SG) potential for hydrogen. Chapter III gives the results of the first EOS of H 2 and D 2 and chapter IV gives a prediction of the EOS of solid T 2 with aid of the SG potential and the experimental results of H 2 and D 2 . Chapter V presents calculations on the thermal expansion of the hydrogen isotopes, which are compared with direct experiments and chapter VI deals in detail with the influence of C 1 on the EOS of H 2 . Ortho-para conversion in hydrogen is considered in chapter VII, and chapter VIII describes experiments on 4 He. (Auth.)

  6. Local Density of States in a d-wave Superconductor with Stripe-Like Modulations and a Strong Impurity

    OpenAIRE

    Chen, Hong-Yi; Ting, C. S.

    2003-01-01

    Using an effective Hamiltonian with d-wave superconductivity (dSC) and competing antiferromagnetic (AF) interactions, we show that weak and one-dimensionally modulated dSC, spin density wave (SDW) and charge density wave (CDW) could coexist in the ground state configuration. With proper parameters, the SDW order exhibits a period of 8a, while for dSC and CDW orders the period is 4a. The local density of states (LDOS), which probing the behavior of quasiparticle excitations, is found to have t...

  7. Low Z impurity transport in tokamaks. [Neoclassical transport theory

    Energy Technology Data Exchange (ETDEWEB)

    Hawryluk, R.J.; Suckewer, S.; Hirshman, S.P.

    1978-10-01

    Low Z impurity transport in tokamaks was simulated with a one-dimensional impurity transport model including both neoclassical and anomalous transport. The neoclassical fluxes are due to collisions between the background plasma and impurity ions as well as collisions between the various ionization states. The evaluation of the neoclassical fluxes takes into account the different collisionality regimes of the background plasma and the impurity ions. A limiter scrapeoff model is used to define the boundary conditions for the impurity ions in the plasma periphery. In order to account for the spectroscopic measurements of power radiated by the lower ionization states, fluxes due to anomalous transport are included. The sensitivity of the results to uncertainties in rate coefficients and plasma parameters in the periphery are investigated. The implications of the transport model for spectroscopic evaluation of impurity concentrations, impurity fluxes, and radiated power from line emission measurements are discussed.

  8. Impurity with two electrons in the spherical quantum dot with Unite confinement potential

    International Nuclear Information System (INIS)

    Baghdasaryan, D A; Ghaltaghchyan, H Ts; Kazaryan, E M; Sarkisyan, H A

    2016-01-01

    Two-electron states in a spherical QD with the hydrogenic impurity located in the center and with a finite height confinement potential barrier are investigated. The effective mass mismatch have been taken into account. The dependence of ground state energy and Coulomb electron-electron interaction energy correction on the QD size is studied. The problem of the state exchange time control in QD is discussed, taking into account the spins of the electrons in the Russell-Saunders approximation. The effect of quantum emission has been shown. (paper)

  9. Creation of paired electron states in the gap of semiconducting carbon nanotubes by correlated hydrogen adsorption

    International Nuclear Information System (INIS)

    Buchs, Gilles; Krasheninnikov, Arkady V; Ruffieux, Pascal; Groening, Pierangelo; Foster, Adam S; Nieminen, Risto M; Groening, Oliver

    2007-01-01

    The specific, local modification of the electronic structure of carbon nanomaterials is as important for novel electronic device fabrication as the doping in the case of silicon-based electronics. Here, we report low temperature scanning tunneling microscopy and spectroscopy study of semiconducting carbon nanotubes subjected to hydrogen-plasma treatment. We show that plasma treatment mostly results in the creation of paired electronic states in the nanotube band gap. Combined with extensive first-principle simulations, our results provide direct evidence that these states originate from correlated chemisorption of hydrogen adatoms on the tube surface. The energy splitting of the paired states is governed by the adatom-adatom interaction, so that controlled hydrogenation can be used for engineering the local electronic structure of nanotubes and other sp 2 -bonded nanocarbon systems

  10. Core-state manipulation of single Fe impurities in GaAs with a scanning tunneling microscope

    NARCIS (Netherlands)

    Bocquel, J.; Kortan, V.R.; Sahin, C.; Campion, R.P.; Gallagher, B.L.; Flatte, M.E.; Koenraad, P.M.

    2013-01-01

    We demonstrate that a scanning tunneling microscope tip can be used to manipulate the tightly bound core (d-electron) state of single Fe ions embedded in GaAs. Increasing tip-sample voltage removes one d electron from the core of a single Fe, changing the dopant from the (Fe2+)(-) ionized acceptor

  11. Local order dependent impurity levels in alloy semiconductors

    International Nuclear Information System (INIS)

    Silva, C.E.T.G. da; Ecole Normale Superieure, 75 - Paris

    1981-01-01

    We develop a one band/may sites model for an isoelectronic impurity in a semiconductor alloy. The cluster-Bethe-lattice approximation is used to study the dependence of the impurity energy level upon the short range order (SRO) of the alloy. The Kikuchi parametrization is used to describe the latter. We take into account diagonal disorder only, with possible off-diagonal relaxation around the impurity site. All the inequivalent clusters of the impurity site and its first nearest neighbours are considered, thus including the important short range alloy potential fluctuations. Results are presented for the local density of impurity states, for different degrees of SRO in the alloy. (Author) [pt

  12. Impact of Various Charge States of Hydrogen on Passivation of Dislocation in Silicon

    Science.gov (United States)

    Song, Lihui; Lou, Jingjing; Fu, Jiayi; Ji, Zhenguo

    2018-03-01

    Dislocation, one of typical crystallographic defects in silicon, is detrimental to the minority carrier lifetime of silicon wafer. Hydrogen passivation is able to reduce the recombination activity of dislocation, however, the passivation efficacy is strongly dependent on the experimental conditions. In this paper, a model based on the theory of hydrogen charge state control is proposed to explain the passivation efficacy of dislocation correlated to the peak temperature of thermal annealing and illumination intensity. Experimental results support the prediction of the model that a mix of positively charged hydrogen and negatively charged hydrogen at certain ratio can maximise the passivation efficacy of dislocation, leading to a better power conversion efficiency of silicon solar cell with dislocation in it.

  13. Occupationally related hydrogen sulfide deaths in the United States from 1984 to 1994.

    Science.gov (United States)

    Fuller, D C; Suruda, A J

    2000-09-01

    Alice Hamilton described fatal work injuries from acute hydrogen sulfide poisonings in 1925 in her book Industrial Poisons in the United States. There is no unique code for H2S poisoning in the International Classification of Diseases, 9th Revision; therefore, these deaths cannot be identified easily from vital records. We reviewed US Occupational Safety and Health Administration (OSHA) investigation records for the period 1984 to 1994 for mention of hazardous substance 1480 (hydrogen sulfide). There were 80 fatalities from hydrogen sulfide in 57 incidents, with 19 fatalities and 36 injuries among coworkers attempting to rescue fallen workers. Only 17% of the deaths were at workplaces covered by collective bargaining agreements. OSHA issued citations for violation of respiratory protection and confined space standards in 60% of the fatalities. The use of hydrogen sulfide detection equipment, air-supplied respirators, and confined space safety training would have prevented most of the fatalities.

  14. Two-state approximation applied to hydrogen formation by proton impact on positronium

    Directory of Open Access Journals (Sweden)

    E Ghanbari Adivi

    2009-09-01

    Full Text Available Although there is no experimental data available for antihydrogen formation following antiprotons impact on positroium atoms, as a charge transfer reaction, at incident energies which are suitable for antimatter high-precision spectroscopic studies, measurements were carried out for its charge-conjugate reaction i. e. hydrogen formation, by protons impact on positronium. In this study, a two-state approximation method is applied to charge exchange process in proton-positronium collision system. The nonorthogonality of initial and final states and its effects on the angular distribution of the differential cross sections is taken into account by using this method. The state-to-state differential cross sections are reported for transition from ground state of positronium into the ground and a few lowest excited states of the formed hydrogen. Integrated cross sections are presented as well.

  15. Enhancing atom densities in solid hydrogen by isotopic substitution

    International Nuclear Information System (INIS)

    Collins, G.W.; Souers, P.C.; Mapoles, E.R.; Magnotta, F.

    1991-01-01

    Atomic hydrogen inside solid H 2 increases the energy density by 200 MegaJoules/m 3 , for each percent mole fraction stored. How many atoms can be stored in solid hydrogen? To answer this, we need to know: (1) how to produce and trap hydrogen atoms in solid hydrogen, (2) how to keep the atoms from recombining into the ground molecular state, and (3) how to measure the atom density in solid hydrogen. Each of these topics will be addressed in this paper. Hydrogen atoms can be trapped in solid hydrogen by co-condensing atoms and molecules, external irradiation of solid H 2 , or introducing a radioactive impurity inside the hydrogen lattice. Tritium, a heavy isotope of hydrogen, is easily condensed as a radioactive isotopic impurity in solid H 2 . Although tritium will probably not be used in future rockets, it provides a way of applying a large, homogenious dose to solid hydrogen. In all of the data presented here, the atoms are produced by the decay of tritium and thus knowing how many atoms are produced from the tritium decay in the solid phase is important. 6 refs., 6 figs

  16. State reconstruction and irregular wavefunctions for the hydrogen atom

    Science.gov (United States)

    Krähmer, D. S.; Leonhardt, U.

    1997-07-01

    Inspired by a recently proposed procedure by Leonhardt and Raymer for wavepacket reconstruction, we calculate the irregular wavefunctions for the bound states of the Coulomb potential. We select the irregular solutions which have the simplest semiclassical limit.

  17. Resonance charge exchange between excited states in slow proton-hydrogen collisions

    International Nuclear Information System (INIS)

    Tolstikhina, Inga Yu.; Kato, Daiji

    2010-01-01

    The theory of resonance charge exchange in slow collisions of a proton with a hydrogen atom in the excited state is developed. It extends the Firsov-Demkov theory of resonance charge exchange to the case of degenerate initial and final states. The theory is illustrated by semiclassical and quantum calculations of charge exchange cross sections between states with n=2 in parabolic and spherical coordinates. The results are compared with existing close-coupling calculations.

  18. Far infrared spectroscopy of solids. I. Impurity states in Al2O3. II. Electron-hole droplets in Ge

    International Nuclear Information System (INIS)

    Aurbauch, R.L.

    1975-01-01

    Far infrared Fourier transform spectroscopy was used to study the low lying vibronic states of Mn 3+ in Al 2 O 3 and the plasma absorption of electron-hole droplets in Ge. The transmission of Mn-doped samples of Al 2 O 3 was measured in the frequency range from 3 to 30 cm -1 in applied magnetic fields up to 50 kG. Absorption lines were observed due to both ground and excited state transitions. Polarization measurements established that these absorption lines were due to electric dipole transitions. Temperature dependence measurements were used to derive a level diagram for the low lying states of Mn 3+ . A phenomenological model based on an electronic Hamiltonian was developed which successfully describes the data. The empirically determined trigonal field and spin-orbit quenching parameters of this model are 0.7 and 0.1 respectively. This quenching is attributed to the dynamic Jahn--Teller interaction. The plasma absorption of small (α) electron-hole drops in Ge was measured in the frequency range from 30 to 300 cm -1 . The observed absorption is in good agreement with measurements by Vavilov and other workers. A theoretical model which includes both intraband and interband contributions to the dielectric constant in the Rayleigh limit of Mie theory is used to describe the observed lineshape. Measurements of plasma absorption of large (γ) drops in inhomogeneously stressed Ge were made in magnetic fields up to 50 kG. The lineshape at zero applied field was calculated in the large sphere limit of Mie theory including intraband terms and a zero-strain interband term. Qualitative agreement with experiment was obtained. The peak absorption shifted quadratically with applied magnetic field and the total plasma absorption increased. No oscillatory structure was observed in the field-dependence of the total absorption

  19. Equation of State measurements of hydrogen isotopes on Nova

    Energy Technology Data Exchange (ETDEWEB)

    Collins, G. W., LLNL

    1997-11-01

    High intensity lasers can be used to perform measurements of materials at extremely high pressures if certain experimental issues can be overcome. We have addressed those issues and used the Nova laser to shock-compress liquid deuterium and obtain measurements of density and pressure on the principal Hugoniot at pressures from 300 kbar to more than 2 Mbar. The data are compared with a number of equation of state models. The data indicate that the effect of molecular dissociation of the deuterium into a monatomic phase may have a significant impact on the equation of state near 1 Mbar.

  20. Development of repetitive railgun pellet accelerator and steady-state solid hydrogen extruder

    International Nuclear Information System (INIS)

    Oda, Y.; Azuma, K.; Onozuka, M.; Kasai, S.; Hasegawa, K.

    1995-01-01

    Development of a railgun pellet accelerator and a steady-state solid hydrogen extruder has been conducted. A railgun accelerator has been investigated for a high-speed repetitive pellet acceleration. The final objective is to develop a railgun system that can achieve a 5km/s speed-class repetitive (2Hz) pellet injection. Improvement in the acceleration efficiency showed a pellet velocity of more than 2km/s using augment rails and a ceramic insulator applied to a 1m-long railgun. The other investigation focused on the development of a steady-state solid hydrogen extruder for continuous pellet injection. Screw-driven extruding system has been chosen to extrude the solid hydrogen filament continuously. Theoretical considerations suggest that temperature control of the system is important in future research. (orig.)

  1. Development of repetitive railgun pellet accelerator and steady-state solid hydrogen extruder

    Energy Technology Data Exchange (ETDEWEB)

    Oda, Y. [Mitsubishi Heavy Industries Ltd., Kobe (Japan); Azuma, K. [Mitsubishi Heavy Industries Ltd., Kobe (Japan); Onozuka, M. [Mitsubishi Heavy Industries Ltd., Kobe (Japan); Kasai, S. [Japan Atomic Energy Research Inst., Ibaraki (Japan); Hasegawa, K. [Japan Atomic Energy Research Inst., Ibaraki (Japan)

    1995-12-31

    Development of a railgun pellet accelerator and a steady-state solid hydrogen extruder has been conducted. A railgun accelerator has been investigated for a high-speed repetitive pellet acceleration. The final objective is to develop a railgun system that can achieve a 5km/s speed-class repetitive (2Hz) pellet injection. Improvement in the acceleration efficiency showed a pellet velocity of more than 2km/s using augment rails and a ceramic insulator applied to a 1m-long railgun. The other investigation focused on the development of a steady-state solid hydrogen extruder for continuous pellet injection. Screw-driven extruding system has been chosen to extrude the solid hydrogen filament continuously. Theoretical considerations suggest that temperature control of the system is important in future research. (orig.).

  2. Proton-coupled electron transfer versus hydrogen atom transfer: generation of charge-localized diabatic states.

    Science.gov (United States)

    Sirjoosingh, Andrew; Hammes-Schiffer, Sharon

    2011-03-24

    The distinction between proton-coupled electron transfer (PCET) and hydrogen atom transfer (HAT) mechanisms is important for the characterization of many chemical and biological processes. PCET and HAT mechanisms can be differentiated in terms of electronically nonadiabatic and adiabatic proton transfer, respectively. In this paper, quantitative diagnostics to evaluate the degree of electron-proton nonadiabaticity are presented. Moreover, the connection between the degree of electron-proton nonadiabaticity and the physical characteristics distinguishing PCET from HAT, namely, the extent of electronic charge redistribution, is clarified. In addition, a rigorous diabatization scheme for transforming the adiabatic electronic states into charge-localized diabatic states for PCET reactions is presented. These diabatic states are constructed to ensure that the first-order nonadiabatic couplings with respect to the one-dimensional transferring hydrogen coordinate vanish exactly. Application of these approaches to the phenoxyl-phenol and benzyl-toluene systems characterizes the former as PCET and the latter as HAT. The diabatic states generated for the phenoxyl-phenol system possess physically meaningful, localized electronic charge distributions that are relatively invariant along the hydrogen coordinate. These diabatic electronic states can be combined with the associated proton vibrational states to generate the reactant and product electron-proton vibronic states that form the basis of nonadiabatic PCET theories. Furthermore, these vibronic states and the corresponding vibronic couplings may be used to calculate rate constants and kinetic isotope effects of PCET reactions.

  3. Numerical studies of impurities in fusion plasmas

    International Nuclear Information System (INIS)

    Hulse, R.A.

    1982-09-01

    The coupled partial differential equations used to describe the behavior of impurity ions in magnetically confined controlled fusion plasmas require numerical solution for cases of practical interest. Computer codes developed for impurity modeling at the Princeton Plasma Physics Laboratory are used as examples of the types of codes employed for this purpose. These codes solve for the impurity ionization state densities and associated radiation rates using atomic physics appropriate for these low-density, high-temperature plasmas. The simpler codes solve local equations in zero spatial dimensions while more complex cases require codes which explicitly include transport of the impurity ions simultaneously with the atomic processes of ionization and recombination. Typical applications are discussed and computational results are presented for selected cases of interest

  4. Impurity induced resistivity upturns in underdoped cuprates

    Energy Technology Data Exchange (ETDEWEB)

    Das, Nabyendu, E-mail: nabyendudas@gmail.com; Singh, Navinder

    2016-01-28

    Impurity induced low temperature upturns in both the ab-plane and the c-axis dc-resistivities of cuprates in the pseudogap state have been observed in experiments. We provide an explanation of this phenomenon by incorporating impurity scattering of the charge carriers within a phenomenological model proposed by Yang, Rice and Zhang. The scattering between charge carriers and the impurity atom is considered within the lowest order Born approximation. Resistivity is calculated within Kubo formula using the impurity renormalized spectral functions. Using physical parameters for cuprates, we describe qualitative features of the upturn phenomena and its doping evolution that coincides with the experimental findings. We stress that this effect is largely due to the strong electronic correlations.

  5. Impurity induced resistivity upturns in underdoped cuprates

    International Nuclear Information System (INIS)

    Das, Nabyendu; Singh, Navinder

    2016-01-01

    Impurity induced low temperature upturns in both the ab-plane and the c-axis dc-resistivities of cuprates in the pseudogap state have been observed in experiments. We provide an explanation of this phenomenon by incorporating impurity scattering of the charge carriers within a phenomenological model proposed by Yang, Rice and Zhang. The scattering between charge carriers and the impurity atom is considered within the lowest order Born approximation. Resistivity is calculated within Kubo formula using the impurity renormalized spectral functions. Using physical parameters for cuprates, we describe qualitative features of the upturn phenomena and its doping evolution that coincides with the experimental findings. We stress that this effect is largely due to the strong electronic correlations.

  6. United States Energy Association Final Report International Partnership for the Hydrogen Economy Ministerial Conference

    Energy Technology Data Exchange (ETDEWEB)

    William L. Polen

    2006-04-05

    This report summarizes the activities of the United States Energy Association as it conducted the initial Ministerial Meeting of the International Partnership for the Hydrogen Economy in Washington, DC on November 18-21, 2003. The report summarizes the results of the meeting and subsequent support to the Office of Energy Efficiency and Renewable Energy in its role as IPHE Secretariat.

  7. Perturbation approach to the self-energy of non-S hydrogenic states

    International Nuclear Information System (INIS)

    Le Bigot, Eric-Olivier; Jentschura, Ulrich D.; Mohr, Peter J.; Indelicato, Paul; Soff, Gerhard

    2003-01-01

    We present results on the self-energy correction to the energy levels of hydrogen and hydrogenlike ions. The self-energy represents the largest QED correction to the relativistic (Dirac-Coulomb) energy of a bound electron. We focus on the perturbation expansion of the self-energy of non-S states, and provide estimates of the so-called A 60 perturbation coefficient, which can be viewed as a relativistic Bethe logarithm. Precise values of A 60 are given for many P, D, F, and G states, while estimates are given for other states. These results can be used in high-precision spectroscopy experiments in hydrogen and hydrogenlike ions. They yield the best available estimate of the self-energy correction of many atomic states

  8. Atomic spectroscopy on fusion relevant ions and studies of light impurities in the JET tokamak

    International Nuclear Information System (INIS)

    Tunklev, M.

    1999-03-01

    The spectrum and energy levels of C IV and the 3l-4l system of the Mg-like ions in the iron group elements have been investigated. This has led to several hundred identified transitions, many of them previously unknown. Using the Charge Exchange Diagnostic system at JET, ion temperatures, rotation velocities and densities have been derived from visible spectroscopic measurements on fully ionised light impurities, such as He, C, N and Ne. The existence of plume contribution from beam produced hydrogen-like ions has been proven beyond any doubt to affect the deduction of the active charge exchange signal of He II. In the case of C VI the plume signal was estimated to be at least a factor of five lower than the active charge exchange signal. Line integrated passive charge exchange emission between neutral background atoms and fully stripped impurity ions has been investigated and modelled. When the synthetic spectrum is fitted into the experimentally detected spectra the neutral background density can be deduced. The importance of including background atoms (H, D and T) as charge exchange donors, not only in state 2s, but also in state 1s, has shown to be crucial in high temperature shots. Transport of light impurities has been studied with gas puff injections into steady state H-mode plasmas. The results suggest that light impurities are transported as described by the neo-classical Pfirsch-Schlueter regime at the edge, whilst in the centre, sawtoothing, preferably to Banana transport, is mixing the plasma and increases the measured values on the diffusion. For the peaking of impurities in a steady state plasma an anomalous treatment was more in agreement with the experimental data. Certain confinement information, previously predicted theoretically as a part of the peaking equation, has been experimentally verified

  9. Identification of impurities in sodium and its purification

    International Nuclear Information System (INIS)

    Subbotin, B.I.; Voltchkov, L.G.; Kozlov, F.A.; Zagorulko, Yu.I.; Kuznetsov, E.K.

    1976-01-01

    The paper presents some investigation results on sodium technology. In particular, a description is given of a calculation method for evaluation of sodium-cover gas-impurities equilibrium compositions as well as experimental results on development of methods for sodium sampling, equipment for non-metallic impurities (oxygen, hydrogen, carbon) constant control in sodium. The investigation results on sodium purification with cold traps are presented

  10. Theoretical investigation of image states of the hydrogen covered Cu (100)

    International Nuclear Information System (INIS)

    Steslicka, M.; Zagorski, M.; Jurczyszyn, L.

    1987-08-01

    A model of atomic hydrogen covered Cu(100) is presented and the calculated energy spectrum of localized electronic states in the X gap of Cu(100) is discussed. These states form a series of unoccupied adsorption image states (for n α = 2,3,...) lying below the vacuum level V 0 and having energies E nα which satisfy the formula E nα = V 0 - 10/n n 2 (eV). The lowest state (n α = 1) is expected to lie about 5.5 (eV) below Fermi level. (author). 19 refs, 6 figs, 1 tab

  11. Equation-of-state for fluids at high densities-hydrogen isotope measurements and thermodynamic derivations

    International Nuclear Information System (INIS)

    Liebenberg, D.H.; Mills, R.L.; Bronson, J.C.

    1977-01-01

    Hydrogen isotopes play an important role in energy technologies, in particular, the compression to high densities for initiation of controlled thermonuclear fusion energy. At high densities the properties of the compressed hydrogen isotopes depart drastically from ideal thermodynamic predictions. The measurement of accurate data including the author's own recent measurements of n-H 2 and n-D 2 in the range 75 to 300 K and 0.2 to 2.0 GPa (2 to 20 kbar) is reviewed. An equation-of-state of the Benedict type is fit to these data with a double-process least-squares computer program. The results are reviewed and compared with existing data and with a variety of theoretical work reported for fluid hydrogens. A new heuristic correlation is presented for simplicity in predicting volumes and sound velocity at high pressures. 9 figures, 1 table

  12. Classical/quantum correspondence in state selective charge transfer and excitation reactions involving highly charged ions and hydrogen

    International Nuclear Information System (INIS)

    Purkait, M

    2009-01-01

    State selective charge transfer and excitation cross sections for collisions of Ne q+ (q = 1-10) with atomic hydrogen are calculated within the framework of Classical Trajectory Monte Carlo (CTMC) method and Boundary Corrected Continuum Intermediate State (BCCIS) approximation.

  13. Modeling of hydrogen/deuterium dynamics and heat generation on palladium nanoparticles for hydrogen storage and solid-state nuclear fusion

    Directory of Open Access Journals (Sweden)

    Katsuaki Tanabe

    2016-01-01

    Full Text Available We modeled the dynamics of hydrogen and deuterium adsorbed on palladium nanoparticles including the heat generation induced by the chemical adsorption and desorption, as well as palladium-catalyzed reactions. Our calculations based on the proposed model reproduce the experimental time-evolution of pressure and temperature with a single set of fitting parameters for hydrogen and deuterium injection. The model we generated with a highly generalized set of formulations can be applied for any combination of a gas species and a catalytic adsorbent/absorbent. Our model can be used as a basis for future research into hydrogen storage and solid-state nuclear fusion technologies.

  14. Modeling of hydrogen/deuterium dynamics and heat generation on palladium nanoparticles for hydrogen storage and solid-state nuclear fusion.

    Science.gov (United States)

    Tanabe, Katsuaki

    2016-01-01

    We modeled the dynamics of hydrogen and deuterium adsorbed on palladium nanoparticles including the heat generation induced by the chemical adsorption and desorption, as well as palladium-catalyzed reactions. Our calculations based on the proposed model reproduce the experimental time-evolution of pressure and temperature with a single set of fitting parameters for hydrogen and deuterium injection. The model we generated with a highly generalized set of formulations can be applied for any combination of a gas species and a catalytic adsorbent/absorbent. Our model can be used as a basis for future research into hydrogen storage and solid-state nuclear fusion technologies.

  15. Collective impurity effects in the Heisenberg triangular antiferromagnet

    International Nuclear Information System (INIS)

    Maryasin, V S; Zhitomirsky, M E

    2015-01-01

    We theoretically investigate the Heisenberg antiferromagnet on a triangular lattice doped with nonmagnetic impurities. Two nontrivial effects resulting from collective impurity behavior are predicted. The first one is related to presence of uncompensated magnetic moments localized near vacancies as revealed by the low-temperature Curie tail in the magnetic susceptibility. These moments exhibit an anomalous growth with the impurity concentration, which we attribute to the clustering mechanism. In an external magnetic field, impurities lead to an even more peculiar phenomenon lifting the classical ground-state degeneracy in favor of the conical state. We analytically demonstrate that vacancies spontaneously generate a positive biquadratic exchange, which is responsible for the above degeneracy lifting

  16. Numerical renormalization group calculation of impurity internal energy and specific heat of quantum impurity models

    Science.gov (United States)

    Merker, L.; Costi, T. A.

    2012-08-01

    We introduce a method to obtain the specific heat of quantum impurity models via a direct calculation of the impurity internal energy requiring only the evaluation of local quantities within a single numerical renormalization group (NRG) calculation for the total system. For the Anderson impurity model we show that the impurity internal energy can be expressed as a sum of purely local static correlation functions and a term that involves also the impurity Green function. The temperature dependence of the latter can be neglected in many cases, thereby allowing the impurity specific heat Cimp to be calculated accurately from local static correlation functions; specifically via Cimp=(∂Eionic)/(∂T)+(1)/(2)(∂Ehyb)/(∂T), where Eionic and Ehyb are the energies of the (embedded) impurity and the hybridization energy, respectively. The term involving the Green function can also be evaluated in cases where its temperature dependence is non-negligible, adding an extra term to Cimp. For the nondegenerate Anderson impurity model, we show by comparison with exact Bethe ansatz calculations that the results recover accurately both the Kondo induced peak in the specific heat at low temperatures as well as the high-temperature peak due to the resonant level. The approach applies to multiorbital and multichannel Anderson impurity models with arbitrary local Coulomb interactions. An application to the Ohmic two-state system and the anisotropic Kondo model is also given, with comparisons to Bethe ansatz calculations. The approach could also be of interest within other impurity solvers, for example, within quantum Monte Carlo techniques.

  17. Quantifying Ab Initio Equation of State Errors for Hydrogen-Helium Mixtures

    Science.gov (United States)

    Clay, Raymond; Morales, Miguel

    2017-06-01

    In order to produce predictive models of Jovian planets, an accurate equation of state for hydrogen-helium mixtures is needed over pressure and temperature ranges spanning multiple orders of magnitude. While extensive theoretical work has been done in this area, previous controversies regarding the equation of state of pure hydrogen have demonstrated exceptional sensitivity to approximations commonly employed in ab initio calculations. To this end, we present the results of our quantum Monte Carlo based benchmarking studies for several major classes of density functionals. Additionally, we expand upon our published results by considering the impact that ionic finite size effects and density functional errors translate to errors in the equation of state. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  18. Hydrogen-related effects in crystalline semiconductors

    International Nuclear Information System (INIS)

    Haller, E.E.

    1988-08-01

    Recent experimental and theoretical information regarding the states of hydrogen in crystalline semiconductors is reviewed. The abundance of results illustrates that hydrogen does not preferentially occupy a few specific lattice sites but that it binds to native defects and impurities, forming a large variety of neutral and electrically active complexes. The study of hydrogen passivated shallow acceptors and donors and of partially passivated multivalent acceptors has yielded information on the electronic and real space structure and on the chemical composition of these complexes. Infrared spectroscopy, ion channeling, hydrogen isotope substitution and electric field drift experiments have shown that both static trigonal complexes as well as centers with tunneling hydrogen exist. Total energy calculations indicate that the charge state of the hydrogen ion which leads to passivation dominates, i.e., H + in p-type and H/sup /minus// in n-type crystals. Recent theoretical calculations indicate that is unlikely for a large fraction of the atomic hydrogen to exist in its neutral state, a result which is consistent with the total absence of any Electron Paramagnetic Resonance (EPR) signal. An alternative explanation for this result is the formation of H 2 . Despite the numerous experimental and theoretical results on hydrogen-related effects in Ge and Si there remains a wealth of interesting physics to be explored, especially in compound and alloy semiconductors. 6 refs., 6 figs

  19. Impurity control in TFTR

    International Nuclear Information System (INIS)

    Cecchi, J.L.

    1980-06-01

    The control of impurities in TFTR will be a particularly difficult problem due to the large energy and particle fluxes expected in the device. As part of the TFTR Flexibility Modification (TEM) project, a program has been implemented to address this problem. Transport code simulations are used to infer an impurity limit criterion as a function of the impurity atomic number. The configurational designs of the limiters and associated protective plates are discussed along with the consideration of thermal and mechanical loads due to normal plasma operation, neutral beams, and plasma disruptions. A summary is given of the materials-related research, which has been a collaborative effort involving groups at Argonne National Laboratory, Sandia Laboratories, and Princeton Plasma Physics Laboratory. Conceptual designs are shown for getterng systems capable of regenerating absorbed tritium. Research on this topic by groups at the previously mentioned laboratories and SAES Research Laboratory is reviewed

  20. Optical density of states in ultradilute GaAsN alloy: Coexistence of free excitons and impurity band of localized and delocalized states

    Energy Technology Data Exchange (ETDEWEB)

    Bhuyan, Sumi; Pal, Bipul; Bansal, Bhavtosh, E-mail: bhavtosh@iiserkol.ac.in [Indian Institute of Science Education and Research Kolkata, Mohanpur Campus, Nadia 741252, West Bengal (India); Das, Sanat K.; Dhar, Sunanda [Department of Electronic Science, University of Calcutta, 92 A.P.C. Road, Kolkata 700009 (India)

    2014-07-14

    Optically active states in liquid phase epitaxy-grown ultra-dilute GaAsN are studied. The feature-rich low temperature photoluminescence spectrum has contributions from excitonic band states of the GaAsN alloy, and two types of defect states—localized and extended. The degree of delocalization for extended states both within the conduction and defect bands, characterized by the electron temperature, is found to be similar. The degree of localization in the defect band is analyzed by the strength of the phonon replicas. Stronger emission from these localized states is attributed to their giant oscillator strength.

  1. Excited state hydrogen bonding fluorescent probe: Role of structure and environment

    Energy Technology Data Exchange (ETDEWEB)

    Dey, Debarati, E-mail: debaratidey07@gmail.com [Department of Chemistry, Vidyasagar College, 39 Sankar Ghosh Lane, Kolkata 700006 (India); Sarangi, Manas Kumar [Chemical Sciences Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India); Ray, Angana; Bhattacharyya, Dhananjay [Computational Science Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India); Maity, Dilip Kumar [Department of Chemistry, University College of Science and Technology, 92 A.P.C. Road, Kolkata 700009 (India)

    2016-05-15

    An environment sensitive fluorescent probe, 11-benzoyl-dibenzo[a,c]phenazine (BDBPZ), has been synthesized and characterized that acts via excited state hydrogen bonding (ESHB). On interaction with hydrogen bond donating solvents the fluorescence intensity of BDBPZ increases abruptly with a concomitant bathochromic shift. The extent of fluorescence increment and the red-shift of λ{sub max} depend on hydrogen bond donating ability of the solvent associated. ESHB restricts the free rotation of the benzoyl group and hence blocks the non-radiative deactivation pathway. BDBPZ forms an exciplex with organic amine in nonpolar medium that readily disappears on increasing the polarity of the solvent. In polar environment the fluorescence of both the free molecule and excited state hydrogen bonded species are quenched on addition of amine unlike its parent dibenzo[a,c]phenazine (DBPZ), that remains very much inaccessible towards the solvent as well as quencher molecules due to its structure. This newly synthesized derivative BDBPZ is much more interactive due to the benzoyl group that is flanked outside the skeletal aromatic rings of DBPZ, which helps to sense the environment properly and thus shows better ESHB capacity than DBPZ.

  2. Impurity-generated non-Abelions

    Science.gov (United States)

    Simion, G.; Kazakov, A.; Rokhinson, L. P.; Wojtowicz, T.; Lyanda-Geller, Y. B.

    2018-06-01

    Two classes of topological superconductors and Majorana modes in condensed matter systems are known to date: one in which disorder induced by impurities strongly suppresses topological superconducting gap and is detrimental to Majorana modes, and another where Majorana fermions are protected by a disorder-robust topological superconductor gap. Observation and control of Majorana fermions and other non-Abelions often requires a symmetry of an underlying system leading to a gap in the single-particle or quasiparticle spectra. In semiconductor structures, impurities that provide charge carriers introduce states into the gap and enable conductance and proximity-induced superconductivity via the in-gap states. Thus a third class of topological superconductivity and Majorana modes emerges, in which topological superconductivity and Majorana fermions appear exclusively when impurities generate in-gap states. We show that impurity-enabled topological superconductivity is realized in a quantum Hall ferromagnet, when a helical domain wall is coupled to an s -wave superconductor. As an example of emergence of topological superconductivity in quantum Hall ferromagnets, we consider the integer quantum Hall effect in Mn-doped CdTe quantum wells. Recent experiments on transport through the quantum Hall ferromagnet domain wall in this system indicated a vital role of impurities in the conductance, but left unresolved the question whether impurities preclude generation of Majorana fermions and other non-Abelions in such systems in general. Here, solving a general quantum-mechanical problem of impurity bound states in a system of spin-orbit coupled Landau levels, we demonstrate that impurity-induced Majorana modes emerge at boundaries between topological and conventional superconducting states generated in a domain wall due to proximity to an s superconductor. We consider both short-range disorder and a smooth random potential. The phase diagram of the system is defined by

  3. On the effect of image states on resonant neutralization of hydrogen anions near metal surfaces

    International Nuclear Information System (INIS)

    Chakraborty, Himadri S.; Niederhausen, Thomas; Thumm, Uwe

    2005-01-01

    We directly assess the role of image state electronic structures on the ion-survival by comparing the resonant charge transfer dynamics of hydrogen anions near Pd(1 1 1), Pd(1 0 0), and Ag(1 1 1) surfaces. Our simulations show that image states that are degenerate with the metal conduction band favor the recapture of electrons by outgoing ions. In sharp contrast, localized image states that occur inside the band gap hinder the recapture process and thus enhance the ion-neutralization probability

  4. State of the art on hydrogen passive auto-catalytic recombiner (european union Parsoar project)

    International Nuclear Information System (INIS)

    Arnould, F.; Bachellerie, E.; Auglaire, M.; Boeck, B. de; Braillard, O.; Eckardt, B.; Ferroni, F.; Moffett, R.; Van Goethem, G.

    2001-01-01

    This paper presents an overview of the European Union PARSOAR project, which consists in carrying out a state of the art on hydrogen passive auto-catalytic recombiner (PAR) and a handbook guide for implementing these devices in nuclear power plants. This work is performed in the area ''Operational Safety of Existing Installations'' of the key action ''Nuclear Fission'' of the fifth Euratom Framework Programme (1998-2002). (author)

  5. State of the art on hydrogen passive auto-catalytic recombiner (european union Parsoar project)

    Energy Technology Data Exchange (ETDEWEB)

    Arnould, F.; Bachellerie, E. [Technicatome, 13 - Aix en Provence (France); Auglaire, M. [Tractebel Energy Engineering, Brussels (Belgium); Boeck, B. de [Association Vincotte Nuclear, Brussels (Belgium); Braillard, O. [CEA Cadarache, 13 - Saint Paul lez Durance (France); Eckardt, B. [Siemens AG, Offenbach am Main (Germany); Ferroni, F. [Electrowatt Engineering Limited, Zurich (Switzerland); Moffett, R. [Atomic Energy Canada Limited, Pinawa (Canada); Van Goethem, G. [European Commission, Brussels (Belgium)

    2001-07-01

    This paper presents an overview of the European Union PARSOAR project, which consists in carrying out a state of the art on hydrogen passive auto-catalytic recombiner (PAR) and a handbook guide for implementing these devices in nuclear power plants. This work is performed in the area ''Operational Safety of Existing Installations'' of the key action ''Nuclear Fission'' of the fifth Euratom Framework Programme (1998-2002). (author)

  6. Enhancement of superconducting state in the system 2H-NbSe2 - hydrogen

    International Nuclear Information System (INIS)

    Obolenskij, M.A.; Beletskij, V.I.; Chashka, Kh.B.; Basteev, A.V.

    1984-01-01

    The enhancement of the upper critical field and superconducting temperature of Hsub(x)NbSesub(2) system (x<=0.01) was experimentally observed. This phenomenon is observed after cycling influence by the external magnetic field at temperatures lower than the critical temperature of superconducting transition Tsub(c). The authors think that this effect is connected with hydrogen ordering in the field of moving vortex lattice in dynamically mixed state

  7. Hydrogen-like atom in laser field: Invariant atomic parameters in the ground state

    International Nuclear Information System (INIS)

    Bondarev, I.V.; Kuten, S.A.

    1994-07-01

    The invariant atomic parameters (dynamical vector and tensor polarizabilities) of hydrogen-like atom in the ground 1S 1/2 state are calculated analytically by means of the Laplace transform of the radial Schroedinger equation. The obtained analytical expressions have been written in the compact form as a sum of linear and squared combinations of Gauss hypergeometric functions 2 F 1 . The frequency dependence of the invariant atomic parameters is analyzed. (author). 24 refs, 1 fig

  8. The electromagnetic virtual cloud of the ground-state hydrogen atom - a quantum field theory approach

    International Nuclear Information System (INIS)

    Radozycki, T.

    1990-01-01

    The properties of the virtual cloud around the hydrogen atom in the ground state are studied with the use of quantum field theory methods. The relativistic expression for the electromagnetic energy density around the atom, with the electron spin taken into account, is obtained. The distribution of the angular momentum contained in the cloud and the self-interaction kernel for the electrons bound in atom are also investigated. (author)

  9. Dynamical impurity problems

    International Nuclear Information System (INIS)

    Emery, V.J.; Kivelson, S.A.

    1993-01-01

    In the past few years there has been a resurgence of interest in dynamical impurity problems, as a result of developments in the theory of correlated electron systems. The general dynamical impurity problem is a set of conduction electrons interacting with an impurity which has internal degrees of freedom. The simplest and earliest example, the Kondo problem, has attracted interest since the mid-sixties not only because of its physical importance but also as an example of a model displaying logarithmic divergences order by order in perturbation theory. It provided one of the earliest applications of the renormalization group method, which is designed to deal with just such a situation. As we shall see, the antiferromagnetic Kondo model is controlled by a strong-coupling fixed point, and the essence of the renormalization group solution is to carry out the global renormalization numerically starting from the original (weak-coupling) Hamiltonian. In these lectures, we shall describe an alternative route in which we identify an exactly solvable model which renormalizes to the same fixed point as the original dynamical impurity problem. This approach is akin to determining the critical behavior at a second order phase transition point by solving any model in a given universality class

  10. Dynamical impurity problems

    Energy Technology Data Exchange (ETDEWEB)

    Emery, V.J. [Brookhaven National Lab., Upton, NY (United States); Kivelson, S.A. [California Univ., Los Angeles, CA (United States). Dept. of Physics

    1993-12-31

    In the past few years there has been a resurgence of interest in dynamical impurity problems, as a result of developments in the theory of correlated electron systems. The general dynamical impurity problem is a set of conduction electrons interacting with an impurity which has internal degrees of freedom. The simplest and earliest example, the Kondo problem, has attracted interest since the mid-sixties not only because of its physical importance but also as an example of a model displaying logarithmic divergences order by order in perturbation theory. It provided one of the earliest applications of the renormalization group method, which is designed to deal with just such a situation. As we shall see, the antiferromagnetic Kondo model is controlled by a strong-coupling fixed point, and the essence of the renormalization group solution is to carry out the global renormalization numerically starting from the original (weak-coupling) Hamiltonian. In these lectures, we shall describe an alternative route in which we identify an exactly solvable model which renormalizes to the same fixed point as the original dynamical impurity problem. This approach is akin to determining the critical behavior at a second order phase transition point by solving any model in a given universality class.

  11. Magnetic impurity coupled to interacting conduction electrons

    International Nuclear Information System (INIS)

    Schork, T.

    1996-01-01

    We consider a magnetic impurity which interacts by hybridization with a system of weakly correlated electrons and determine the energy of the ground state by means of a 1/N f expansion. The correlations among the conduction electrons are described by a Hubbard Hamiltonian and are treated to the lowest order in the interaction strength. We find that their effect on the Kondo temperature, T K , in the Kondo limit is twofold: first, the position of the impurity level is shifted due to the reduction of charge fluctuations, which reduces T K . Secondly, the bare Kondo exchange coupling is enhanced as spin fluctuations are enlarged. In total, T K increases. Both corrections require intermediate states beyond the standard Varma-Yafet ansatz. This shows that the Hubbard interaction does not just provide quasiparticles, which hybridize with the impurity, but also renormalizes the Kondo coupling. copyright 1996 The American Physical Society

  12. Ground-state populations of atomic hydrogen and hydrogen-like ions in nonthermal plasmas, and collisional-radiative recombination and ionization coefficients

    International Nuclear Information System (INIS)

    Drawin, H.W.; Emard, F.

    1978-01-01

    The populations of atomic hydrogen and hydrogen-like ions have been calculated using a collisional-radiative model. The global collisional-radiative excitation coefficients rsub(j)sup((0)) and rsub(j)sup((1)) valid for homogeneous-stationary and/or quasi-homogeneous quasi-stationary plasmas were published recently. The present paper contains in tabulated form the ground state populations and Saha decrements for the homogeneous stationary state, and the collisional-radiative recombination and ionization coefficients. (Auth.)

  13. Impurities and conductivity in a D-wave superconductor

    International Nuclear Information System (INIS)

    Balatsky, A.V.

    1994-01-01

    Impurity scattering in the unitary limit produces low energy quasiparticles with anisotropic spectrum in a two-dimensional d-wave superconductor. The authors describe a new quasi-one-dimensional limit of the quasiparticle scattering, which might occur in a superconductor with short coherence length and with finite impurity potential range. The dc conductivity in a d-wave superconductor is predicted to be proportional to the normal state scattering rate and is impurity-dependent. They show that quasi-one-dimensional regime might occur in high-T c superconductors with Zn impurities at low temperatures T approx-lt 10 K

  14. Effects of a transition to a hydrogen economy on employment in the United States Report to Congress

    Energy Technology Data Exchange (ETDEWEB)

    None, None

    2008-07-01

    DOE's Effects of a Transition to a Hydrogen Economy on Employment in the United States Report to Congress estimates the employment effects of a transformation of the U.S. economy to the use of hydrogen in the 2020 to 2050 timeframe. This report fulfills requirements of section 1820 of the Energy Policy Act of 2005.

  15. On impurity handling in high performance stellarator/heliotron plasmas

    International Nuclear Information System (INIS)

    Burhenn, R.; Feng, Y.; Ida, K.

    2008-10-01

    The Large Helical Device (LHD) and Wendelstein 7-X (W7-X, under construction) are experiments specially designed to demonstrate long pulse (quasi steady-state) operation, which is an intrinsic property of Stellarators and Heliotrons. Significant progress was made in establishment of high performance plasmas. A crucial point is the increasing impurity confinement towards high density as observed at several machines (TJ-II, W7-AS, LHD) which can lead to impurity accumulation and early pulse termination by radiation collapse at high density. In addition, theoretical predictions for non-axisymmetric configurations prognosticate the absence of impurity screening by ion temperature gradients in standard ion root plasmas. Nevertheless, scenarios were found where impurity accumulation was successfully avoided in LHD and/or W7-AS by the onset of drag forces in the high density and low temperature scrape-off-layer, the generation of magnetic islands at the plasma boundary and to a certain degree also by ELMs, flushing out impurities and reducing the net-impurity influx into the core. Additionally, a reduction of impurity core confinement was observed in the W7-AS High Density H-mode (HDH) regime and by application of sufficient ECRH heating power. The exploration of such purification mechanisms is a demanding task for successful steady-state operation. The impurity transport at the plasma edge/SOL was identified to play a major role for the global impurity behaviour in addition to the core confinement. (author)

  16. Dynamic study of excited state hydrogen-bonded complexes of harmane in cyclohexane-toluene mixtures.

    Science.gov (United States)

    Carmona, Carmen; Balón, Manuel; Galán, Manuel; Guardado, Pilar; Muñoz, María A

    2002-09-01

    Photoinduced proton transfer reactions of harmane or 1-methyl-9H-pyrido[3,4-b]indole (HN) in the presence of the proton donor hexafluoroisopropanol (HFIP) in cyclohexane-toluene mixtures (CY-TL; 10% vol/vol of TL) have been studied. Three excited state species have been identified: a 1:2 hydrogen-bonded proton transfer complex (PTC), between the pyridinic nitrogen of the substrate and the proton donor, a hydrogen-bonded cation-like exciplex (CL*) with a stoichiometry of at least 1:3 and a zwitterionic exciplex (Z*). Time-resolved fluorescence measurements evidence that upon excitation of ground state PTC, an excited state equilibrium is established between PTC* and the cationlike exciplex, CL*, lambdaem approximately/= 390 nm. This excited state reaction is assisted by another proton donor molecule. Further reaction of CL* with an additional HFIP molecule produces the zwitterionic species, Z*, lambda(em) approximately/= 500 nm. From the analysis of the multiexponential decays, measured at different emission wavelengths and as a function of HFIP concentration, the mechanism of these excited state reactions has been established. Thus, three rate constants and three reciprocal lifetimes have been determined. The simultaneous study of 1,9-dimethyl-9H-pyrido[3,4-b]indole (MHN) under the same experimental conditions has helped to understand the excited state kinetics of these processes.

  17. Impurity solitons with quadratic nonlinearities

    DEFF Research Database (Denmark)

    Clausen, Carl A. Balslev; Torres, Juan P-; Torner, Lluis

    1998-01-01

    We fmd families of solitary waves mediated by parametric mixing in quadratic nonlinear media that are localized at point-defect impurities. Solitons localized at attractive impurities are found to be dynamically stable. It is shown that localization at the impurity modifies strongly the soliton...

  18. Variational-integral perturbation corrections of some lower excited states for hydrogen atoms in magnetic fields

    International Nuclear Information System (INIS)

    Yuan Lin; Zhou Ben-Hu; Zhao Yun-Hui; Xu Jun; Hai Wen-Hua

    2012-01-01

    A variational-integral perturbation method (VIPM) is established by combining the variational perturbation with the integral perturbation. The first-order corrected wave functions are constructed, and the second-order energy corrections for the ground state and several lower excited states are calculated by applying the VIPM to the hydrogen atom in a strong uniform magnetic field. Our calculations demonstrated that the energy calculated by the VIPM only shows a negative value, which indicates that the VIPM method is more accurate than the other methods. Our study indicated that the VIPM can not only increase the accuracy of the results but also keep the convergence of the wave functions

  19. Traces of Lorentz symmetry breaking in a hydrogen atom at ground state

    Science.gov (United States)

    Borges, L. H. C.; Barone, F. A.

    2016-02-01

    Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schrödinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector.

  20. Traces of Lorentz symmetry breaking in a hydrogen atom at ground state

    Energy Technology Data Exchange (ETDEWEB)

    Borges, L.H.C. [Universidade Federal do ABC, Centro de Ciencias Naturais e Humanas, Santo Andre, SP (Brazil); Barone, F.A. [IFQ-Universidade Federal de Itajuba, Itajuba, MG (Brazil)

    2016-02-15

    Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schroedinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector. (orig.)

  1. Traces of Lorentz symmetry breaking in a hydrogen atom at ground state

    International Nuclear Information System (INIS)

    Borges, L.H.C.; Barone, F.A.

    2016-01-01

    Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schroedinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector. (orig.)

  2. Interactions of solid and liquid lithium with steady state hydrogen and helium plasmas

    International Nuclear Information System (INIS)

    Hirooka, Y.; Nishikawa, M.; Ohgaki, H.; Ohtsuka, Y.

    2005-01-01

    A variety of innovative Plasma-Facing Component (PFC) concepts, employing moving solid or liquid surfaces, have recently been proposed in order to resolve technical issues, associated with the applications of currently used PFCs in future steady state fusion devices. As the first step to evaluate the concept using flowing-liquids for PFCs, steady state hydrogen and helium plasma interactions with solid and standing liquid lithium have been investigated in the present work, using the H α and He-I spectroscopy at the ion bombarding energies up to 150eV and at the lithium temperatures between room temperature and 480 deg C. Data indicate that hydrogen recycling over liquid lithium is clearly reduced, relative to that over solid lithium, whereas helium recycling does not show the same trend. From the kinetic analysis of these recycling time constant data, the activation energies for the overall recycling processes have been evaluated to be 0.02±0.01eV, both for hydrogen and helium plasmas. Also, it has been found that the activation energy is nearly independent of ion bombarding energy. (author)

  3. Multi-state system in a fault tree analysis of a nuclear based thermochemical hydrogen plant

    International Nuclear Information System (INIS)

    Zhang, Y.

    2008-01-01

    Nuclear-based hydrogen generation is a promising way to supply hydrogen for this large market in the future. This thesis focuses on one of the most promising methods, a thermochemical Cu-Cl cycle, which is currently under development by UOIT, Atomic Energy of Canada Limited (AECL) and the Argonne National Laboratory (ANL). The safety issues of the Cu-Cl cycle are addressed in this thesis. An investigation of major accident scenarios shows that potential tragedies can be avoided with effective risk analysis and safety management programs. As a powerful and systematic tool, fault tree analysis (FTA) is adapted to the particular needs of the Cu-Cl system. This thesis develops a new method that combines FTA with a reliability analysis tool, multi-state system (MSS), to improve the accuracy of FTA and also improve system reliability. (author)

  4. Tank designs for combined high pressure gas and solid state hydrogen storage

    DEFF Research Database (Denmark)

    Mazzucco, Andrea

    Many challenges have still to be overcome in order to establish a solid ground for significant market penetration of fuel cell hydrogen vehicles. The development of an effective solution for on-board hydrogen storage is one of the main technical tasks that need to be tackled. The present thesis...... deals with the development of a simulation tool to design and compare different vehicular storage options with respect to targets based upon storage and fueling efficiencies. The set targets represent performance improvements with regard to the state-of-the-art technology and are separately defined...... volume. Heat transfer augmentation techniques (e.g. encapsulation) are found to be the reward strategy to achieve the same stored mass and fueling time of the standard technology, while enabling ambient temperature fueling and save the energy cooling demand (4.2 MJ per fueling) at the refueling station....

  5. Physical reason for quantum behaviour of the electron and stability of the main state of the hydrogen atom

    International Nuclear Information System (INIS)

    Rangelov, J.M.

    1986-01-01

    An electron model is proposed explaining the physical reasons for its nonrelativistic quantum-mechanical behaviour, the origin of its own mechanical and magnetic momentum and field energy. As an example the main electron state in hydrogen atom is obtained

  6. Impurity studies in the advanced toroidal facility

    International Nuclear Information System (INIS)

    Isler, R.C.; Horton, L.D.; Crume, E.C.; Howe, H.C.; Voronov, G.S.

    1989-01-01

    Impurities have played an important role in the initial stages of operation of the Advanced Toroidal Facility. Cleanup practices have been adequate enough that plasmas heated by ECH only can be operated in a quasi-steady state; however, neutral beam injected plasmas always collapse to a low temperature. It is not clear whether impurity radiation is actually responsible for initiating the collapse, but at the time the stored energy reaches a maximum, there are indications of poloidal asymmetries in radiation from low ionization stages, such as observed in marfes, which could play a dominant role in the plasma evolution. 3 refs., 5 figs

  7. Purification of simple substances by distillation with impurity hydrothermal oxidation

    International Nuclear Information System (INIS)

    Kalashnik, O.N.; Nisel'son, L.A.

    1987-01-01

    A possibility of applying distillation method in water vapours for purification of simple substances from impurities is studied. Based on thermodynamic analysis of interaction processes in E-H 2 O system, conducted using a computer, it is as certained that SS, Se, Te, As, Cd, Hg can be purified from the majority of the impurities analysed by distillation in a water vapour flow. Behaviour of Zn, C, Ge, Al, Sb characteristic impurities under cadmium, arsenic and tellurium distillation is studied. Experiments on cadmium, arsenic and tellurium purification have confirmed, that distillation with hydrothermal oxidation of Zn, C, Ge impurities sometimes appears to be a more effective method as compared to distillation in a hydrogen flow

  8. Distribution of impurity states and charge transport in Zr{sub 0.25}Hf{sub 0.75}Ni{sub 1+x}Sn{sub 1−y}Sb{sub y} nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yuanfeng; Makongo, Julien P.A. [Laboratory for Emerging Energy and Electronic Materials, Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI 48109 (United States); Page, Alexander [Department of Physics, University of Michigan, Ann Arbor, MI 48109 (United States); Sahoo, Pranati [Laboratory for Emerging Energy and Electronic Materials, Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI 48109 (United States); Uher, Ctirad [Department of Physics, University of Michigan, Ann Arbor, MI 48109 (United States); Stokes, Kevin [The Advanced Materials Research Institute, Department of Physics, University of New Orleans, New Orleans, LA 70148 (United States); Poudeu, Pierre F.P., E-mail: ppoudeup@umich.edu [Laboratory for Emerging Energy and Electronic Materials, Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI 48109 (United States)

    2016-02-15

    Energy filtering of charge carriers in a semiconducting matrix using atomically coherent nanostructures can lead to a significant improvement of the thermoelectric figure of merit of the resulting composite. In this work, several half-Heusler/full-Heusler (HH/FH) nanocomposites with general compositions Zr{sub 0.25}Hf{sub 0.75}Ni{sub 1+x}Sn{sub 1−y}Sb{sub y} (0≤x≤0.15 and y=0.005, 0.01 and 0.025) were synthesized in order to investigate the behavior of extrinsic carriers at the HH/FH interfaces. Electronic transport data showed that energy filtering of carriers at the HH/FH interfaces in Zr{sub 0.25}Hf{sub 0.75}Ni{sub 1+x}Sn{sub 1−y}Sb{sub y} samples strongly depends on the doping level (y value) as well as the energy levels occupied by impurity states in the samples. For example, it was found that carrier filtering at HH/FH interfaces is negligible in Zr{sub 0.25}Hf{sub 0.75}Ni{sub 1+x}Sn{sub 1−y}Sb{sub y} (y=0.01 and 0.025) composites where donor states originating from Sb dopant dominate electronic conduction. However, we observed a drastic decrease in the effective carrier density upon introduction of HH/FH interfaces for the mechanically alloyed Zr{sub 0.25}Hf{sub 0.75}Ni{sub 1+x}Sn{sub 0.995}Sb{sub 0.005} samples where donor states from unintentional Fe impurities contribute the largest fraction of conduction electrons. This work demonstrates the ability to synergistically integrate the concepts of doping and energy filtering through nanostructuring for the optimization of electronic transport in semiconductors. - Graphical abstract: Electronic transport in semiconducting half-Heusler (HH) matrices containing full-Heusler (FH) nanoinclusions strongly depends on the energy distribution of impurity states within the HH matrix with respect to the magnitude of the potential energy barrier at the HH/FH interfaces. - Highlights: • Coherent nanostructures enhanced thermoelectric behavior of half-Heusler alloys. • Nanostructures act as energy filter of

  9. Influence of Impurities on the Fuel Retention in Fusion Reactors

    OpenAIRE

    Reinhart, Michael

    2015-01-01

    The topic of this thesis is the influence of plasma impurities on the hydrogen retentionin metals, in the scope of plasma-wall-interaction research for fusion reactors.This is addressed experimentally and by modelling. The mechanisms of the hydrogenretention are influenced by various parameters like the wall temperature, ionenergy, flux and fluence as well as the plasma composition. The plasma compositionis a relevant factor for hydrogen retention in fusion reactors, as their plasma willalso ...

  10. Spin-1 two-impurity Kondo problem on a lattice

    Science.gov (United States)

    Allerdt, A.; Žitko, R.; Feiguin, A. E.

    2018-01-01

    We present an extensive study of the two-impurity Kondo problem for spin-1 adatoms on a square lattice using an exact canonical transformation to map the problem onto an effective one-dimensional system that can be numerically solved using the density matrix renormalization group method. We provide a simple intuitive picture and identify the different regimes, depending on the distance between the two impurities, Kondo coupling JK, longitudinal anisotropy D , and transverse anisotropy E . In the isotropic case, two impurities on opposite (the same) sublattices have a singlet (triplet) ground state. However, the energy difference between the triplet ground state and the singlet excited state is very small and we expect an effectively fourfold-degenerate ground state, i.e., two decoupled impurities. For large enough JK the impurities are practically uncorrelated forming two independent underscreened states with the conduction electrons, a clear nonperturbative effect. When the impurities are entangled in an RKKY-like state, Kondo correlations persist and the two effects coexist: the impurities are underscreened, and the dangling spin-1 /2 degrees of freedom are responsible for the interimpurity entanglement. We analyze the effects of magnetic anisotropy in the development of quasiclassical correlations.

  11. States and transport of hydrogen in the corrosion process of an AZ91 magnesium alloy in aqueous solution

    International Nuclear Information System (INIS)

    Chen Jian; Wang Jianqiu; Han Enhou; Dong Junhua; Ke Wei

    2008-01-01

    Mott-Schottky measurement and secondary ion mass spectroscopy (SIMS) were used to investigate the states and transport of hydrogen during the corrosion behavior of an AZ91 magnesium alloy in 0.1 M sodium sulfate solution. The results showed that when samples were immersed or charged in solution, hydrogen atoms diffused into the film and reacted with vacancy to cause the increases of the carrier concentration (excess electron or hole carrier) and diffusion rate of hydrogen. Some hydrogen atoms diffused to interior of matrix and enriched in β phase while others resorted in the corrosive film. With the increase of immersion or charging time, magnesium hydride would be brittle fractured when the inner stress caused by hydrogen pressure and expansion stress of formation of magnesium hydride was above the fracture strength, which provided the direct experimental evidence of the hydrogen embrittlement (HE) mechanism of magnesium and its alloys. After immersion in solution, the transfer of excess electrons to the interfaces of corrosion film and solution would destroy the charge equilibrium in the film and stimulate the adsorption of SO 4 2- , which resulted in the initiation of localized corrosion; after cathodic charging and then immersion, the enrichment of hydrogen atoms at interior of corrosion film would combine into hydrogen gas to form high pressure and result in the rupture of corrosion film, and localized corrosion initiated and developed at surface. Therefore, localized corrosion nucleated earlier on the charged samples than on the uncharged samples. Hydrogen invasion accelerated the corrosion of matrix

  12. Perturbation method for calculating impurity binding energy in an ...

    Indian Academy of Sciences (India)

    Nilanjan Sil

    2017-12-18

    Dec 18, 2017 ... Abstract. In the present paper, we have studied the binding energy of the shallow donor hydrogenic impurity, which is confined in an inhomogeneous cylindrical quantum dot (CQD) of GaAs-AlxGa1−xAs. Perturbation method is used to calculate the binding energy within the framework of effective mass ...

  13. Low temperature ultrasonic study of hydrogen in niobium

    International Nuclear Information System (INIS)

    Poker, D.B.

    1979-01-01

    Measurements were made of the velocity and attenuation of ultrasonic waves in niobium containing 1000 ppM oxygen with additional concentrations of hydrogen, to determine the properties of a relaxation of the hydrogen which appears below 10 K. Measurements were made as a function of temperature, frequency, polarization of the ultrasonic wave, hydrogen isotope, and concentration of hydrogen and oxygen. The Birnbaum--Flynn model of hydrogen tunnelling is modified to take into account the trapping of hydrogen by interstitial impurities. An Orbach process is proposed for a relaxation between the degenerate first excited states. Three parameters which are determined by the hydrogen ultrasonic attenuation data are sufficient to describe the properties of this model. The model correctly predicts the presence of unusual features of the relaxation which are not contained in a classical model of hydrogen motion over a potential barrrier; the decrease of the hydrogen relaxation strength at low temperatures, the decrease in velocity below the relaxation temperature without a corresponding effect in the attenuation, and the broadness of the deuterium decrement peak compared to that for hydrogen. A reasonable fit to the velocity data for low concentration of hydrogen is made by the model with no adjustable parameters. A fit to the heat capacity can be made with the addition of parameters representing the strain effects of the oxygen trapping

  14. Role of multiaxial stress state in the hydrogen-assisted rolling-contact fatigue in bearings for wind turbines

    Directory of Open Access Journals (Sweden)

    J. Toribio

    2015-07-01

    Full Text Available Offshore wind turbines often involve important engineering challenges such as the improvement of hydrogen embrittlement resistance of the turbine bearings. These elements frequently suffer the so-called phenomenon of hydrogen-assisted rolling-contact fatigue (HA-RCF as a consequence of the synergic action of the surrounding harsh environment (the lubricant supplying hydrogen to the material and the cyclic multiaxial stress state caused by in-service mechanical loading. Thus the complex phenomenon could be classified as hydrogen-assisted rolling-contact multiaxial fatigue (HA-RC-MF. This paper analyses, from the mechanical and the chemical points of view, the so-called ball-on-rod test, widely used to evaluate the hydrogen embrittlement susceptibility of turbine bearings. Both the stress-strain states and the steady-state hydrogen concentration distribution are studied, so that a better elucidation can be obtained of the potential fracture places where the hydrogen could be more harmful and, consequently, where the turbine bearings could fail during their life in service.

  15. Partial radiative-recombination cross sections for excited states of hydrogen

    International Nuclear Information System (INIS)

    Fazio, P.M.; Copeland, G.E.

    1985-01-01

    The squares of the dipole and quadrupole matrix elements for the free-to-bound transitions of hydrogen up to bound states Vertical Barn = 20,l = 19> are derived in closed analytic form as a function of the kinetic energy of the free electron. Coulomb wave functions are used for the free as well as the bound states and, thus, the results are good for any electron energy. Several interesting effects are found. First, the transition probabilities are maximum for recombination into specific intermediate-angular-momentum states at low energies (w<1 eV) and where the free-state angular momentum is greater than that of the bound state. Further, that specific intermediate-angular-momentum state depends on the kinetic energy of the free electron. This behavior is in contrast to the ''normal'' behavior of the transition strengths where recombination into s states is greatest and decreases with increasing angular momentum. Second, the quadrupole matrix elements vanish for certain velocities of the free electron. These ''zeros'' produce minima in the corresponding quadrupole cross sections. Finally, the calculated partial cross sections for recombination into high-angular-momentum states are greater when quadrupole transitions are included

  16. Excited-state positronium formation from positron--atomic-hydrogen collisions

    International Nuclear Information System (INIS)

    Mandal, C.R.; Mandal, M.; Mukherjee, S.C.

    1991-01-01

    Positronium formation into ground and n=2 levels has been studied in collisions of positrons with atomic hydrogen in the framework of an approximation called the boundary-corrected continuum-intermediate-state (BCCIS) approximation in the energy range of 0.08--2 keV. The conventional continuum-intermediate-state approximation does not satisfy the correct boundary condition. It has been shown that, with a suitable choice of the distorting potential, the boundary condition may be satisfied with a proper account of the intermediate continuum states. It has also been shown that the BCCIS approximation leads to the same transition amplitude as may be derived using the Vainshtein-Presnyakov-Sobelman approximation. The results obtained here are found to be in good agreement when compared with other theoretical results

  17. Relativistic quantum mechanic calculation of photoionization cross-section of hydrogenic and non-hydrogenic states using analytical potentials

    International Nuclear Information System (INIS)

    Rodriguez, R.; Gil, J.M.; Rubiano, J.G.; Florido, R.; Martel, P.; Minguez, E.

    2005-01-01

    Photoionization process is a subject of special importance in many areas of physics. Numerical methods must be used in order to obtain photoionization cross-sections for non-hydrogenic levels. The atomic data required to calculate them is huge so self-consistent calculations increase computing time considerably. Analytical potentials are a useful alternative because they avoid the iterative procedures typical in self-consistent models. In this work, we present a relativistic quantum calculation of photoionization cross-sections for isolated ions based on an analytical potential to obtain the required atomic data, which is valid both for hydrogenic and non-hydrogenic ions. Comparisons between our results and others obtained using either widely used analytical expressions for the cross-sections or more sophisticated calculations are done

  18. Nickel-hydrogen battery state of charge management in the absence of active cooling

    Energy Technology Data Exchange (ETDEWEB)

    Lurie, C.; Foroozan, S. [TRW, Redondo Beach, CA (United States); Brewer, J.; Jackson, L.G. [NASA, Huntsville, AL (United States). Marshall Space Flight Center

    1995-12-31

    Battery management during prelaunch activities has always required special attention and careful planning. `ne transition from nickel-cadmium to nickel-hydrogen batteries, with their higher self discharge rate and lower charge efficiency, as well as longer prelaunch scenarios, have made this aspect of spacecraft management even more challenging. The NASA AXAF-I Program requires high battery state of charge at launch. The use of active cooling, to ensure adequate state of charge during prelaunch charge, trickle charge, and stand was considered and proved to be expensive and difficult to implement. Alternate approaches were considered. A procedure including optimized charging and low rate (hydrogen batteries can achieve and maintain high states of charge, in the absence of active cooling, using the approach described in this paper.

  19. Relativistic Quadrupole Polarizability for the Ground State of Hydrogen-Like Ions

    International Nuclear Information System (INIS)

    Zhang Yong-Hu; Zhang Xian-Zhou; Tang Li-Yan; Shi Ting-Yun; Mitroy Jim

    2012-01-01

    The static quadrupole polarizabilities for hydrogen-like ions from Z = 1 to Z = 100 in the 1S 1/2 ground state are calculated to high precision by solving the Dirac equation using the B-spline Galerkin method. The results are consistent with the expression of Kaneko [J. Phys. B 10 (1977) 3347] at low Z. The quadrupole oscillator strength sum Σ n f (2) gn is computed to be zero to a very high degree of precision. (atomic and molecular physics)

  20. Existence of a ground state for the confined hydrogen atom in non-relativistic QED

    International Nuclear Information System (INIS)

    Amour, Laurent; Faupin, Jeremy

    2008-01-01

    We consider a system of a hydrogen atom interacting with the quantized electromagnetic field. Instead of fixing the nucleus, we assume that the system is confined by its center of mass. This model is used in theoretical physics to explain the Lamb-Dicke effect. After a brief review of the literature, we explain how to verify some properly chosen binding conditions which lead to the existence of a ground state for our model, and for all values of the fine-structure constant

  1. Impurities that cause difficulty in stripping actinides from commercial tetraalkylcarbamoylmethylphosphonates

    International Nuclear Information System (INIS)

    Bahner, C.T.; Shoun, R.R.; McDowell, W.J.

    1977-09-01

    Dihexyl[(diethylcarbamoyl)methyl]phosphonate (DHDECMP) in diethylbenzene extracts actinides well from 6 M nitric acid solution, but commercially available DHDECMP contains impurities which interfere with stripping the actinides from the organic extract. DHDECMP purified by molecular distillation does not contain these impurities, but the pot residue contains increased concentrations of them. Heating the purified DHDECMP causes the formation of products which interfere with stripping in the same way, suggesting that high temperatures employed in the manufacture of DHDECMP may produce the offending impurities. These impurities can be separated from the heat-decomposed material or the pot residues by dilution with a large volume of hexanes (causing part of the impurities to separate as a second liquid phase) followed by equilibration of the hexane solution with dilute alkali. After the treatment with hexane and dilute alkali, the DHDECMP is readily recovered and functions well in the actinide extraction process. Dibutyl[(dibutylcarbamoyl)methyl]-phosphonate (DBDBCMP) and di(2-ethylhexyl)[(diethylcarbamoyl)-methyl]phosphonate (DEHDECMP) are purified less effectively by these methods. Similar separation methods using diethylbenzene or CCl 4 as solvent do not remove impurities as completely as the hexane process. Impurities can also be removed from a benzene solution of the DHDECMP pot residue by passing it through a column packed with silica gel or diethylaminoethyl cellulose. These impurities have been separated into fractions for analytical examination by use of various solvents and by column chromatography. Hexyl hydrogen [(diethylcarbamoyl)methyl]-phosphonate has been identified tentatively as a principal objectionable impurity. Dihexyl phosphoric acid and possibly dihexylphosphonate have been identified in other fractions

  2. Boron, nitrogen, and nickel impurities in GeC nanoribbons: A first-principles investigation

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Zhuo; Li, Yangping, E-mail: liyp@nwpu.edu.cn; Liu, Zhengtang

    2017-07-01

    Highlights: • The impurities preferentially substitutes the Ge atom at the ribbon edge. • The impurities could result in a reduction of the band gap of 7-AGeCNR. • The impurities turns the metallic behavior of 4-ZGeCNR into semiconductor. • The impurities could change the magnetic moment of 4-ZGeCNR. • The impurities could introduce magnetic moments into the non-magnetic 7-AGeCNR. - Abstract: Using first-principles calculations based on the density functional theory we investigated the structural, electronic and magnetic properties of substitutional boron, nitrogen, and nickel impurities in germanium carbide (GeC) nanoribbons. Hydrogen terminated GeC ribbons with armchair and zigzag edges are considered here. We observed that all three impurities preferentially substitutes the Ge atom at the ribbon edge. In addition, the electronic band structures of the doped systems indicate that (i) the impurities could introduce impurity bands in the band gap and resulting in a reduction of the band gap of 7-AGeCNR, (ii) the metallic behavior of 4-ZGeCNR turns into semiconductor because of the incorporation of the impurities, (iii) the impurities could change the magnetic moment of 4-ZGeCNR and even introduce magnetic moment into the non-magnetic 7-AGeCNR.

  3. Excitation and ionization of hydrogen and helium atoms by femtosecond laser pulses: theoretical approach by Coulomb-Volkov states

    International Nuclear Information System (INIS)

    Guichard, R.

    2007-12-01

    We present a theoretical approach using Coulomb-Volkov states that appears useful for the study of atomic multi-photonic processes induced by intense XUV femtosecond laser pulses. It predicts hydrogen ionization spectra when it is irradiated by laser pulses in perturbations conditions. Three ways have been investigated. Extension to strong fields when ℎω > I p : it requires to include the hydrogen ground state population, introducing it in standard Coulomb-Volkov amplitude leads to saturated multi-photonic ionization. Extension to multi-photonic transitions with ℎω p : new quantum paths are open by the possibility to excite the lower hydrogen bound states. Multiphoton excitation of these states is investigated using a Coulomb-Volkov approach. Extension to helium: two-photon double ionization study shows the influence of electronic correlations in both ground and final state. Huge quantity of information such as angular and energetic distributions as well as total cross sections is available. (author)

  4. Evaluation of determinative methods for sodium impurities

    International Nuclear Information System (INIS)

    Molinari, Marcelo; Guido, Osvaldo; Botbol, Jose; Ares, Osvaldo

    1988-01-01

    Sodium, universally accepted as heat transfer fluid in fast breeder reactors, requires a special technology for every operation involved in any applicable methodology, due to its well known chemical reactivity. The purpose of this work is: a) to study the sources and effects of chemical species which, as traces, accompany sodium used in the nuclear field; b) to classify, taking into account, the present requirements and resources of the National Atomic Energy Commission (CNEA), the procedures found in the literature for determination of the most important impurities which exist in experimental liquid sodium systems and c) to describe the principles of the methods and to evaluate them in order to make a selection. It was concluded the convenience to develop, as a first stage, laboratory procedures to determine carbon, oxygen, hydrogen and non-volatile impurities, which besides serving present needs, will be referential for direct methods with undeferred response. The latter are needed in liquid sodium experimental loops and require, primarily, more complex and extended development. Additionally, a description is made of experimental work performed up-to-now in this laboratory, consisting of a transfer device for sodium sampling and a sodium distillation device, adapted from a previous design, with associated vacuum and inert gas systems. It is intended as a separative technique for indirect determination of oxygen and non-volatile impurities. (Author) [es

  5. A GIS-based assessment of coal-based hydrogen infrastructure deployment in the state of Ohio

    International Nuclear Information System (INIS)

    Johnson, Nils; Yang, Christopher; Ogden, Joan

    2008-01-01

    Hydrogen infrastructure costs will vary by region as geographic characteristics and feedstocks differ. This paper proposes a method for optimizing regional hydrogen infrastructure deployment by combining detailed spatial data in a geographic information system (GIS) with a technoeconomic model of hydrogen infrastructure components. The method is applied to a case study in Ohio in which coal-based hydrogen infrastructure with carbon capture and storage (CCS) is modeled for two distribution modes at several steady-state hydrogen vehicle market penetration levels. The paper identifies the optimal infrastructure design at each market penetration as well as the costs, CO 2 emissions, and energy use associated with each infrastructure pathway. The results indicate that aggregating infrastructure at the regional-scale yields lower levelized costs of hydrogen than at the city-level at a given market penetration level, and centralized production with pipeline distribution is the favored pathway even at low market penetration. Based upon the hydrogen infrastructure designs evaluated in this paper, coal-based hydrogen production with CCS can significantly reduce transportation-related CO 2 emissions at a relatively low infrastructure cost and levelized fuel cost. (author)

  6. Impurities in uranium process solutions

    International Nuclear Information System (INIS)

    Boydell, D.W.

    1980-01-01

    Several uranium purification circuits are presented in tabular form together with the average major impurity levels associated with each. The more common unit operations in these circuits, namely strong- and weak-base ion-exchange, solvent extraction and the precipitation of impurities are then discussed individually. Particular attention is paid to the effect and removal of impurities in each of these four unit operations. (author)

  7. Coulomb singularity effects in tunnelling spectroscopy of individual impurities

    OpenAIRE

    Arseyev, P. I.; Maslova, N. S.; Panov, V. I.; Savinov, S. V.

    2002-01-01

    Non-equilibrium Coulomb effects in resonant tunnelling processes through deep impurity states are analyzed. It is shown that Coulomb vertex corrections to the tunnelling transfer amplitude lead to a power-law singularity in current- voltage characteristics

  8. Carbon deposition and hydrogen retention in tokamak

    International Nuclear Information System (INIS)

    Tanabe, Tetsuo

    2006-01-01

    The results of measurements on co-deposition of hydrogen isotopes and wall materials, hydrogen retention, redeposition of carbon and deposition of hydrogen on PMI of JT-60U are described. From above results, selection of plasma facing material and ability of carbon wall is discussed. Selection of plasma facing materials in fusion reactor, characteristics of carbon materials as the plasma facing materials, erosion, transport and deposition of carbon impurity, deposition of tritium in JET, results of PMI in JT-60, application of carbon materials to PFM of ITER, and future problems are stated. Tritium co-deposition in ITER, erosion and transport of carbon in tokamak, distribution of tritium deposition on graphite tile used as bumper limiter of TFTR, and measurement results of deposition of tritium on the Mark-IIA divertor tile and comparison between them are described. (S.Y.)

  9. Above threshold ionization of atomic hydrogen in ns states with up to four excess photons

    Energy Technology Data Exchange (ETDEWEB)

    Karule, E [Institute of Physics and Spectroscopy, University of Latvia, Raina blvd. 19, Riga, LV-1586 (Latvia); Gailitis, A, E-mail: karule@latnet.l [Institute of Physics, University of Latvia, Salaspils-1, LV-2169 (Latvia)

    2010-03-28

    In a high-intensity laser field an atom can absorb more photons than the minimum necessary for ionization. It is known as above threshold ionization (ATI). Theoretically it is the most difficult case to handle as we have to consider transitions in continuum. To study ATI we use the perturbation theory and Green's function formalism. We have derived the modified two-term Coulomb Green's function (CGF) Sturmian expansion. In each term explicit summation over all intermediate states is carried out. The transition amplitude may be obtained in a closed form. The generalized cross sections are evaluated for the photoionization of atomic hydrogen in ns states with up to four excess photons. Calculations are performed in a wide range of wavelengths for linear and circular polarization. In the cases for which data are available, our results agree very well with the previous ones.

  10. Ground state of a hydrogen ion molecule immersed in an inhomogeneous electron gas

    International Nuclear Information System (INIS)

    Diaz-Valdes, J.; Gutierrez, F.A.; Matamala, A.R.; Denton, C.D.; Vargas, P.; Valdes, J.E.

    2007-01-01

    In this work we have calculated the ground state energy of the hydrogen molecule, H 2 + , immersed in the highly inhomogeneous electron gas around a metallic surface within the local density approximation. The molecule is perturbed by the electron density of a crystalline surface of Au with the internuclear axis parallel to the surface. The surface spatial electron density is calculated through a linearized band structure method (LMTO-DFT). The ground state of the molecule-ion was calculated using the Born-Oppenheimer approximation for a fixed-ion while the screening effects of the inhomogeneous electron gas are depicted by a Thomas-Fermi like electrostatic potential. We found that within our model the molecular ion dissociates at the critical distance of 2.35a.u. from the first atomic layer of the solid

  11. Study of Mg-based materials to be used in a functional solid state hydrogen reservoir for vehicular applications

    Energy Technology Data Exchange (ETDEWEB)

    Maddalena, Amedeo; Petris, Milo; Palade, Petru; Sartori, Sabrina; Principi, Giovanni [Settore Materiali and CNISM, Dipartimento di Ingegneria Meccanica, Universita di Padova, via Marzolo 9, 35131 Padova (Italy); Settimo, Eliseo [Celco-Profil, via dell' Artigianato 4, 30030 Vigonovo (Venezia) (Italy); Molinas, Bernardo [Venezia Tecnologie, via delle Industrie 39, 30175 Marghera (Venezia) (Italy); Lo Russo, Sergio [Dipartimento di Fisica and CNISM, Universita di Padova, via Marzolo 8, 35131 Padova (Italy)

    2006-11-15

    Powders mixtures of nanosized MgH{sub 2} and suitable additives, obtained by high energy milling, have been studied as materials to be used in a functional solid state hydrogen reservoir. A prototype of a two stages reservoir is under development (patent pending). The hydrogen release from the main stage, with high capacity Mg-based hydrides, is primed by a primer stage containing commercial hydrides able to operate at room temperature. (author)

  12. Impurity sources in TEXTOR

    Energy Technology Data Exchange (ETDEWEB)

    Pospieszczyk, A; Bay, H L; Bogen, P; Hartwig, H; Hintz, E; Koenen, L; Ross, G G; Rusbueldt, D; Samm, U; Schweer, B

    1987-02-01

    The deuterium, oxygen and carbon fluxes from the main limiter and the deuterium fluxes from the wall are measured in TEXTOR for an 'all carbon' surrounding as a function of central density n/sub e/, of applied ICRH-power and of different wall conditions (carbonization). For this purpose, emission spectroscopy both with filter systems and spectrometers has been used. It is found that a major release mechanism for light impurities is via the formation of molecules. Oxygen seems to enter the discharge from the liner via O-D containing molecules, whereas the limiter acts as the main carbon source by the release of hydro-carbons as indicated by the observed CD-band spectra. Both oxygen and carbon fluxes are reduced by about a factor of two after a fresh carbonization. Above a certain critical density the plasma detaches from the limiter and forms a stable discharge with a radiation cooled boundary layer and with a major fraction of particles now reaching the wall instead of the limiter. The critical density rises with decreasing impurity fluxes or with increasing heating powers.

  13. Impurity sources in TEXTOR

    International Nuclear Information System (INIS)

    Pospieszczyk, A.; Bay, H.L.; Bogen, P.; Hartwig, H.; Hintz, E.; Koenen, L.; Ross, G.G.; Rusbueldt, D.; Samm, U.; Schweer, B.

    1987-01-01

    The deuterium, oxygen and carbon fluxes from the main limiter and the deuterium fluxes from the wall are measured in TEXTOR for an 'all carbon' surrounding as a function of central density n e , of applied ICRH-power and of different wall conditions (carbonization). For this purpose, emission spectroscopy both with filter systems and spectrometers has been used. It is found that a major release mechanism for light impurities is via the formation of molecules. Oxygen seems to enter the discharge from the liner via O-D containing molecules, whereas the limiter acts as the main carbon source by the release of hydro-carbons as indicated by the observed CD-band spectra. Both oxygen and carbon fluxes are reduced by about a factor of two after a fresh carbonization. Above a certain critical density the plasma detaches from the limiter and forms a stable discharge with a radiation cooled boundary layer and with a major fraction of particles now reaching the wall instead of the limiter. The critical density rises with decreasing impurity fluxes or with increasing heating powers. (orig.)

  14. Transport and re-deposition of limiter-released metal impurities

    International Nuclear Information System (INIS)

    Claasen, H.A.; Repp, H.

    1983-01-01

    The transport parallel B-vector and re-deposition of limiter- (or divertor-target-)released metal impurities in a given counter-streaming scrape-off layer plasma is studied analytically by using a kinetic approach. Electron impact ionization, Coulomb collisions with the hydrogen ions, and impurity ion acceleration in a pre-sheath electric field are accounted for. The friction and electric-field forces provide the driving forces for impurity re-cycling in front of the limiter. Both hydrogen ion sputtering and self-sputtering are included (the latter for impurity emission perpendicular to the limiter surface). The analytical formulas are numerically evaluated for the example of sputtered iron impurities, assuming a simple model for a scrape-off layer plasma in contact with a stainless-steel poloidal ring limiter. (author)

  15. Probing neutral density at the plasma edge of Tore Supra with CX excited impurity ions

    International Nuclear Information System (INIS)

    Hess, W.R.; Mattioli, M.; Guirlet, R.

    1993-01-01

    In Tokamak plasma physics renewed interest in visible spectroscopy has grown for two reasons. The use of fiber optics allows observation of local sources of both impurities and of hydrogen by observing radiation of low ionization states. Moreover, charge exchange spectroscopy (CXS) with either auxiliary or heating neutral beams is a standard technique to determine the ion temperature and impurity density profiles. After a short description of the experimental setup and the ergodic divertor of Tore Supra (TS), two discharges in which space-resolved observations of the CVI (8-7) line clearly show the presence of CX-related effects. A well isolated spectral line at 5304.6 A is discussed. Tentative identification as CIII (1s 2 2s, 7-5) is suggested. The conclusion shows the usefulness of the reported results for probing neutral density at the plasma edge by detecting CX excited impurity ions and that highly ionized C 6+ ions exist in the MARFE regions. To the best of our knowledge, only very low ionization C and O ions (such as CIII or OIV) have been previously reported in these regions

  16. The ground state hydrogen conformations and vibrational analysis of 2-, 3-, 4- and 5- dihydroxybenzaldehyde: A DFT study

    International Nuclear Information System (INIS)

    Cirak, C.; Saglam, A.; Ucun, F.

    2010-01-01

    The ground state hydrogen conformations of 2-, 3-, 4- and 5-dihydroxybenzaldehyde have been investigated using density functional theory (B3LYP) methods with 6-31G (d,p) basis set. The calculations have indicated that the compounds in the ground state exist with the carbonyl group O atom linked intra molecularly by the two hydrogen bonds of the two hydroxyl groups. The vibrational analyses of the ground state conformers of all the compounds were done and their optimized geometry parameters were given.

  17. Key study on the potential of hydrazine bisborane for solid- and liquid-state chemical hydrogen storage.

    Science.gov (United States)

    Pylypko, Sergii; Petit, Eddy; Yot, Pascal G; Salles, Fabrice; Cretin, Marc; Miele, Philippe; Demirci, Umit B

    2015-05-04

    Hydrazine bisborane N2H4(BH3)2 (HBB; 16.8 wt %) recently re-emerged as a potential hydrogen storage material. However, such potential is controversial: HBB was seen as a hazardous compound up to 2010, but now it would be suitable for hydrogen storage. In this context, we focused on fundamentals of HBB because they are missing in the literature and should help to shed light on its effective potential while taking into consideration any risk. Experimental/computational methods were used to get a complete characterization data sheet, including, e.g., XRD, NMR, FTIR, Raman, TGA, and DSC. From the reported results and discussion, it is concluded that HBB has potential in the field of chemical hydrogen storage given that both thermolytic and hydrolytic dehydrogenations were analyzed. In solid-state chemical hydrogen storage, it cannot be used in the pristine state (risk of explosion during dehydrogenation) but can be used for the synthesis of derivatives with improved dehydrogenation properties. In liquid-state chemical hydrogen storage, it can be studied for room-temperature dehydrogenation, but this requires the development of an active and selective metal-based catalyst. HBB is a thus a candidate for chemical hydrogen storage.

  18. Spectroscopic studies of carbon impurities in PISCES-A

    International Nuclear Information System (INIS)

    Ra, Y.; Hirooka, Y.; Leung, W.K.; Conn, R.W.; Pospieszczyk, A.

    1989-08-01

    The graphite used for the limiter of the tokamak reactor produces carbon-containing molecular impurities as a result of the interactions with the edge plasma. The behavior of these molecular impurities has been studied using emission spectroscopy. The present study includes: finding molecular bands and atomic lines in the visible spectral range which can be used for the study of the molecular impurities, studying the breakup processes of the molecular impurities on their way from the source into the plasma, developing a spectroscopic diagnostic method for the absolute measurement of the molecular impurity flux resulting from graphite erosion. For these studies, carbon-containing molecules such as CH 4 , C 2 H 2 , C 2 H 4 , and CO 2 were injected into the tokamak-boundary,like plasma generated by PISCES-A. The spectrograms of these gases were taken. Many useful bands and lines were determined from the spectrograms. The breakup processes of these gases were studied by observing the spatial profiles of the emission of the molecules and their radicals for different plasma conditions. For the absolute measurement of the eroded molecular impurity flux, the photon efficiency of the lines and bands were found by measuring the absolute number of the emitted photons and injected gas molecules. The chemical sputtering yield of graphite by hydrogen plasma was spectroscopically measured using the previously obtained photon efficiencies. It showed good agreement with results obtained by weight loss measurements. 16 refs., 7 figs., 1 tab

  19. Nanostructured materials for solid-state hydrogen storage: A review of the achievement of COST Action MP1103

    NARCIS (Netherlands)

    Callini, Elsa; Aguey-Zinsou, Kondo Francois; Ahuja, Rajeev; Ares, Jos Ramon; Bals, Sara; Biliskov, Nikola; Chakraborty, Sudip; Charalambopoulou, Georgia; Chaudhary, Anna Lisa; Cuevas, Fermin; Dam, Bernard; de Jongh, Petra; Dornheim, Martin; Filinchuk, Yaroslav; Novakovic, Jasmina G.; Hirscher, Michael; Hirscher, M.; Jensen, Torben R.; Jensen, Peter Bjerre; Novakovic, Nikola; Lai, Qiwen; Leardini, Fabrice; Gattia, Daniele Mirabile; Pasquini, Luca; Steriotis, Theodore; Turner, Stuart; Vegge, Tejs; Zuttel, Andreas; Montone, Amelia

    2016-01-01

    In the framework of the European Cooperation in Science and Technology (COST) Action MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized, characterized and modeled. This Action dealt with the state of the art of energy storage and set up a competitive and coordinated

  20. Nanostructured materials for solid-state hydrogen storage: A review of the achievement of COST Action MP1103

    DEFF Research Database (Denmark)

    Callini, Elsa; Aguey-Zinsou, Kondo-Francois; Ahuja, Rajeev

    2016-01-01

    In the framework of the European Cooperation in Science and Technology (COST) Action MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized, characterized and modeled. This Action dealt with the state of the art of energy storage and set up a competitive and coordinated...

  1. Influence of the impurity-defect and impurity-impurity interactions on the crystalline silicon solar cells conversion efficiency; Influence des interactions impurete-defaut et impurete-impurete sur le rendement de conversion des cellules photovoltaiques au silicium cristallin

    Energy Technology Data Exchange (ETDEWEB)

    Dubois, S

    2007-05-15

    This study aims at understanding the influence of the impurity - defect interaction on the silicon solar cell performances. We studied first the case of single-crystalline silicon. We combined numerical simulations and experimental data providing new knowledge concerning metal impurities in silicon, to quantify the evolution of the conversion efficiency with the impurity concentration. Mainly due to the gettering effects, iron appears to be quite well tolerated. It is not the case for gold, diffusing too slowly. Hydrogenation effects were limited. We transposed then this study toward multi-crystalline silicon. Iron seems rather well tolerated, due to the gettering effects but also due to the efficiency of the hydrogenation. When slow diffusers are present, multi crystalline silicon is sensitive to thermal degradation. n-type silicon could solve this problem, this material being less sensitive to metal impurities. (author)

  2. Search for isobar-analog states of superheavy hydrogen isotopes5-7He

    Science.gov (United States)

    Chernyshev, B. A.; Gurov, Yu B.; Korotkova, L. Yu; Kuznetsov, D. S.; Lapushkin, S. V.; Tel'kushev, M. V.; Schurenkova, T. D.

    2016-02-01

    Search for isobar-analog states (IAS) of superheavy hydrogen isotopes 5-7H was performed among the high-excited states of helium isotopes 5-7He. The excited spectra were measured in stopped pion absorption by light nuclei. The experiment was performed at low energy pion channel of LANL with two-arm multilayer semiconductor spectrometer. Excited states of 5-7He were observed in three-body reaction channels on 10,11B nuclei. Several excited levels were observed for the first time. 6He excited state with Ex = 27.0(8) MeV observed in 10B(π-,pt)X channel is an IAS candidate for 6H with Er ∼ 5.5 MeV. 7He excited state with Ex = 24.8(4) MeV observed in 10B(π-,pd)X, nB(π-,pt)X and nB(π-,dd)X channels is an IAS candidate for 7H with Er ∼ 3 MeV.

  3. Hydrogen production from wastes. State-of-the-art and development potential. Final report

    International Nuclear Information System (INIS)

    Megret, O.; Hubert, L.; Calbry, M.; Trably, E.; Carrere, H.; Garcia-Bernet, D.; Bernet, N.

    2015-09-01

    Within the framework of the search for a virtuous energy system, the energy production known as 'clean' presents major stakes as well environmental as economic and societal. Among the potentially usable energy vectors, the dihydrogen gas proves to be a serious alternative to fossil energies. The 'traditional' production processes rest on extraction of hydrocarbon fossil resources and are strongly disparaged for their environmental impacts and the dependences with international access to fossil resources. To date, in addition to hydrogen production by water electrolysis based on renewable resources, the promising sectors of hydrogen production are those of the bio-refinery applied to layers of rough biomass, waste organic, sludges, etc. They involve both thermochemical and biological conversion processes. The objective of this study is to carry out a detailed state of the art of these alternative processes allowing the conversion of biomass-type wastes and by-products, on the scale of France, Europe and World. The study thus makes it possible to identify, describe and characterize the thermal and biological processes. The operating conditions to increase hydrogen production as well as the limits of the systems are presented: temperature, pressure, pH, quality of the layers, undesirable, gear robustness, etc. A brief study of the potential layers is proposed, making it possible to outline the potential of hydrogen production; however identification of the layers known as 'of implementation' (corresponding to the layers really expected taking into account the technical and economic context and of the competition of other valorization sectors) was not performed. For the thermal processes, theoretical examples of integrated processes are presented and an economic estimate of the hydrogen resulting cost is introduced. Regarding biological processes, the study identifies and analyses projects (on a pilot-scale for the most succeeded) which

  4. Role of impurities in magnetically confined high temperature plasmas

    International Nuclear Information System (INIS)

    Barnett, C.F.

    1976-01-01

    A summary is given of the atomic physics concerned with plasma cooling by impurities and the limiting effect that impurities may have on heating of plasmas by neutral injection. A general description is given of the tokamak concept and the present and next generation experiments are described. The time and spatial behavior of O and Mo multicharged ions in present hydrogen plasmas is presented. This is followed by a discussion of the power loss from a plasma containing one percent Fe. Finally, the limitation of plasma heating by energetic H or D injection is summarized

  5. Observation of Momentum-Confined In-Gap Impurity State in Ba_{0.6}K_{0.4}Fe_{2}As_{2}: Evidence for Antiphase s_{±} Pairing

    Directory of Open Access Journals (Sweden)

    P. Zhang

    2014-07-01

    Full Text Available We report the observation by angle-resolved photoemission spectroscopy of an impurity state located inside the superconducting gap of Ba_{0.6}K_{0.4}Fe_{2}As_{2} and vanishing above the superconducting critical temperature, for which the spectral weight is confined in momentum space near the Fermi wave-vector positions. We demonstrate, supported by theoretical simulations, that this in-gap state originates from weak scattering between bands with opposite sign of the superconducting-gap phase. This weak scattering, likely due to off-plane nonmagnetic (Ba, K disorder, occurs mostly among neighboring Fermi surfaces, suggesting that the superconducting-gap phase changes sign within holelike (and electronlike bands. Our results impose severe restrictions on the models promoted to explain high-temperature superconductivity in these materials.

  6. Molecular dynamics study of grain boundary diffusion of hydrogen in tungsten

    International Nuclear Information System (INIS)

    Von Toussaint, U; Gori, S; Manhard, A; Höschen, T; Höschen, C

    2011-01-01

    Understanding the influence of the microstructure of tungsten on hydrogen transport is crucial for the use of tungsten as first-wall material in fusion reactors. Here, we report the results of molecular dynamics and transition state studies on the influence of grain boundaries in tungsten on the transport of hydrogen. An exhaustive mapping of possible minimum activation energy migration trajectories for hydrogen as the trace impurity reveals a strongly modified activation energy distribution in the neighborhood of grain boundaries together with an altered connectivity matrix. The results indicate that grain boundaries in polycrystalline tungsten may provide an important transport channel, especially for neutron-damaged tungsten.

  7. The Role of Backbone Hydrogen Bonds in the Transition State for Protein Folding of a PDZ Domain.

    Directory of Open Access Journals (Sweden)

    Søren W. Pedersen

    Full Text Available Backbone hydrogen bonds are important for the structure and stability of proteins. However, since conventional site-directed mutagenesis cannot be applied to perturb the backbone, the contribution of these hydrogen bonds in protein folding and stability has been assessed only for a very limited set of small proteins. We have here investigated effects of five amide-to-ester mutations in the backbone of a PDZ domain, a 90-residue globular protein domain, to probe the influence of hydrogen bonds in a β-sheet for folding and stability. The amide-to-ester mutation removes NH-mediated hydrogen bonds and destabilizes hydrogen bonds formed by the carbonyl oxygen. The overall stability of the PDZ domain generally decreased for all amide-to-ester mutants due to an increase in the unfolding rate constant. For this particular region of the PDZ domain, it is therefore clear that native hydrogen bonds are formed after crossing of the rate-limiting barrier for folding. Moreover, three of the five amide-to-ester mutants displayed an increase in the folding rate constant suggesting that the hydrogen bonds are involved in non-native interactions in the transition state for folding.

  8. Neo-classical impurity transport

    International Nuclear Information System (INIS)

    Stringer, T.E.

    The neo-classical theory for impurity transport in a toroidal plasma is outlined, and the results discussed. A general account is given of the impurity behaviour and its dependence on collisionality. The underlying physics is described with special attention to the role of the poloidal rotation

  9. Impurity study experiment proposal

    International Nuclear Information System (INIS)

    1975-05-01

    ISX is a modest tokamak which emphasizes the production of a predictable test plasma, experimental flexibility, ease of assembly and disassembly, and good diagnostic access. Its plasma models the outer cooler layers in EPR like plasmas. In addition, provisions will be made for long discharge times which may be necessary to observe some impurity effects. These machine characteristics will enable one to study the collisional transport of impurities in the plasma, perform systematic studies of wall and limiter materials and geometries, study methods of cleaning the walls, and develop and test new diagnostic techniques. ISX will employ water-cooled copper coils to produce a maximum toroidal magnetic field of 20 kG at the plasma axis, which is 77 cm from the major axis. The plasma minor radius will be about 15 cm, and the maximum plasma current will be 100 kA which will be induced by an iron core transformer with a capability of up to 0.9 volt-sec for long discharges. An aspect ratio of five and the modest magnetic field permit a design with ample space for thick wall structures such as honeycomb walls. The ''picture frame'' toroidal field coil provides additional space, while removable coil top sections allow easy replacement of the vacuum chamber. The 72-turn toroidal field coil is grouped into 24 sections for increased access. Absence of a conducting shell and placement of the vertical field and transformer primary coils away from the plasma allow easy viewing of the plasma and good diagnostic access. (U.S.)

  10. Structural Characterization of AgGaS2-type Photocatalysts for Hydrogen Production from Water Under Visible Light

    International Nuclear Information System (INIS)

    Choi, Sun Hee; Shin, Namsoo; Jang, Jum Suk; Lee, Jae Sung

    2007-01-01

    Bulky AgGaS2 was synthesized as a p-type semiconductor photocatalyst by a conventional solid state reaction under N2 flow for hydrogen production under visible light. To remove the impurity phase involved in the synthesized material and improve its crystallinity, the material was treated at various temperatures of 873-1123 K under H2S flow. Impurity phases were identified as β-Ga2O3 and Ag9GaS6 with Rietveld analysis of XRD, and the local coordination structure around gallium atom in AgGaS2 was investigated by EXAFS. As the H2S-treatment temperature increased, the contribution from impurity phase was diminished. When the temperature reached 1123 K, the impurity phases were completely removed and the material showed the highest photocatalytic activity

  11. Quantum double-well chain: Ground-state phases and applications to hydrogen-bonded materials

    International Nuclear Information System (INIS)

    Wang, X.; Campbell, D.K.; Gubernatis, J.E.

    1994-01-01

    Extrapolating the results of hybrid quantum Monte Carlo simulations to the zero temperature and infinite-chain-length limits, we calculate the ground-state phase diagram of a system of quantum particles on a chain of harmonically coupled, symmetric, quartic double-well potentials. We show that the ground state of this quantum chain depends on two parameters, formed from the ratios of the three natural energy scales in the problem. As a function of these two parameters, the quantum ground state can exhibit either broken symmetry, in which the expectation values of the particle's coordinate are all nonzero (as would be the case for a classical chain), or restored symmetry, in which the expectation values of the particle's coordinate are all zero (as would be the case for a single quantum particle). In addition to the phase diagram as a function of these two parameters, we calculate the ground-state energy, an order parameter related to the average position of the particle, and the susceptibility associated with this order parameter. Further, we present an approximate analytic estimate of the phase diagram and discuss possible physical applications of our results, emphasizing the behavior of hydrogen halides under pressure

  12. The optimisation of limiter geometry to reduce impurity influx in tokamaks

    International Nuclear Information System (INIS)

    Matthews, G.F.; McCracken, G.M.; Sewell, P.; Goodall, D.H.J.; Stangeby, P.C.; Pitcher, C.S.

    1987-01-01

    Conventional limiters are designed to withstand large power loadings and hence are constructed with surfaces at grazing angles to the toroidal magnetic field. As a result any impurities released from the limiter surface are projected towards the centre of the plasma and are poorly screened from it. The impurity control limiter (ICL), an alternative concept which has an inverted geometry is discussed. The ICL shape is designed to direct the impurities towards the wall. Results are presented from a two-dimensional neutral particle code which maps the ionisation of carbon physically sputtered by deuterons from a carbon limiter. This ionisation source is coupled to a one-dimensional impurity transport code which calculates the implied central impurity density. The results demonstrate that the ICL achieves impurity control in two ways. Firstly, many of the sputtered impurities directed towards the wall are not ionised and return to the wall as neutrals. Secondly, much of the ionisation which does occur is located in the scrape-off layer. Here there is a strong ion sink which may also be enhanced by the flow of hydrogenic ions entraining impurity ions created close to the limiter surface. We conclude that a reduction in central impurity density of a factor of 10 is possible in a Tokamak such as DITE provided that the limiter is the main source of impurities. (author)

  13. Recent trends in the impurity profile of pharmaceuticals

    Directory of Open Access Journals (Sweden)

    Kavita Pilaniya

    2010-01-01

    Full Text Available Various regulatory authorities such as the International Conference on Harmonization (ICH, the United States Food and Drug administration (FDA, and the Canadian Drug and Health Agency (CDHA are emphasizing on the purity requirements and the identification of impurities in Active Pharmaceutical Ingredients (APIs. The various sources of impurity in pharmaceutical products are - reagents, heavy metals, ligands, catalysts, other materials like filter aids, charcoal, and the like, degraded end products obtained during \\ after manufacturing of bulk drugs from hydrolysis, photolytic cleavage, oxidative degradation, decarboxylation, enantiomeric impurity, and so on. The different pharmacopoeias such as the British Pharmacopoeia, United State Pharmacopoeia, and Indian Pharmacopoeia are slowly incorporating limits to allowable levels of impurities present in APIs or formulations. Various methods are used to isolate and characterize impurities in pharmaceuticals, such as, capillary electrophoresis, electron paramagnetic resonance, gas-liquid chromatography, gravimetric analysis, high performance liquid chromatography, solid-phase extraction methods, liquid-liquid extraction method, Ultraviolet Spectrometry, infrared spectroscopy, supercritical fluid extraction column chromatography, mass spectrometry, Nuclear magnetic resonance (NMR spectroscopy, and RAMAN spectroscopy. Among all hyphenated techniques, the most exploited techniques for impurity profiling of drugs are Liquid Chromatography (LC-Mass Spectroscopy (MS, LC-NMR, LC-NMR-MS, GC-MS, and LC-MS. This reveals the need and scope of impurity profiling of drugs in pharmaceutical research.

  14. Kinetic neoclassical calculations of impurity radiation profiles

    Directory of Open Access Journals (Sweden)

    D.P. Stotler

    2017-08-01

    Full Text Available Modifications of the drift-kinetic transport code XGC0 to include the transport, ionization, and recombination of individual charge states, as well as the associated radiation, are described. The code is first applied to a simulation of an NSTX H-mode discharge with carbon impurity to demonstrate the approach to coronal equilibrium. The effects of neoclassical phenomena on the radiated power profile are examined sequentially through the activation of individual physics modules in the code. Orbit squeezing and the neoclassical inward pinch result in increased radiation for temperatures above a few hundred eV and changes to the ratios of charge state emissions at a given electron temperature. Analogous simulations with a neon impurity yield qualitatively similar results.

  15. NATO International Symposium on the Electronic Structure and Properties of Hydrogen in Metals

    CERN Document Server

    Satterthwaite, C

    1983-01-01

    Hydrogen is the smallest impurity atom that can be implanted in a metallic host. Its small mass and strong interaction with the host electrons and nuclei are responsible for many anomalous and interesting solid state effects. In addition, hydrogen in metals gives rise to a number of technological problems such as hydrogen embrittlement, hydrogen storage, radiation hardening, first wall problems associated with nuclear fusion reactors, and degradation of the fuel cladding in fission reactors. Both the fundamental effects and applied problems have stimulated a great deal of inter­ est in the study of metal hydrogen systems in recent years. This is evident from a growing list of publications as well as several international conferences held in this field during the past decade. It is clear that a fundamental understanding of these problems re­ quires a firm knowledge of the basic interactions between hydrogen, host metal atoms, intrinsic lattice defects and electrons. This understanding is made particularly di...

  16. Conjugation of cytochrome c with hydrogen titanate nanotubes: novel conformational state with implications for apoptosis

    Energy Technology Data Exchange (ETDEWEB)

    Ray, Moumita; Mazumdar, Shyamalava [Department of Chemical Sciences, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400005 (India); Chatterjee, Sriparna; Das, Tanmay; Bhattacharyya, Somnath; Ayyub, Pushan, E-mail: somnath@tifr.res.in, E-mail: pushan@tifr.res.in, E-mail: shyamal@tifr.res.in [Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400005 (India)

    2011-10-14

    We show that hydrogen titanate (H{sub 2}Ti{sub 3}O{sub 7}) nanotubes form strongly associated reversible nano-bio-conjugates with the vital respiratory protein, cytochrome c. Resonance Raman spectroscopy along with direct electrochemical studies indicate that in this nano-bio-conjugate, cytochrome c exists in an equilibrium of two conformational states with distinctly different formal redox potentials and coordination geometries of the heme center. The nanotube-conjugated cytochrome c also showed enhanced peroxidase activity similar to the membrane-bound protein that is believed to be an apoptosis initiator. This suggests that such a nanotube-cytochrome c conjugate may be a good candidate for cancer therapy applications.

  17. Positron impact excitation (n = 2 states) of hydrogen at 20 eV

    Energy Technology Data Exchange (ETDEWEB)

    Kamali, M. Z. M.; Ratnavelu, K. [University of Malaya, Kuala Lumpur (Malaysia)

    2011-10-15

    The calculation of accurate differential cross sections (DCS) has always posed a litmus test for theoretical models. Among the positron-atom scattering systems, the positron-hydrogen (e{sup +}-H) atom system is the fundamental prototype. Thus, the present work utilizes 12- and 15-states coupled channel optical method (CCOM) calculations to study the DCS H(2s+2p) excitation, together with the angular correlation parameters ({lambda}(2p)), for the e{sup +}-H system at 20 eV, but up to now, there have been no measurements yet on the DCS for this system. A comparison is done with other theoretical and experimental works, including the electron case.

  18. State density of valence-band tail and photoconductivity amorphous hydrogenated silicon

    International Nuclear Information System (INIS)

    Golikova, O.A.; Domashevskaya, Eh.P.; Mezdrogina, M.M.; Sorokina, K.L.; Terekhov, V.A.; Trostyanskij, S.N.

    1991-01-01

    Relation between photoconductivity and g(ε) mobility gap within the range adjoining to the top (mobility end) of valent zone (VZ tail) in a-Si:H film is studied. Stationary photoconductivity within spectral maximum range (χ=0.63μm) at Φ=10 17 photxcm -2 s -1 flow is measured. Density of g(ε) states are controlled using ultrasoft X-ray emission spectroscopy. It is shown, that correlation between photoconductivity and width of VZ tail may reflect the fact of their similar dependence o film heterogeneity: at the increase of share of microholes there occur both expansion of VZ tail and growth of number of respective hydrogen complexes and torn relations which results in drop of photoconductivity

  19. Modeling evolution of hydrogen bonding and stabilization of transition states in the process of cocaine hydrolysis catalyzed by human butyrylcholinesterase.

    Science.gov (United States)

    Gao, Daquan; Zhan, Chang-Guo

    2006-01-01

    Molecular dynamics (MD) simulations and quantum mechanical/molecular mechanical (QM/MM) calculations were performed on the prereactive enzyme-substrate complex, transition states, intermediates, and product involved in the process of human butyrylcholinesterase (BChE)-catalyzed hydrolysis of (-)-cocaine. The computational results consistently reveal a unique role of the oxyanion hole (consisting of G116, G117, and A199) in BChE-catalyzed hydrolysis of cocaine, compared to acetylcholinesterase (AChE)-catalyzed hydrolysis of acetylcholine. During BChE-catalyzed hydrolysis of cocaine, only G117 has a hydrogen bond with the carbonyl oxygen (O31) of the cocaine benzoyl ester in the prereactive BChE-cocaine complex, and the NH groups of G117 and A199 are hydrogen-bonded with O31 of cocaine in all of the transition states and intermediates. Surprisingly, the NH hydrogen of G116 forms an unexpected hydrogen bond with the carboxyl group of E197 side chain and, therefore, is not available to form a hydrogen bond with O31 of cocaine in the acylation. The NH hydrogen of G116 is only partially available to form a weak hydrogen bond with O31 of cocaine in some structures involved in the deacylation. The change of the estimated hydrogen-bonding energy between the oxyanion hole and O31 of cocaine during the reaction process demonstrates how the protein environment can affect the energy barrier for each step of the BChE-catalyzed hydrolysis of cocaine. These insights concerning the effects of the oxyanion hole on the energy barriers provide valuable clues on how to rationally design BChE mutants with a higher catalytic activity for the hydrolysis of (-)-cocaine. 2005 Wiley-Liss, Inc.

  20. The development of a solid-state hydrogen sensor for rocket engine leakage detection

    Science.gov (United States)

    Liu, Chung-Chiun

    1994-01-01

    Hydrogen propellant leakage poses significant operational problems in the rocket propulsion industry as well as for space exploratory applications. Vigorous efforts have been devoted to minimizing hydrogen leakage in assembly, test, and launch operations related to hydrogen propellant. The objective has been to reduce the operational cost of assembling and maintaining hydrogen delivery systems. Specifically, efforts have been made to develop a hydrogen leak detection system for point-contact measurement. Under the auspices of Lewis Research Center, the Electronics Design Center at Case Western Reserve University, Cleveland, Ohio, has undertaken the development of a point-contact hydrogen gas sensor with potential applications to the hydrogen propellant industry. We envision a sensor array consisting of numbers of discrete hydrogen sensors that can be located in potential leak sites. Silicon-based microfabrication and micromachining techniques are used in the fabrication of these sensor prototypes. Evaluations of the sensor are carried out in-house at Case Western Reserve University as well as at Lewis Research Center and GenCorp Aerojet, Sacramento, California. The hydrogen gas sensor is not only applicable in a hydrogen propulsion system, but also usable in many other civilian and industrial settings. This includes vehicles or facility use, or in the production of hydrogen gas. Dual space and commercial uses of these point-contacted hydrogen sensors are feasible and will directly meet the needs and objectives of NASA as well as various industrial segments.

  1. The development of a solid-state hydrogen sensor for rocket engine leakage detection

    Science.gov (United States)

    Liu, Chung-Chiun

    Hydrogen propellant leakage poses significant operational problems in the rocket propulsion industry as well as for space exploratory applications. Vigorous efforts have been devoted to minimizing hydrogen leakage in assembly, test, and launch operations related to hydrogen propellant. The objective has been to reduce the operational cost of assembling and maintaining hydrogen delivery systems. Specifically, efforts have been made to develop a hydrogen leak detection system for point-contact measurement. Under the auspices of Lewis Research Center, the Electronics Design Center at Case Western Reserve University, Cleveland, Ohio, has undertaken the development of a point-contact hydrogen gas sensor with potential applications to the hydrogen propellant industry. We envision a sensor array consisting of numbers of discrete hydrogen sensors that can be located in potential leak sites. Silicon-based microfabrication and micromachining techniques are used in the fabrication of these sensor prototypes. Evaluations of the sensor are carried out in-house at Case Western Reserve University as well as at Lewis Research Center and GenCorp Aerojet, Sacramento, California. The hydrogen gas sensor is not only applicable in a hydrogen propulsion system, but also usable in many other civilian and industrial settings. This includes vehicles or facility use, or in the production of hydrogen gas. Dual space and commercial uses of these point-contacted hydrogen sensors are feasible and will directly meet the needs and objectives of NASA as well as various industrial segments.

  2. Nonlinearity and disorder: Classification and stability of nonlinear impurity modes

    DEFF Research Database (Denmark)

    Sukhorukov, Andrey A.; Kivshar, Yuri S.; Bang, Ole

    2001-01-01

    We study the effects produced by competition of two physical mechanisms of energy localization in inhomogeneous nonlinear systems. As an example, we analyze spatially localized modes supported by a nonlinear impurity in the generalized nonlinear Schrödinger equation and describe three types of no...... the case of a power-law nonlinearity in detail. We discuss several scenarios of the instability-induced dynamics of the nonlinear impurity modes, including the mode decay or switching to a new stable state, and collapse at the impurity site....

  3. [Solid state isotope hydrogen exchange for deuterium and tritium in human gene-engineered insulin].

    Science.gov (United States)

    Zolotarev, Yu A; Dadayan, A K; Kozik, V S; Gasanov, E V; Nazimov, I V; Ziganshin, R Kh; Vaskovsky, B V; Murashov, A N; Ksenofontov, A L; Haribin, O N; Nikolaev, E N; Myasoedov, N F

    2014-01-01

    The reaction of high temperature solid state catalytic isotope exchange in peptides and proteins under the action of catalyst-activated spillover hydrogen was studied. The reaction of human gene-engineered insulin with deuterium and tritium was conducted at 120-140° C to produce insulin samples containing 2-6 hydrogen isotope atoms. To determine the distribution of the isotope label over tritium-labeled insulin's amino acid residues, oxidation of the S-S bonds of insulin by performic acid was performed and polypeptide chains isolated; then their acid hydrolysis, amino acid analysis and liquid scintillation counts of tritium in the amino acids were conducted. The isotope label was shown to be incorporated in all amino acids of the protein, with the peptide fragment FVNQHLCGSHLVE of the insulin β-chain showing the largest incorporation. About 45% of the total protein isotope label was incorporated in His5 and His10 of this fragment. For the analysis of isotope label distribution in labeled insulin's peptide fragments, the recovery of the S-S bonds by mercaptoethanol, the enzymatic hydrolysis by glutamyl endopeptidase from Bacillus intermedius and HPLC division of the resulting peptides were carried out. Attribution of the peptide fragments formed due to hydrolysis at the Glu-X bond in the β-chain was accomplished by mass spectrometry. Mass spectrometry analysis data of the deuterium-labeled insulin samples' isotopomeric composition showed that the studied solid state isotope exchange reaction equally involved all the protein molecules. Biological studying of tritium-labeled insulin showed its physiological activity to be completely retained.

  4. Precision spectroscopy on hydrogen and deuterium. Test of the bound-state quantum electrodynamics

    International Nuclear Information System (INIS)

    Fendel, P.

    2005-06-01

    An optical measurement of the hyperfine splitting of the 2s state in deuterium performed for the first time and the description of the arrangement for the measurement of the 1s-3s frequency in hydrogen by excitation with a frequency combexpect the reader of this thesis. Both experiments have the goal to test the bound-state quantum electrodynamics (QED) with high precision. The measurement of the hyperfine splitting serves thereby for the improvement of the accuracy of the so called D 21 =8E HFS (2s)-E HFS (1s) difference. Because D 21 is far-reachingly independent on the nuclear structure in spite of not accurately known proton charge radii QED can be tested on a level of 10 -7 . In the framework of the thesis present here the error of this quantity was reduced by a factor of three. The result for the 2s hyperfine splitting is: f D HFS =40924454(7) Hz. By a new kind of the data acquisition furthermore many systematic errors, especially the nonlinear drift of the reference resonator, could be reduced in comparison to a similar measurement on hydrogen. The second part of the thesis describes the efforts which were and will be taken in order to test QED by means of their perdiction of the 1s Lamb shift. For this the frequency of the 1s-3s transition in hydrogen shall be measured absolutely for the first time. A further novum is that for this a frequency-quadrupled mode-coupled laser shall be come into operation. Especially the construction and the stabilization of a ps laser, the construction of two frequency-doubling stages, the arrangement for the measurement of the absolute frequency of the spectroscopy laser, the alteration of the existing 1s-2s vacuum system, and the development of the measurement software is described. Additionally in this thesis the theory of the two-photon frequency-comb spectroscopy is further developed. Concrete expressions for the expected line shape and the influence of the chirp on the excitation rate are presented

  5. Triplet excited electronic state switching induced by hydrogen bonding: A transient absorption spectroscopy and time-dependent DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Ravi Kumar, Venkatraman; Ariese, Freek; Umapathy, Siva, E-mail: umapathy@ipc.iisc.ernet.in [Inorganic and Physical Chemistry Department, Indian Institute of Science, Bangalore 560012 (India)

    2016-03-21

    The solvent plays a decisive role in the photochemistry and photophysics of aromatic ketones. Xanthone (XT) is one such aromatic ketone and its triplet-triplet (T-T) absorption spectra show intriguing solvatochromic behavior. Also, the reactivity of XT towards H-atom abstraction shows an unprecedented decrease in protic solvents relative to aprotic solvents. Therefore, a comprehensive solvatochromic analysis of the triplet-triplet absorption spectra of XT was carried out in conjunction with time dependent density functional theory using the ad hoc explicit solvent model approach. A detailed solvatochromic analysis of the T-T absorption bands of XT suggests that the hydrogen bonding interactions are different in the corresponding triplet excited states. Furthermore, the contributions of non-specific and hydrogen bonding interactions towards differential solvation of the triplet states in protic solvents were found to be of equal magnitude. The frontier molecular orbital and electron density difference analysis of the T{sub 1} and T{sub 2} states of XT indicates that the charge redistribution in these states leads to intermolecular hydrogen bond strengthening and weakening, respectively, relative to the S{sub 0} state. This is further supported by the vertical excitation energy calculations of the XT-methanol supra-molecular complex. The intermolecular hydrogen bonding potential energy curves obtained for this complex in the S{sub 0}, T{sub 1}, and T{sub 2} states support the model. In summary, we propose that the different hydrogen bonding mechanisms exhibited by the two lowest triplet excited states of XT result in a decreasing role of the nπ{sup ∗} triplet state, and are thus responsible for its reduced reactivity towards H-atom abstraction in protic solvents.

  6. Spectrographic determination of impurities in ammonium hydrogen fluoride samples. II. Study of the behaviour of the added matrices; Determinacion espectrografica de impurezas en bibluoruro amonico. II. Estudio del comportamiento de las matrices adicionadas

    Energy Technology Data Exchange (ETDEWEB)

    Alduan, F. A.; Roca, M.; Capdevila, C.

    1979-07-01

    In order to account for the variations In the shape of the excitation-volatilization' curves and the values of the line intensities of the different impurities determined in ammonium bifluoride, the behaviour of the added matrices (graphite, 63203, GeO{sub 2}, MgO and ZnO) has been considered. With this aim the influence of the added matrices on the are discharge parameters (temperature and electronic concentration) and on the exhaustion rate of the electrode load as a function of the excitation time has been studied. On the other hand, the curve of variation of the line intensity of the metallic component of each matrix versus time has been obtained and the residues in the electrode cavity have been investigated by X-ray powder diffraction. (Author) 7 refs.

  7. Spectrographic determination of impurities in ammonium hydrogen fluoride samples. II. Study of the behaviour of the added matrices; Determinacion espectrografica de impurezas en bibluoruro amonico. II. Estudio del comportamiento de las matrices adicionadas

    Energy Technology Data Exchange (ETDEWEB)

    Alduan, F A; Roca, M; Capdevila, C

    1979-07-01

    In order to account for the variations In the shape of the excitation-volatilization' curves and the values of the line intensities of the different impurities determined in ammonium bifluoride, the behaviour of the added matrices (graphite, 63203, GeO{sub 2}, MgO and ZnO) has been considered. With this aim the influence of the added matrices on the are discharge parameters (temperature and electronic concentration) and on the exhaustion rate of the electrode load as a function of the excitation time has been studied. On the other hand, the curve of variation of the line intensity of the metallic component of each matrix versus time has been obtained and the residues in the electrode cavity have been investigated by X-ray powder diffraction. (Author) 7 refs.

  8. Discovery of iron group impurity ion spin states in single crystal Y{sub 2}SiO{sub 5} with strong coupling to whispering gallery photons

    Energy Technology Data Exchange (ETDEWEB)

    Goryachev, Maxim; Farr, Warrick G.; Carmo Carvalho, Natalia do; Creedon, Daniel L.; Le Floch, Jean-Michel [ARC Centre of Excellence for Engineered Quantum Systems, University of Western Australia, 35 Stirling Highway, Crawley WA 6009 (Australia); Probst, Sebastian [Physikalisches Institut, Karlsruhe Institute of Technology, D-76128 Karlsruhe (Germany); Bushev, Pavel [Experimentalphysik, Universität des Saarlandes, D-66123 Saarbrücken (Germany); Tobar, Michael E., E-mail: michael.tobar@uwa.edu.au [ARC Centre of Excellence for Engineered Quantum Systems, School of Physics, University of Western Australia, Crawley 6009 (Australia)

    2015-06-08

    Interaction of Whispering Gallery Modes (WGMs) with dilute spin ensembles in solids is an interesting paradigm of Hybrid Quantum Systems potentially beneficial for Quantum Signal Processing applications. Unexpected ion transitions are measured in single crystal Y{sub 2}SiO{sub 5} using WGM spectroscopy with large Zero Field Splittings at 14.7 GHz, 18.4 GHz, and 25.4 GHz, which also feature considerable anisotropy of the g-tensors as well as two inequivalent lattice sites, indicating spins from Iron Group Ion (IGI) impurities. The comparison of undoped and Rare-Earth doped crystals reveal that the IGIs are introduced during co-doping of Eu{sup 3+} or Er{sup 3+} with concentration at much lower levels of order 100 ppb. The strong coupling regime between an ensemble of IGI spins and WGM photons have been demonstrated at 18.4 GHz and near zero field. This approach together with useful optical properties of these ions opens avenues for “spins-in-solids” Quantum Electrodynamics.

  9. Striped morphologies induced by magnetic impurities in d-wave superconductors

    International Nuclear Information System (INIS)

    Zuo Xianjun

    2011-01-01

    Research Highlights: → We investigate striped morphologies induced by magnetic impurities in d-wave superconductors (DSCs). → For the single-impurity and two-impurity cases, modulated checkerboard pattern and stripe-like structures are induced. → When more magnetic impurities are inserted, more complex modulated structures could be induced, including rectilinear and right-angled stripes and quantum-corral-like structures. → Impurities could induce complex striped morphologies in DSCs. - Abstract: We study striped morphologies induced by magnetic impurities in d-wave superconductors (DSCs) near optimal doping by self-consistently solving the Bogoliubov-de Gennes equations based on the t - t' - U - V model. For the single-impurity case, it is found that the stable ground state is a modulated checkerboard pattern. For the two-impurity case, the stripe-like structures in order parameters are induced due to the impurity-pinning effect. The modulations of DSC and charge orders share the same period of four lattice constants (4a), which is half the period of modulations in the coexisting spin order. Interestingly, when three or more impurities are inserted, the impurities could induce more complex striped morphologies due to quantum interference. Further experiments of magnetic impurity substitution in DSCs are expected to check these results.

  10. Recent Progress and New Perspectives on Metal Amide and Imide Systems for Solid-State Hydrogen Storage

    Directory of Open Access Journals (Sweden)

    Sebastiano Garroni

    2018-04-01

    Full Text Available Hydrogen storage in the solid state represents one of the most attractive and challenging ways to supply hydrogen to a proton exchange membrane (PEM fuel cell. Although in the last 15 years a large variety of material systems have been identified as possible candidates for storing hydrogen, further efforts have to be made in the development of systems which meet the strict targets of the Fuel Cells and Hydrogen Joint Undertaking (FCH JU and U.S. Department of Energy (DOE. Recent projections indicate that a system possessing: (i an ideal enthalpy in the range of 20–50 kJ/mol H2, to use the heat produced by PEM fuel cell for providing the energy necessary for desorption; (ii a gravimetric hydrogen density of 5 wt. % H2 and (iii fast sorption kinetics below 110 °C is strongly recommended. Among the known hydrogen storage materials, amide and imide-based mixtures represent the most promising class of compounds for on-board applications; however, some barriers still have to be overcome before considering this class of material mature for real applications. In this review, the most relevant progresses made in the recent years as well as the kinetic and thermodynamic properties, experimentally measured for the most promising systems, are reported and properly discussed.

  11. Sensitivity of graphene flakes and nanorings to impurities

    Energy Technology Data Exchange (ETDEWEB)

    Konobeeva, N.N., E-mail: yana_nn@volsu.ru [Volgograd State University, University Avenue 100, Volgograd 400062 (Russian Federation); Belonenko, M.B. [Volgograd State University, University Avenue 100, Volgograd 400062 (Russian Federation); Volgograd Institute of Business, Uzhno-Ukrainskaya Str., Volgograd 400048 (Russian Federation)

    2017-06-01

    In this paper, we consider the influence of impurity on the graphene flakes and nanorings conductance. Based on the jumping Hamiltonian for graphene electrons with its direct diagonalization, we obtain the density of states. Further, the tunneling current is calculated for the following contacts: graphene flake-metal, graphene flake-quantum dots, graphene nanoring-quantum dots. We analyze the effect of the flake dimensions and the positions of the adsorbed molecule of impurity on the characteristic properties of the tunneling current.

  12. Impurity effect in the quantum Nernst effect

    International Nuclear Information System (INIS)

    Shirasaki, Ryoen; Nakamura, Hiroaki; Hatano, Naomichi

    2005-11-01

    We theoretically study the Nernst effect and the Seebeck effect in a two-dimensional electron ga in a strong magnetic field and a temperature gradient under adiabatic condition. We recently predicted for a pure system in the quantum Hall regime that the Nernst coefficients strongly suppressed and the thermal conductance is quantized due to quantum ballistic transport. Taking account of impurities, we here compute the Nernst coefficient and the Seebeck coefficient when the chemical potential coincides with a Landau level. We adopt the self-consistent Born approximation and consider the linear transport equations of the thermal electric transport induced by the temperature gradient. The thermal conductance and the Nernst coefficient are slightly modified from the pure case and the Seebeck coefficient newly appears because of the impurity scattering of electrons in the bulk states. (author)

  13. Differential cross sections for transfer into the 2S state of hydrogen: H+ + H2, H+ + D2

    International Nuclear Information System (INIS)

    Williams, D.G.; Lee, A.R.; Butcher, E.C.

    1986-01-01

    Differential cross sections for electron capture into the 2S state of hydrogen are presented for the reactions H + + H 2 and H + + D 2 . The results are for laboratory collision energies between 3.3 and 24 keV and scattering angles between 30 and 90'. The measurements expand on the results previously presented. (author)

  14. Non-typical fluorescence studies of excited and ground state proton and hydrogen transfer

    KAUST Repository

    Gil, Michał; Kijak, Michał; Piwonski, Hubert Marek; Herbich, Jerzy; Waluk, Jacek

    2017-01-01

    Fluorescence studies of tautomerization have been carried out for various systems that exhibit single and double proton or hydrogen translocation in various environments, such as liquid and solid condensed phases, ultracold supersonic jets, and finally, polymer matrices with single emitters.We focus on less explored areas of application of fluorescence for tautomerization studies, using porphycene, a porphyrin isomer, as an example. Fluorescence anisotropy techniques allow investigations of self-exchange reactions, where the reactant and product are formally identical. Excitation with polarized light makes it possible to monitor tautomerization in single molecules and to detect their three-dimensional orientation. Analysis of fluorescence from single vibronic levels of jet-isolated porphycene not only demonstrates coherent tunneling of two internal protons, but also indicates that the process is vibrational mode-specific. Next, we present bifunctional proton donoracceptor systems, molecules that are able, depending on the environment, to undergo excited state single intramolecular or double intermolecular proton transfer. For molecules that have donor and acceptor groups located in separate moieties linked by a single bond, excited state tautomerization can be coupled to mutual twisting of the two subunits.

  15. Equation of state and shock compression of carbon-hydrogen and other ablator materials

    Science.gov (United States)

    Zhang, S.; Militzer, B.; Whitley, H.

    2017-12-01

    Dynamic compression experiments in planetary interior studies and fusion sciences often implement carbon-hydrogen or other low-Z elements or compounds as ablators. Accurate quantum simulations of these materials enables theoretical investigation of the equation of state (EOS) over temperatures and pressures that are difficult to access experimentally, and can help guide the design of targets for future experiments. In this work, we use path integral Monte Carlo and density functional molecular dynamics to calculate the equation of state of a series of hydrocarbons and other low-Z materials (B, B4C, and BN). For the hydrocarbon with C:H=1:1, we predict the pressure-compression profile to agree remarkably with experiments at low pressures. At high pressures, we find the Hugoniot curve displays a single compression maximum of 4.7 that corresponds to K-shell ionization. This is slightly higher than that of glow-discharge polymers but both occur at the same pressure (0.47 Gbar). We study the linear mixing approximation for the EOS of hydrocarbons and demonstrate its validity at stellar core conditions. We examine the sensitivity of the fusion yield to the EOS of these candidate ablator materials in radiation-hydrodynamic simulations of a direct-drive implosion. We also make detailed comparisons of the EOS and atomic and electronic structure of C and BN, which is useful for systematic improvement of existing EOS models. Prepared by LLNL under Contract DE-AC52-07NA27344.

  16. Non-typical fluorescence studies of excited and ground state proton and hydrogen transfer

    KAUST Repository

    Gil, Michał

    2017-02-03

    Fluorescence studies of tautomerization have been carried out for various systems that exhibit single and double proton or hydrogen translocation in various environments, such as liquid and solid condensed phases, ultracold supersonic jets, and finally, polymer matrices with single emitters.We focus on less explored areas of application of fluorescence for tautomerization studies, using porphycene, a porphyrin isomer, as an example. Fluorescence anisotropy techniques allow investigations of self-exchange reactions, where the reactant and product are formally identical. Excitation with polarized light makes it possible to monitor tautomerization in single molecules and to detect their three-dimensional orientation. Analysis of fluorescence from single vibronic levels of jet-isolated porphycene not only demonstrates coherent tunneling of two internal protons, but also indicates that the process is vibrational mode-specific. Next, we present bifunctional proton donoracceptor systems, molecules that are able, depending on the environment, to undergo excited state single intramolecular or double intermolecular proton transfer. For molecules that have donor and acceptor groups located in separate moieties linked by a single bond, excited state tautomerization can be coupled to mutual twisting of the two subunits.

  17. Quantification of protein backbone hydrogen-deuterium exchange rates by solid state NMR spectroscopy

    International Nuclear Information System (INIS)

    Lopez del Amo, Juan-Miguel; Fink, Uwe; Reif, Bernd

    2010-01-01

    We present the quantification of backbone amide hydrogen-deuterium exchange rates (HDX) for immobilized proteins. The experiments make use of the deuterium isotope effect on the amide nitrogen chemical shift, as well as on proton dilution by deuteration. We find that backbone amides in the microcrystalline α-spectrin SH3 domain exchange rather slowly with the solvent (with exchange rates negligible within the individual 15 N-T 1 timescales). We observed chemical exchange for 6 residues with HDX exchange rates in the range from 0.2 to 5 s -1 . Backbone amide 15 N longitudinal relaxation times that we determined previously are not significantly affected for most residues, yielding no systematic artifacts upon quantification of backbone dynamics (Chevelkov et al. 2008b). Significant exchange was observed for the backbone amides of R21, S36 and K60, as well as for the sidechain amides of N38, N35 and for W41ε. These residues could not be fit in our previous motional analysis, demonstrating that amide proton chemical exchange needs to be considered in the analysis of protein dynamics in the solid-state, in case D 2 O is employed as a solvent for sample preparation. Due to the intrinsically long 15 N relaxation times in the solid-state, the approach proposed here can expand the range of accessible HDX rates in the intermediate regime that is not accessible so far with exchange quench and MEXICO type experiments.

  18. Spectroscopic Measurements of Impurity Spectra on the EAST Tokamak

    International Nuclear Information System (INIS)

    Fu Jia; Li Yingying; Shi Yuejiang; Wang Fudi; Zhang Wei; Lv Bo; Huang Juan; Wan Baonian; Zhou Qian

    2012-01-01

    Ultraviolet (UV) and visible impurity spectra (200∼750 nm) are commonly used to study plasma and wall interactions in magnetic fusion plasmas. Two optical multi-channel analysis (OMA) systems have been installed for the UV-visible spectrum measurement on EAST. These two OMA systems are both equipped with the Czerny-Turner (C-T) type spectrometer. The upper vacuum vessel and inner divertor baffle can be viewed simultaneously through two optical lenses. The OMA1 system is mainly used for multi-impurity lines radiation measurement. A 280 nm wavelength range can be covered by a 300 mm focal length spectrometer equipped with a 300 grooves/mm grating. The Dα/Hα line shapes can be resolved by the OMA2 system. The focal length is 750 mm. The spectral resolution can be up to 0.01 nm using a 1800 grooves/mm grating. The impurity behaviour and hydrogen ratio evolution after boroniztion, lithium coating, and siliconization are compared. Lithium coating has shown beneficial effects on the reduction of edge recycling and low Z impurity (C, O) influx. The impurity expelling effect of the divertor configuration is also briefly discussed through multi-channels observation of OMA1 system. (magnetically confined plasma)

  19. Recent Advances in the Use of Sodium Borohydride as a Solid State Hydrogen Store

    Directory of Open Access Journals (Sweden)

    Jianfeng Mao

    2015-01-01

    Full Text Available The development of new practical hydrogen storage materials with high volumetric and gravimetric hydrogen densities is necessary to implement fuel cell technology for both mobile and stationary applications. NaBH4, owing to its low cost and high hydrogen density (10.6 wt%, has received extensive attention as a promising hydrogen storage medium. However, its practical use is hampered by its high thermodynamic stability and slow hydrogen exchange kinetics. Recent developments have been made in promoting H2 release and tuning the thermodynamics of the thermal decomposition of solid NaBH4. These conceptual advances offer a positive outlook for using NaBH4-based materials as viable hydrogen storage carriers for mobile applications. This review summarizes contemporary progress in this field with a focus on the fundamental dehydrogenation and rehydrogenation pathways and properties and on material design strategies towards improved kinetics and thermodynamics such as catalytic doping, nano-engineering, additive destabilization and chemical modification.

  20. Effects of hydrogen bonds on solid state TATB, RDX, and DATB under high pressures

    International Nuclear Information System (INIS)

    Guo Feng; Hu Hai-Quan; Zhang Hong; Cheng Xin-Lu

    2014-01-01

    To probe the behavior of hydrogen bonds in solid energetic materials, we conduct ReaxFF and SCC–DFTB molecular dynamics simulations of crystalline TATB, RDX, and DATB. By comparing the intra- and inter-molecular hydrogen bonding rates, we find that the crystal structures are stabilized by inter-molecular hydrogen bond networks. Under high-pressure, the inter- and intra-molecular hydrogen bonds in solid TATB and DATB are nearly equivalent. The hydrogen bonds in solid TATB and DATB are much shorter than in solid RDX, which suggests strong hydrogen bond interactions existing in these energetic materials. Stretching of the C–H bond is observed in solid RDX, which may lead to further decomposition and even detonation. (condensed matter: structural, mechanical, and thermal properties)

  1. Collision of impurities with Bose–Einstein condensates

    Science.gov (United States)

    Lingua, F.; Lepori, L.; Minardi, F.; Penna, V.; Salasnich, L.

    2018-04-01

    Quantum dynamics of impurities in a bath of bosons is a long-standing problem in solid-state, plasma, and atomic physics. Recent experimental and theoretical investigations with ultracold atoms have focused on this problem, studying atomic impurities immersed in an atomic Bose–Einstein condensate (BEC) and for various relative coupling strengths tuned by the Fano‑Feshbach resonance technique. Here, we report extensive numerical simulations on a closely related problem: the collision between a bosonic impurity consisting of a few 41K atoms and a BEC of 87Rb atoms in a quasi one-dimensional configuration and under a weak harmonic axial confinement. For small values of the inter-species interaction strength (regardless of its sign), we find that the impurity, which starts from outside the BEC, simply causes the BEC cloud to oscillate back and forth, but the frequency of oscillation depends on the interaction strength. For intermediate couplings, after a few cycles of oscillation the impurity is captured by the BEC, and strongly changes its amplitude of oscillation. In the strong interaction regime, if the inter-species interaction is attractive, a local maximum (bright soliton) in the BEC density occurs where the impurity is trapped; if, instead, the inter-species interaction is repulsive, the impurity is not able to enter the BEC cloud and the reflection coefficient is close to one. However, if the initial displacement of the impurity is increased, the impurity is able to penetrate the cloud, leading to the appearance of a moving hole (dark soliton) in the BEC.

  2. Striped morphologies induced by magnetic impurities in d-wave superconductors

    Science.gov (United States)

    Zuo, Xian-Jun

    2011-05-01

    We study striped morphologies induced by magnetic impurities in d-wave superconductors (DSCs) near optimal doping by self-consistently solving the Bogoliubov-de Gennes equations based on the t - t‧ - U - V model. For the single-impurity case, it is found that the stable ground state is a modulated checkerboard pattern. For the two-impurity case, the stripe-like structures in order parameters are induced due to the impurity-pinning effect. The modulations of DSC and charge orders share the same period of four lattice constants (4 a), which is half the period of modulations in the coexisting spin order. Interestingly, when three or more impurities are inserted, the impurities could induce more complex striped morphologies due to quantum interference. Further experiments of magnetic impurity substitution in DSCs are expected to check these results.

  3. Impurities of oxygen in silicon

    International Nuclear Information System (INIS)

    Gomes, V.M.S.

    1985-01-01

    The electronic structure of oxygen complex defects in silicon, using molecular cluster model with saturation by watson sphere into the formalism of Xα multiple scattering method is studied. A systematic study of the simulation of perfect silicon crystal and an analysis of the increasing of atom number in the clusters are done to choose the suitable cluster for the calculations. The divacancy in three charge states (Si:V 2 + , Si:V 2 0 , Si:V 2 - ), of the oxygen pair (Si:O 2 ) and the oxygen-vacancy pair (Si:O.V) neighbours in the silicon lattice, is studied. Distortions for the symmetry were included in the Si:V 2 + and Si:O 2 systems. The behavior of defect levels related to the cluster size of Si:V 2 0 and Si:O 2 systems, the insulated oxygen impurity of silicon in interstitial position (Si:O i ), and the complexes involving four oxygen atoms are analysed. (M.C.K.) [pt

  4. Particle fueling and impurity control in PDX

    International Nuclear Information System (INIS)

    Fonck, R.J.; Bell, M.; Bol, K.

    1984-12-01

    Fueling requirements and impurity levels in neutral-beam-heated discharges in the PDX tokamak have been compared for plasmas formed with conventional graphite rail limiters, a particle scoop limiter, and an open or closed poloidal divertor. Gas flows necessary to obtain a given density are highest for diverted discharges and lowest for the scoop limiter. Hydrogen pellet injection provides an efficient alternate fueling technique, and a multiple pellet injector has produced high density discharges for an absorbed neutral beam power of up to 600 kW, above which higher speeds or more massive pellets are required for penetration to the plasma core. Power balance studies indicate that 30 to 40% of the total input power is radiated while approx. 15% is absorbed by the limiting surface, except in the open divertor case, where 60% flows to the neutralizer plate. In all operating configurations, Z/sub eff/ usually rises at the onset of neutral beam injection. Both open divertor plasmas and those formed on a well conditioned water-cooled limiter have Z/sub eff/ less than or equal to 2 at the end of neutral injection. A definitive comparison of divertors and limiters for impurity control purposes requires longer beam pulses or higher power levels than available on present machines

  5. Picometer registration of zinc impurity states in Bi2Sr2CaCu2O8+δ for phase determination in intra-unit-cell Fourier transform STM

    International Nuclear Information System (INIS)

    Hamidian, M H; Firmo, I A; Fujita, K; Mukhopadhyay, S; Davis, J C; Orenstein, J W; Eisaki, H; Uchida, S; Lawler, M J; Kim, E-A

    2012-01-01

    Direct visualization of electronic-structure symmetry within each crystalline unit cell is a new technique for complex electronic matter research (Lawler et al 2010 Nature 466 347-51, Schmidt et al 2011 New J. Phys. 13 065014, Fujita K et al 2012 J. Phys. Soc. Japan 81 011005). By studying the Bragg peaks in Fourier transforms of electronic structure images and particularly by resolving both the real and imaginary components of the Bragg amplitudes, distinct types of intra-unit-cell symmetry breaking can be studied. However, establishing the precise symmetry point of each unit cell in real space is crucial in defining the phase for such a Bragg-peak Fourier analysis. Exemplary of this challenge is the high-temperature superconductor Bi 2 Sr 2 CaCu 2 O 8+δ for which the surface Bi atom locations are observable, while it is the invisible Cu atoms that define the relevant CuO 2 unit-cell symmetry point. Here we demonstrate, by imaging with picometer precision the electronic impurity states at individual Zn atoms substituted at Cu sites, that the phase established using the Bi lattice produces a ∼2%(2π) error relative to the actual Cu lattice. Such a phase assignment error would not diminish reliability in the determination of intra-unit-cell rotational symmetry breaking at the CuO 2 plane (Lawler et al 2010 Nature 466 347-51, Schmidt et al 2011 New J. Phys. 13 065014, Fujita K et al 2012 J. Phys. Soc. Japan 81 011005). Moreover, this type of impurity atom substitution at the relevant symmetry site can be of general utility in phase determination for the Bragg-peak Fourier analysis of intra-unit-cell symmetry. (paper)

  6. Application of secondary ion emission to impurity control in tokamaks

    International Nuclear Information System (INIS)

    Krauss, A.R.; Gruen, D.M.

    1979-01-01

    The extent to which high Z impurities enter the plasma of a magnetic confinement fusion device depends on the kinetic energy, angle of emission, and very importantly, the charge state of the ejected material. We have been studying both the fundamental process of secondary ion emission and possible techniques for producing surfaces which give rise to high ion fractions during sputtering, with a view to assessing the potential of this approach to impurity control in tokamaks. By carefully choosing materials exposed to fusion plasmas and by properly modifying the surface it may be possible to insure that nearly all the impurities are ejected as ions. As long as certain gas blanket configurations are avoided and especially if a divertor is used, it should then be possible to remove the impurities before they reach the plasma. The relative merits of a variety of materials are considered with regard to this application

  7. The effect of edge and impurities sites properties on their localized states in semi-infinite zigzag edged 2D honeycomb graphene sheet

    OpenAIRE

    Ahmed, Maher

    2011-01-01

    In this work, the tridiagonal method is used to distinguish between edges modes and area modes to study the edge sites properties effect on edge localized states of semi-infinite zigzag 2D honeycomb graphene sheet. The results show a realistic behavior for the dependance of edge localized states of zigzag graphene on the edge sites properties which explaining the experimental results of measured local density of states at the edge of graphene, while at the same time removing the inconsistence...

  8. Hydrogen Storage Materials for Mobile and Stationary Applications: Current State of the Art.

    Science.gov (United States)

    Lai, Qiwen; Paskevicius, Mark; Sheppard, Drew A; Buckley, Craig E; Thornton, Aaron W; Hill, Matthew R; Gu, Qinfen; Mao, Jianfeng; Huang, Zhenguo; Liu, Hua Kun; Guo, Zaiping; Banerjee, Amitava; Chakraborty, Sudip; Ahuja, Rajeev; Aguey-Zinsou, Kondo-Francois

    2015-09-07

    One of the limitations to the widespread use of hydrogen as an energy carrier is its storage in a safe and compact form. Herein, recent developments in effective high-capacity hydrogen storage materials are reviewed, with a special emphasis on light compounds, including those based on organic porous structures, boron, nitrogen, and aluminum. These elements and their related compounds hold the promise of high, reversible, and practical hydrogen storage capacity for mobile applications, including vehicles and portable power equipment, but also for the large scale and distributed storage of energy for stationary applications. Current understanding of the fundamental principles that govern the interaction of hydrogen with these light compounds is summarized, as well as basic strategies to meet practical targets of hydrogen uptake and release. The limitation of these strategies and current understanding is also discussed and new directions proposed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Complex Metal Hydrides for hydrogen storage and solid-state ion conductors

    DEFF Research Database (Denmark)

    Payandeh GharibDoust, SeyedHosein

    and electricity in batteries. However, both hydrogen and electricity must be stored in a very dense way to be useful, e.g. for mobile applications. Complex metal hydrides have high hydrogen density and have been studied during the past twenty years in hydrogen storage systems. Moreover, they have shown high ionic...... conductivities which promote their application as solid electrolytes in batteries. This dissertation presents the synthesis and characterization of a variety of complex metal hydrides and explores their hydrogen storage properties and ionic conductivity. Five halide free rare earth borohydrides RE(BH4)3, (RE...... = La, Ce, Pr, Nd, Er) have been synthesized, which pave the way for studying the polymorphic transition in these compounds, obtaining new bimetallic borohydrides and designing new reactive hydride composites with improved hydrogen storage capacities. Two novel polymorphs of Pr(BH4)3 are identified...

  10. Hydrogen as a New Alloying Element in Metals

    International Nuclear Information System (INIS)

    Shapovalov, Vladimir

    1999-01-01

    Hydrogen was regarded as a harmful impurity in many alloys and particularly in steels where it gives rise to a specific type of embrittlement and forms various discontinuities like flakes and blowholes. For this reason, the researcher efforts were mainly focused on eliminating hydrogen's negative impacts and explaining its uncommonly high diffusivity in condensed phases. Meanwhile, positive characteristics of hydrogen as an alloying element remained unknown for quite a long time. Initial reports in this field did not appear before the early 1970s. Data on new phase diagrams are given for metal-hydrogen systems where the metal may or may not form hydrides. Various kinds of hydrogen impact on structure formation in solidification, melting and solid-solid transformations are covered. Special attention is given to the most popular alloys based on iron, aluminum, copper, nickel, magnesium and titanium. Detailed is what is called gas-eutectic reaction resulting in a special type of gas-solid structure named gasarite. Properties and applications of gasars - gasaritic porous materials - are dealt with. Various versions of solid-state alloying with hydrogen are discussed that change physical properties and fabrication characteristics of metals. Details are given on a unique phenomenon of anomalous spontaneous deformation due to combination of hydrogen environment and polymorphic transformation. All currently known versions of alloying with hydrogen are categorized for both hydride-forming and non-hydrid forming metals

  11. Design of long pulse/steady state negative hydrogen ion sources for fusion applications

    International Nuclear Information System (INIS)

    Prelec, K.

    1980-01-01

    By using parameters of ion sources when operating in a pulsed mode and without cooling (pulse length 2 . For the range of cathode power densities between 0.2 kW/cm 2 and 1 Kw/cm 2 , nucleated boiling has to be used for heat removal; below 0.2 kW/cm 2 water flow cooling suffices. Although this source should deliver 0.3 to 0.5 A of H - ions in a steady state operation and at full power, the other source, which has a magnetron geometry, is more promising. The latter incorporates two new features compared to first designs, geometrical focusing of fast, primary negative hydrogen ions from the cathode into the extraction slit, and a wider discharge gap in the back of the source. These two changes have resulted in an improvement of the power and gas efficiencies by a factor of 3 to 4 and in a reduction of the cathode power density by an order of magnitude. The source has water cooling for all the electrodes, because maximum power densities will not be higher than 0.2 kW/cm 2 . Very recently a modification of this magnetron source is being considered; it consists of plasma injection into the source from a hollow cathode discharge

  12. Hydrogen-like spectrum of spontaneously created brane universes with de-Sitter ground state

    Science.gov (United States)

    Davidson, Aharon

    2018-05-01

    Unification of Randall-Sundrum and Regge-Teitelboim brane cosmologies gives birth to a serendipitous Higgs-deSitter interplay. A localized Dvali-Gabadadze-Porrati scalar field, governed by a particular (analytically derived) double-well quartic potential, becomes a mandatory ingredient for supporting a deSitter brane universe. When upgraded to a general Higgs potential, the brane surface tension gets quantized, resembling a Hydrogen atom spectrum, with deSitter universe serving as the ground state. This reflects the local/global structure of the Euclidean manifold: From finite energy density no-boundary initial conditions, via a novel acceleration divide filter, to exact matching conditions at the exclusive nucleation point. Imaginary time periodicity comes as a bonus, with the associated Hawking temperature vanishing at the continuum limit. Upon spontaneous creation, while a finite number of levels describe universes dominated by a residual dark energy combined with damped matter oscillations, an infinite tower of excited levels undergo a Big Crunch.

  13. Reaction of hydrogen with Ag(111): binding states, minimum energy paths, and kinetics.

    Science.gov (United States)

    Montoya, Alejandro; Schlunke, Anna; Haynes, Brian S

    2006-08-31

    The interaction of atomic and molecular hydrogen with the Ag(111) surface is studied using periodic density functional total-energy calculations. This paper focuses on the site preference for adsorption, ordered structures, and energy barriers for H diffusion and H recombination. Chemisorbed H atoms are unstable with respect to the H(2) molecule in all adsorption sites below monolayer coverage. The three-hollow sites are energetically the most favorable for H chemisorption. The binding energy of H to the surface decreases slightly up to one monolayer, suggesting a small repulsive H-H interaction on nonadjacent sites. Subsurface and vacancy sites are energetically less favorable for H adsorption than on-top sites. Recombination of chemisorbed H atoms leads to the formation of gas-phase H(2) with no molecular chemisorbed state. Recombination is an exothermic process and occurs on the bridge site with a pronounced energy barrier. This energy barrier is significantly higher than that inferred from experimental temperature-programmed desorption (TPD) studies. However, there is significant permeability of H atoms through the recombination energy barrier at low temperatures, thus increasing the rate constant for H(2) desorption due to quantum tunneling effects, and improving the agreement between experiment and theory.

  14. Tunable magnetic states on the zigzag edges of hydrogenated and halogenated group-IV nanoribbons

    Science.gov (United States)

    Chuang, Feng-Chuan; Wang, Tzu-Cheng; Hsu, Chia-Hsiu; Huang, Zhi-Quan; Su, Wan-Sheng; Guo, Guang-Yu

    The magnetic and electronic properties of hydrogenated and halogenated group-IV zigzag nanoribbons (ZNRs) are investigated by first-principles density functional calculations. Fascinatingly, we find that all the ZNRs have magnetic edges with a rich variety of electronic and magnetic properties tunable by selecting the parent and passivating elements as well as controlling the magnetization direction and external strain. In particular, the electric property of the edge band structure can be tuned from the conducting to insulating with a band gap up to 0.7 eV, depending on the parent and passivating elements as well as the applied strain, magnetic configuration and magnetization orientation. The last controllability would allow us to develop magnetic on-off nano-switches. Furthermore, ZNRs such as SiI, Ge, GeI and SnH, have fully spin-polarized metallic edge states and thus are promising materials for spintronics. The calculated magnetocrystalline anisotropy energy can be as large as 9 meV/edge-site, being 2000 time greater than that of bulk Ni and Fe ( 5 μeV/atom), and thus has great potential for high density magneto-electric data-storage devices. Finally, the calculated exchange coupling strength and thus magnetic transition temperature increases as the applied strain goes from -5 % to 5 %. Our findings thus show that these ZNRs would have exciting applications in next-generation electronic and spintronic nano-devices.

  15. Investigation by the Rutherford backscattering method of impurity deposited on the T-3M tokamak diaphragm

    International Nuclear Information System (INIS)

    Danelyan, L.S.; Egorova, I.M.; Kulikauskas, V.S.; Baratov, D.G.; Belykh, T.A.

    1994-01-01

    The Rutherford backscattering of helium-4 ions was used for investigation of impurity deposited on the annular graphite diaphragm as a result of the interaction between hydrogen plasma and liquid-metal spray limiter. The experimental RBS spectra distributions of the impurity elements surface densities along the direction from plasma to the chamber wall are presented as depth of the elements. The erosion coefficient of the main liquid-metal limiter element has been estimated

  16. Final Report - Effects of Impurities on Fuel Cell Performance and Durability

    Energy Technology Data Exchange (ETDEWEB)

    Trent Molter

    2012-08-18

    This program is focused on the experimental determination of the effects of key hydrogen side impurities on the performance of PEM fuel cells. Experimental data has been leveraged to create mathematical models that predict the performance of PEM fuel cells that are exposed to specific impurity streams. These models are validated through laboratory experimentation and utilized to develop novel technologies for mitigating the effects of contamination on fuel cell performance. Results are publicly disseminated through papers, conference presentations, and other means.

  17. Superpermeable membrane for particle control in divertor: the effect of impurity deposition

    International Nuclear Information System (INIS)

    Nakahara, Y.; Nakamura, Y.; Ohyabu, N.; Suzuki, H.; Busnyuk, A.; Alimov, V.

    2000-01-01

    The effect of impurity (stainless steel (SS) components, carbon) deposition onto niobium membrane surface on the membrane permeability to hydrogen particles is investigated with a plasma device. The deposition of SS components onto the upstream surface of the membrane at the membrane temperature (T M ) M M ≥800 deg. C. It appears to be due to the dissolution of the impurities deposited onto the upstream surface into the membrane bulk within the measurements

  18. Deep impurity levels in n-type copper oxides

    International Nuclear Information System (INIS)

    Ovchinnikov, S.G.

    1994-01-01

    The density of Nd 2-x Ce x CuO 4 monoparticle states was calculated by the method of precise diagonalization of multielectron hamiltonian of 6-zone model for CuO cluster. Emergence of a deep impurity state of a symmetry in the middle of dielectric slit, which is a mixture of d z 2-states of copper and a 1 -molecular orbital of oxygen, is shown. Fluctuation of parameters of p-d jump and energies of charge transfer provide additional fine impurity levels near the bottom of conductivity zone and ceiling of valency zone. 30 refs., 4 figs

  19. Suicide Fads: Frequency and Characteristics of Hydrogen Sulfide Suicides in the United States

    Directory of Open Access Journals (Sweden)

    Reedy, Sarah Jane

    2011-07-01

    Full Text Available Objective: To assess the frequency of hydrogen sulfide (H2S suicides and describe the characteristics of victims in the United States (U.S. since the technique became common in Japan in 2007.Methods: To ascertain the frequency of intentional H2S related deaths in the U.S. prior to the start of the Japanese trend in 2007, we searched the multiple-cause-of-death data from the National Vital Statistics System. To collect as much information about the victims as possible, we sent an email to the National Association of Medical Examiners (NAME listserv asking for their cooperation in identifying cases of H2S suicide. To identify cases that were not voluntarily reported by medical examiners but were reported by the media, we conducted Google searches using the search terms: “hydrogen sulfide suicide,” “H2S suicide,” “detergent suicide,” “chemical suicide,” and “suicide fad.” We obtained all available autopsy reports and abstracted information, including the site of the incident, the presence of a note warning others about the toxic gas and the demographic characteristics of the victims. We contacted medical examiners who potentially had custody of the cases that were identified through media reports and requested autopsies of these victims. When unable to obtain the autopsies, we gathered information from the media reports.Results: Forty-five deaths from H2S exposure occurred in the U.S. from 1999 to 2007, all unintentional. Responses from the NAME listserv yielded autopsy reports for 11 victims, and Google searches revealed an additional 19 H2S suicides in the U.S. since 2008. Overall (n=30, two cases were identified during 2008, 10 in 2009, and 18 in 2010. The majority of victims were white males, less than 30-years-old, left a warning note, and were found in cars. There were five reports of injuries to first responders, but no secondary fatalities.Conclusion: H2S suicides are increasing in the U.S., and their incidence is

  20. Isotope effects of trapped electron modes in the presence of impurities in tokamak plasmas

    Science.gov (United States)

    Shen, Yong; Dong, J. Q.; Sun, A. P.; Qu, H. P.; Lu, G. M.; He, Z. X.; He, H. D.; Wang, L. F.

    2016-04-01

    The trapped electron modes (TEMs) are numerically investigated in toroidal magnetized hydrogen, deuterium and tritium plasmas, taking into account the effects of impurity ions such as carbon, oxygen, helium, tungsten and others with positive and negative density gradients with the rigorous integral eigenmode equation. The effects of impurity ions on TEMs are investigated in detail. It is shown that impurity ions have substantially-destabilizing (stabilizing) effects on TEMs in isotope plasmas for {{L}ez}\\equiv {{L}ne}/{{L}nz}>0 (TEM turbulences in hydrogenic isotope plasmas with and without impurities are performed. The relations between the maximum growth rate of the TEMs with respect to the poloidal wave number and the ion mass number are given in the presence of the impurity ions. The results demonstrate that the maximum growth rates scale as {γ\\max}\\propto Mi-0.5 in pure hydrogenic plasmas. The scale depends on the sign of its density gradient and charge number when there is a second species of (impurity) ions. When impurity ions have density profiles peaking inwardly (i.e. {{L}ez}\\equiv {{L}ne}/{{L}nz}>0 ), the scaling also depends on ITG parameter {ηi} . The maximum growth rates scale as {γ\\max}\\propto M\\text{eff}-0.5 for the case without ITG ({ηi}=0 ) or the ITG parameter is positive ({ηi}>0 ) but the impurity ion charge number is low (Z≤slant 5.0 ). However, when {ηi}>0 and the impurity ion charge number is moderate (Z=6.0-8.0 ), the scaling law is found as {γ\\max}\\propto M\\text{eff}-1.0 . Here, Z is impurity ion charge number, and the effective mass number, {{M}\\text{eff}}=≤ft(1-{{f}z}\\right){{M}i}+{{f}z}{{M}z} , with {{M}i} and {{M}Z} being the mass numbers of the hydrogenic and impurity ions, respectively, and {{f}z}=Z{{n}0z}/{{n}0e} being the charge concentration of impurity ions. In addition, with regard to the case of {{L}ez}<0 , the maximum growth rate scaling is {γ\\max}\\propto Mi-0.5 . The possible relations of the results

  1. Semi-solid state fermentation of bagasse for hydrogen production; the cost-effective approach in Indian context

    International Nuclear Information System (INIS)

    Singh, S.P.; Asthana, R.K.; Singh, A.P.

    2006-01-01

    Semi-solid state fermentation route of hydrogen production from agro-waste sugar cane bagasse was tried using the photosynthetic bacterium Rhodopseudomonas (BHU strain-1) and the non-photosynthetic Enterobacter aerogenes MTCC2822. The process seems an alternative to submerged fermentation that requires high volumes of nutrient broth. Bagasse (10 g) pre-hydrolyzed with NaOH (2%, w/v) was coated with Ca-alginate (1.5%, v/v) containing Rhodopseudomonas and E. aerogenes in the co-immobilized state (300 μg bacterial biomass ml -1 ). The fermenting medium was just 150 ml to sustain the moistened bagasse in a 0.5 L fermenter kept in light. A parallel set of free bacterial cells served as control. Hydrogen production by the immobilized sets reached 30 L within 60 h with the average rate of 0.177 L H 2 h -1 . For free cells, the values for hydrogen output (20 L) or the rate 0.1125 L H 2 h -1 were approximately 1.5-fold low. It is proposed that semi-solid fermentation route of hydrogen production from bagasse will be a cost-effective technology in countries generating this agro-waste. (authors)

  2. Semi-solid state fermentation of bagasse for hydrogen production; the cost-effective approach in Indian context

    Energy Technology Data Exchange (ETDEWEB)

    Singh, S.P.; Asthana, R.K.; Singh, A.P. [Centre of Advanced Study in Botany, Banaras Hindu University, Varanasi-221005, (India)

    2006-07-01

    Semi-solid state fermentation route of hydrogen production from agro-waste sugar cane bagasse was tried using the photosynthetic bacterium Rhodopseudomonas (BHU strain-1) and the non-photosynthetic Enterobacter aerogenes MTCC2822. The process seems an alternative to submerged fermentation that requires high volumes of nutrient broth. Bagasse (10 g) pre-hydrolyzed with NaOH (2%, w/v) was coated with Ca-alginate (1.5%, v/v) containing Rhodopseudomonas and E. aerogenes in the co-immobilized state (300 {mu}g bacterial biomass ml{sup -1}). The fermenting medium was just 150 ml to sustain the moistened bagasse in a 0.5 L fermenter kept in light. A parallel set of free bacterial cells served as control. Hydrogen production by the immobilized sets reached 30 L within 60 h with the average rate of 0.177 L H{sub 2} h{sup -1}. For free cells, the values for hydrogen output (20 L) or the rate 0.1125 L H{sub 2} h{sup -1} were approximately 1.5-fold low. It is proposed that semi-solid fermentation route of hydrogen production from bagasse will be a cost-effective technology in countries generating this agro-waste. (authors)

  3. Overview of energy/hydrogen storage: state-of-the-art of the technologies and prospects for nanomaterials

    International Nuclear Information System (INIS)

    Conte, M.; Prosini, P.P.; Passerini, S.

    2004-01-01

    A sustainable energy economy will be demanding primary energy sources, preferably renewable and mainly domestically available, using energy carriers, such as hydrogen and electricity, able to solve environmental problems and to assure adequate energy security. Instrumental to such goals will be the research and development of storage systems with performance characteristics compatible with major application requirements. Lithium or nickel are replacing lead in batteries, in order to better meet the extremely varying technical and economical requirements in fast growing conventional and new applications. Moreover, few technologies now permit to store hydrogen by modifying its physical state in gaseous or liquid form. The variety of hydrogen needs in the energy systems and in the vehicular sector is justifying the effort on solid state (metal hydrides and carbon nanostructures) or chemical systems (chemical hydrides). In this overview, emphasis is given to the major achievements in the field of electrical energy and hydrogen storage, in relation to the technological goals, which have been proposed in the major public research and collaborative programs throughout the world

  4. State of the art and environmental benefits using methane-hydrogen blends

    International Nuclear Information System (INIS)

    Faedo, D.

    2007-01-01

    Hythane is the patented mixture of 15% (by energy content) of hydrogen in CNG: in other proportions the blend is called HCNG. Hydrogen addition to CNG extends the lean burn limit of a natural gas engine, and has the potential to lower the nitrogen oxides emissions and to improve the engine thermal efficiency, with minor hardware changes necessary. This paper reports the benefits of hydrogen to CNG in S.I. engine, and a brief review of the results obtained in this field [it

  5. Fuel cell collaboration in the United States. A report to the Danish Partnership for Hydrogen and Fuel Cells

    Energy Technology Data Exchange (ETDEWEB)

    2011-08-15

    The purpose of this report is to provide members of the Danish Partnership for Hydrogen and Fuel Cells with information regarding collaborative opportunities in the United States. The report is designed to provide an overview of key issues and activities and to provide guidance on strategies for finding U.S. research and commercial partners and gaining access to the U.S. market. Section 1 of this report provides an overview of the key drivers of policy at the federal and state government levels regarding hydrogen and fuel cell technologies and provides a perspective of the U.S. industry and key players. It also suggests three general pathways for accessing U.S. opportunities: enhancing visibility; developing vendor relationships; and establishing a formal presence in the U.S. The next sections summarize focus areas for commercial and research activity that currently are of the greatest interest in the U.S. Section 2 describes major programs within the federal government and national laboratories, and discusses various methods for identifying R and D funding opportunities, with an overview of federal acquisition regulations. Section 3 reviews the efforts of several state governments engaging the fuel cell industry as an economic driver and presents an overview of acquisition at the state level. Section 4 discusses university research and development (R and D) and university-industry partnerships. There are 12 appendices attached to the report. These appendices provide more detailed information regarding the key federal government agencies involved in fuel cells and hydrogen, state-specific policies and activities, national laboratories and universities, and other information regarding the fuel cell and hydrogen industry in the U.S. (Author)

  6. Vapor-liquid equilibrium prediction with pseudo-cubic equation of state for binary mixtures containing hydrogen, helium, or neon

    Energy Technology Data Exchange (ETDEWEB)

    Kato, M.; Tanaka, H. (Nihon Univ.,Fukushima, (Japan). Faculty of Enineering)

    1990-03-01

    As an equation of state of vapor-liquid equilibrium, an original pseudo-cubic equation of state was previously proposed by the authors of this report and its study is continued. In the present study, new effective critical values of hydrogen, helium and neon were determined empirically from vapor-liquid equilibrium data of literature values against their critical temperatures, critical pressures and critical volumes. The vapor-liquid equilibrium relations of binary system quantum gas mixtures were predicted combining the conventinal pseudo-cubic equation of state and the new effective critical values, and without using binary heteromolecular interaction parameter. The predicted values of hydrogen-ethylene, helium-propane and neon-oxygen systems were compared with literature values. As a result, it was indicated that the vapor-liquid relations of binary system mixtures containing hydrogen, helium and neon can be predicted with favorable accuracy combining the effective critical values and the three parameter pseudo-cubic equation of state. 37 refs., 3 figs., 4 tabs.

  7. Effects of impurities on radiation damage in InP

    International Nuclear Information System (INIS)

    Yamaguchi, M.; Ando, K.

    1986-01-01

    Strong impurity effects upon introduction and annealing behavior of radiation-induced defects in InP irradiated with 1-MeV electrons have been found. The main defect center of 0.37-eV hole trap H4 in p-InP, which must be due to a point defect, is annealed even at room temperature. Its annealing rate is found to be proportional to the 2/3 power of the preirradiation carrier concentration in InP. Moreover, the density of the hole trap H5 (E/sub v/+0.52 eV) in p-InP, which must be due to a point defect--impurity complex, increases with increase in the InP carrier concentration. These results suggest that the radiation-induced defects in InP must recover through long-range diffusion mediated by impurity atoms. A model is proposed in which point defects diffuse to sinks through impurities so as to disappear or bind impurities so as to form point defect--impurity complexes. In addition to the long-range diffusion mechanism, the possibility of charge-state effects responsible for the thermal annealing of radiation-induced defects in InP is also discussed

  8. Impurity dynamics in stellarator W7-AS plasmas

    International Nuclear Information System (INIS)

    Igitkhanov, Yuri; Beidler, Craig D.; Burhenn, Reiner; Polunovsky, Eduard; Yamazaki, Kozo

    2006-01-01

    Numerical efforts to understand the neoclassical transport of impurities in stellarator plasmas have been undertaken. The new code solves the radial continuity equations for each ionization stage of the impurity ions for given background plasma profiles and magnetic configuration. An analytic description of the neoclassical transport coefficients based on numerical results from the DKES (Drift Kinetic Equation Solver) code and monoenergetic Monte-Carlo calculation (C.D. Beidler et al., EPS 1994), is here applied for impurity transport coefficients. The transition between the different charge states due to the ionization and recombination in balance equation is described by using the ADAS (Atomic Data and Analysis Structure) database. The impurity behavior in some typical discharges from W7-AS with moderate (NC) and improved energy confinement (HDH) has been considered. It is shown that the spatial distribution results from the competition between the radial electric field and the thermal force (which together produce a convective flux), and the diffusive term, which flattens the radial impurity distribution. The impurity ions are localized at the radial position where the convective flux goes through zero. It is also shown that for typical stellarator discharges there is no pronounced temperature screening effect as in tokamak plasmas. (author)

  9. Using hydrogen isotopes to assign origins of bats in the eastern United States

    Science.gov (United States)

    Eric R. Britzke; Susan C. Loeb; Keith A. Hobson; Christopher S. Romanek; Maarten J. Vonhof

    2009-01-01

    Stable hydrogen isotopes (dDs) in metabolically inert tissues such as feathers and hair provide a set of endogenous markers that may be useful for establishing migratory connectivity in animals. We tested the assumption...

  10. Renewable Hydrogen: Technology Review and Policy Recommendations for State-Level Sustainable Energy Futures

    OpenAIRE

    Lipman, Timothy; Edwards, Jennifer Lynn; Brooks, Cameron

    2006-01-01

    Hydrogen is emerging beyond its conventional role as an additive component for gasoline production, chemical and fertilizer manufacture, and food production to become a promising fuel for transportation and stationary power. Hydrogen offers a potentially unmatched ability to deliver a de-carbonized energy system, thereby addressing global climate change concerns, while simultaneously improving local air quality and reducing dependence on imported fossil fuels. This "trifecta" of potential ben...

  11. Divertor experiment for impurity control in DIVA

    International Nuclear Information System (INIS)

    Nagami, Masayuki

    1979-04-01

    Divertor actions of controlling the impurities and the transport of impurity ions in the plasma have been investigated in the DIVA device. Following are the results: (1) The radial transport of impurity ions is not described only by neoclassical theory, but it is strongly influenced by anomalous process. Radial diffusion of impurity ions across the whole minor radius is well described by a neoclassical diffusion superposed by the anomalous diffusion for protons. Due to this anomalous process, which spreads the radial density profile of impurity ions, 80 to 90% of the impurity flux in the plasma outer edge is shielded even in a nondiverted discharge. (2) The divertor reduces the impurity flux entering the main plasma by a factor of 2 to 4. The impurity ions shielded by the scrape-off plasma are rapidly guided into the burial chamber with a poloidal excursion time roughly equal to that of the scrape-off plasma. (3) The divertor reduces the impurity ion flux onto the main vacuum chamber by guiding the impurity ions diffusing from the main plasma into the burial chamber, thereby reducing the plasma-wall interaction caused by diffusing impurity ions at the main vacuum chamber. The impurity ions produced in the burial chamber may flow back to the main plasma through the scrape-off layer. However, roughly only 0.3% of the impurity flux into the scrape-off plasma in the burial chamber penetrates into the main plasma due to the impurity backflow. (4) A slight cooling of the scrape-off plasma with light-impurity injection effectively reduces the metal impurity production at the first wall by reducing the potential difference between the plasma and the wall, thereby reducing the accumulation of the metal impurity in the discharge. Radiation cooling by low-Z impurities in the plasma outer edge, which may become an important feature in future large tokamaks both with and without divertor, is numerically evaluated for carbon, oxygen and neon. (author)

  12. Self-consistent modeling of plasma response to impurity spreading from intense localized source

    International Nuclear Information System (INIS)

    Koltunov, Mikhail

    2012-07-01

    Non-hydrogen impurities unavoidably exist in hot plasmas of present fusion devices. They enter it intrinsically, due to plasma interaction with the wall of vacuum vessel, as well as are seeded for various purposes deliberately. Normally, the spots where injected particles enter the plasma are much smaller than its total surface. Under such conditions one has to expect a significant modification of local plasma parameters through various physical mechanisms, which, in turn, affect the impurity spreading. Self-consistent modeling of interaction between impurity and plasma is, therefore, not possible with linear approaches. A model based on the fluid description of electrons, main and impurity ions, and taking into account the plasma quasi-neutrality, Coulomb collisions of background and impurity charged particles, radiation losses, particle transport to bounding surfaces, is elaborated in this work. To describe the impurity spreading and the plasma response self-consistently, fluid equations for the particle, momentum and energy balances of various plasma components are solved by reducing them to ordinary differential equations for the time evolution of several parameters characterizing the solution in principal details: the magnitudes of plasma density and plasma temperatures in the regions of impurity localization and the spatial scales of these regions. The results of calculations for plasma conditions typical in tokamak experiments with impurity injection are presented. A new mechanism for the condensation phenomenon and formation of cold dense plasma structures is proposed.

  13. The hydrogen atom-deuterium molecule reaction: Experimental determination of product quantum state distributions

    International Nuclear Information System (INIS)

    Rinnen, K.

    1989-01-01

    The H + H 2 atom exchange reaction (and its isotopic analogs) is the simplest neutral bimolecular chemical reaction because of the small number of electrons in the system and the lightness of the nuclei. The H 3 potential energy surface (PES) is the most accurately known reactive surface (LSTH surface); there have been both quasiclassical trajectory (QCT) and quantal calculations performed on it. This is one of the few systems for which theory is ahead of experiment, and many theoretical predictions await experimental comparison. The H + D 2 → HD + D reaction is studied using thermal D 2 (∼298 K) and translationally hot hydrogen atoms. Photolysis of HI at 266 nm generates H atoms with center-of-mass collision energies of 1.3 and 0.55 eV, both of which are above the classical reaction barrier of 0.42 eV. The rovibrational population distribution of the molecular product is measured by (2+1) resonance-enhanced multiphoton ionization (REMPI). A major effort has been directed toward calibrating the (2+1) REMPI detection procedure, to determine quantitatively the relationship between ion signals and relative quantum state populations for HD. An effusive, high-temperature nozzle has been constructed to populate thermally the high rovibrational levels observed in the reaction. The results are compared to theoretical calculations of the E,F 1 Σ g + - X 1 Σ g + two-photon transition moments. For the H + D 2 reaction, the populations of all energetically accessible HD product levels are measured. Specifically, the following levels are observed: HD(v = 0, J = 0-15), HD(v = 1, J = 0-12), and HD(v = 2, J = 0-8). Of the available energy, 73% is partitioned into product translation, 18% into HD rotation, and 9% into HD vibration

  14. Resonant scattering on impurities in the quantum Hall effect

    International Nuclear Information System (INIS)

    Gurvitz, A.

    1994-06-01

    We developed a new approach to carrier transport between the edge states via resonant scattering on impurities, which is applicable both for short and long range impurities. A detailed analysis of resonant scattering on a single impurity is performed. The results used for study of the inter-edge transport by multiple resonant hopping via different impurities' site. We found the total conductance can be obtained from an effective Schroedinger equation with constant diagonal matrix elements in the Hamiltonian, where the complex non-diagonal matrix elements are the amplitudes of a carrier hopping between different impurities. It is explicitly shown how the complex phase leads to Aharonov-Bohm oscillations in the total conductance. Neglecting the contribution of self-crossing resonant-percolation trajectories, we found that the inter-edge carrier transport is similar to propagation in one-dimensional system with off-diagonal disorder. Then we demonstrated that each Landau band has an extended state Ε Ν , while all other states are localized, and the localization length behaves as L - 1 Ν (Ε) ∼ (Ε - Ε Ν ) 2 . (author)

  15. Improved stability of a metallic state in benzothienobenzothiophene-based molecular conductors: an effective increase of dimensionality with hydrogen bonds.

    Science.gov (United States)

    Higashino, Toshiki; Ueda, Akira; Yoshida, Junya; Mori, Hatsumi

    2017-03-25

    A dihydroxy-substituted benzothienobenzothiophene, BTBT(OH) 2 , was synthesized, and its charge-transfer (CT) salt, β-[BTBT(OH) 2 ] 2 ClO 4 , was successfully obtained. Thanks to the introduced hydroxy groups, a hydrogen-bonded chain structure connecting the BTBT molecules and counter anions was formed in the CT salt, which effectively increases the dimensionality of the electronic structure and consequently leads to a stable metallic state.

  16. Lamb Shift of n = 1 and n = 2 States of Hydrogen-like Atoms, 1 ≤ Z ≤ 110

    Energy Technology Data Exchange (ETDEWEB)

    Yerokhin, V. A. [Center for Advanced Studies, Peter the Great St. Petersburg Polytechnic University, Polytekhnicheskaya 29, St. Petersburg 195251 (Russian Federation); Shabaev, V. M. [Department of Physics, St. Petersburg State University, Ulianovskaya 1, Petrodvorets, St. Petersburg 198504 (Russian Federation)

    2015-09-15

    Theoretical energy levels of the n = 1 and n = 2 states of hydrogen-like atoms with the nuclear charge numbers 1 ≤ Z ≤ 110 are tabulated. The tabulation is based on ab initio quantum electrodynamics calculations performed to all orders in the nuclear binding strength parameter Zα, where α is the fine structure constant. Theoretical errors due to various effects are critically examined and estimated.

  17. Impurity Trapping of Positive Muons in Metals

    CERN Multimedia

    2002-01-01

    Polarized positive muons are implanted into metal samples. In an applied magnetic field the muon spin precession is studied. The line width in the precession frequency spectrum gives information about the static and dynamic properties of muons in a metal lattice. At temperatures where the muon is immobile within its lifetime the line width gives information about the site of location. At temperatures where the muon is mobile, the line width gives information on the diffusion process. It is known from experiments on quasi-elastic neutron scattering on hydrogen in niobium that interstitial impurities like nitrogen tend to act as traps for hydrogen. These trapping effects have now been studied systematically for muons in both f.c.c. metals (aluminium and copper) and b.c.c. metals (mainly niobium). Direct information on the trapping rates and the nature of the diffusion processes can be obtained since the muonic lifetime covers a time range where many of these processes occur.\\\\ \\\\ Mathematical models are set up ...

  18. Impurity effects in superconducting UPt3

    International Nuclear Information System (INIS)

    Aronson, M.C.; Vorenkamp, T.; Koziol, Z.; de Visser, A.; Bakker, K.; Franse, J.J.M.; Smith, J.L.

    1991-01-01

    Superconducting UPt 3 is characterized by a novel and complex magnetic field-temperature phase diagram, with two superconducting transitions at T c1 and T c2 in zero field. We have studied the effects of Pd and Y impurities on the zero field superconducting properties of UPt 3 . Resistance measurements show that both dopants increase the residual resistivity and decrease the spin fluctuation temperature in the normal state. T c1 is depressed by both dopants, but more effectively by Pd. |T c1 - T c2 | is essentially unaffected by Y doping, but increases dramatically with Pd doping

  19. Impurities in the heavy-fermion superconductor UBe13 (invited)

    International Nuclear Information System (INIS)

    Smith, J.L.; Fisk, Z.; Willis, J.O.; Batlogg, B.; Ott, H.R.

    1984-01-01

    Small amounts of Sc, Lu, Gd, Np, Ce, Th, La, and Ba have been substituted for uranium in UBe 13 to observe their effects on the superconducting and normal state properties. The thorium, which was the most complete study, resulted in an extremely unusual nonmonotonic depression of the transition temperature for a nonmagnetic impurity. This comes from an interplay that exists between the lowest temperature resistivity peak and the transition temperature, as the peak is depressed. These results suggest that heavy Fermion superconductivity is only one of the possible ground states for heavy mass electron systems. All of the impurities tested resulted in a transition temperature depression

  20. Near-infrared analysis of hydrogen-bonding in glass- and rubber-state amorphous saccharide solids.

    Science.gov (United States)

    Izutsu, Ken-ichi; Hiyama, Yukio; Yomota, Chikako; Kawanishi, Toru

    2009-01-01

    Near-infrared (NIR) spectroscopic analysis of noncrystalline polyols and saccharides (e.g., glycerol, sorbitol, maltitol, glucose, sucrose, maltose) was performed at different temperatures (30-80 degrees C) to elucidate the effect of glass transition on molecular interaction. Transmission NIR spectra (4,000-12,000 cm(-1)) of the liquids and cooled-melt amorphous solids showed broad absorption bands that indicate random configuration of molecules. Heating of the samples decreased an intermolecular hydrogen-bonding OH vibration band intensity (6,200-6,500 cm(-1)) with a concomitant increase in a free and intramolecular hydrogen-bonding OH group band (6,600-7,100 cm(-1)). Large reduction of the intermolecular hydrogen-bonding band intensity at temperatures above the glass transition (T(g)) of the individual solids should explain the higher molecular mobility and lower viscosity in the rubber state. Mixing of the polyols with a high T(g) saccharide (maltose) or an inorganic salt (sodium tetraborate) shifted both the glass transition and the inflection point of the hydrogen-bonding band intensity to higher temperatures. The implications of these results for pharmaceutical formulation design and process monitoring (PAT) are discussed.

  1. Influence of impurities on the density of states at the fermi level in the c(6x4)-C{sub 60}/Ag(1 0 0) two-dimensional superstructure

    Energy Technology Data Exchange (ETDEWEB)

    Vobornik, I. E-mail: ivana.vobornik@elettra.trieste.it; Avramova, I.; Giovanelli, L.; Panaccione, G.; Fujii, J.; Vobornik, S.; Cepek, C.; Sancrottti, M.; Rossi, G

    2003-01-01

    A number of recent results indicate that C{sub 60} films can superconduct at considerably high temperatures. The response of a material to impurities can give an information about its superconducting properties when more conventional methods for spotting superconductivity are difficult to apply. While magnetic impurities act as strong Cooper pair breakers in conventional superconductors, nonmagnetic impurities have none or negligible effect. We investigated the influence of magnetic and nonmagnetic impurities on the electronic structure of one monolayer C{sub 60} on Ag(1 0 0). Preliminary results show that the gap persists in the presence of nonmagnetic Au but it is completely suppressed in the presence of magnetic Fe, as expected for a superconductor. This result gives a support for the possible superconducting scenario in one monolayer C{sub 60} on Ag(1 0 0) and certainly requires additional experiments to be performed to assure the superconducting character of the film.

  2. Properties of magnetic impurities embedded into an anisotropic Heisenberg chain with spin gap

    International Nuclear Information System (INIS)

    Schlottmann, P.

    2000-01-01

    We consider a U(1)-invariant model consisting of the integrable anisotropic easy-axis Heisenberg chain of arbitrary spin S embedding an impurity of spin S'. The host chain has a spin gap for all values of S. The ground state properties and the elementary excitations of the host are studied as a function of the anisotropy and the magnetic field. The impurity is located on a link of the chain and interacts only with both neighboring sites. The coupling of the impurity to the lattice can be tuned by the impurity rapidity p 0 (usually playing the role of the Kondo coupling). The impurity model is then integrable as a function of two continuous parameters (the anisotropy and the impurity rapidity) and two discrete variables (the spins S and S'). The Bethe ansatz equations are derived and used to obtain the magnetization of the impurity. The impurity magnetization is non-universal as a function of p 0 . For small fields the impurity magnetization is determined by the spin gap and the van Hove singularity of the rapidity band. For an overcompensated impurity (S'< S) at intermediate fields there is a crossover to non-Fermi-liquid behavior remnant from the suppressed quantum critical point

  3. Multi-impurity polarons in a dilute Bose-Einstein condensate

    International Nuclear Information System (INIS)

    Santamore, D H; Timmermans, Eddy

    2011-01-01

    We describe the ground state of a large, dilute, neutral atom Bose-Einstein condensate (BEC) doped with N strongly coupled mutually indistinguishable, bosonic neutral atoms (referred to as ‘impurity’) in the polaron regime where the BEC density response to the impurity atoms remains significantly smaller than the average density of the surrounding BEC. We find that N impurity atoms with N ≠ 1 can self-localize at a lower value of the impurity-boson interaction strength than a single impurity atom. When the ‘bare’ short-range impurity-impurity repulsion does not play a significant role, the self-localization of multiple bosonic impurity atoms into the same single particle orbital (which we call co-self-localization) is the nucleation process of the phase separation transition. When the short-range impurity-impurity repulsion successfully competes with co-self-localization, the system may form a stable liquid of self-localized single impurity polarons. (paper)

  4. Quasilinear Carbon Transport In An Impurity Hole Plasma In LHD

    Energy Technology Data Exchange (ETDEWEB)

    Mikkelsen, David R. [PPPL; Tanaka, K. [NIFS; Nunami, M. [NIFS; Watanabe, T-H. [Nagoya University; Sugama, H. [NIFS; Yoshinuma, M. [NIFS; Suzuki, Y. [NIFS; Goto, M. [NIFS; Morita, S. [NIFS; Wieland, B. [NIFS; Yamada, I. [NIFS; Yashura, R. [NIFS; Akiyama, T. [NIFS; Pablant, Novimir A. [PPPL

    2014-04-01

    Comprehensive electrostatic gyrokinetic linear stability calculations for ion-scale microinstabilities in an LHD plasma with an ion-ITB and carbon "impurity hole" are used to make quasilinear estimates of particle flux to explore whether microturbulence can explain the observed outward carbon fluxes that flow "up" the impurity density gradient. The ion temperature is not stationary in the ion-ITB phase of the simulated discharge, during which the core carbon density decreases continuously. To fully sample these varying conditions the calculations are carried out at three radial locations and four times. The plasma parameter inputs are based on experimentally measured profiles of electron and ion temperature, as well as electron and carbon density. The spectroscopic line-average ratio of hydrogen and helium densities is used to set the density of these species. Three ion species (H,He,C) and the electrons are treated kinetically, including collisions. Electron instability drive does enhance the growth rate significantly, but the most unstable modes have characteristics of ion temperature gradient (ITG) modes in all cases. As the carbon density gradient is scanned between the measured value and zero, the quasilinear carbon flux is invariably inward when the carbon density profile is hollow, so turbulent transport due to the instabilities considered here does not explain the observed outward flux of impurities in impurity hole plasmas. The stiffness of the quasilinear ion heat flux is found to be 1.7-2.3, which is lower than several estimates in tokamaks.

  5. Solvent-dependent excited-state hydrogen transfer and intersystem crossing in 2-(2′-hydroxyphenyl)-benzothiazole

    KAUST Repository

    Aly, Shawkat Mohammede

    2015-02-12

    The excited-state intramolecular hydrogen transfer (ESIHT) of 2-(2′-hydroxyphenyl) benzothiazole (HBT) has been investigated in a series of nonpolar, polar aprotic, and polar protic solvents. A variety of state-of-the-art experimental methods were employed, including femto- and nanosecond transient absorption and fluorescence upconversion spectroscopy with broadband capabilities. We show that the dynamics and mechanism of ESIHT of the singlet excited HBT are strongly solvent-dependent. In nonpolar solvents, the data demonstrate that HBT molecules adopt a closed form stabilized by O-H⋯N chelated hydrogen bonds with no twisting angle, and the photoinduced H transfer occurs within 120 fs, leading to the formation of a keto tautomer. In polar solvents, owing to dipole-dipole cross talk and hydrogen bonding interactions, the H transfer process is followed by ultrafast nonradiative deactivation channels, including ultrafast internal conversion (IC) and intersystem crossing (ISC). This is likely to be driven by the twisting motion around the C-C bond between the hydroxyphenyl and thiazole moieties, facilitating the IC back to the enol ground state or to the keto triplet state. In addition, our femtosecond time-resolved fluorescence experiments indicate, for the first time, that the lifetime of the enol form in ACN is approximately 280 fs. This observation indicates that the solvent plays a crucial role in breaking the H bond and deactivating the excited state of the HBT. Interestingly, the broadband transient absorption and fluorescence up-conversion data clearly demonstrate that the intermolecular proton transfer from the excited HBT to the DMSO solvent is about 190 fs, forming the HBT anion excited state.

  6. Solvent-dependent excited-state hydrogen transfer and intersystem crossing in 2-(2′-hydroxyphenyl)-benzothiazole

    KAUST Repository

    Aly, Shawkat Mohammede; Usman, Anwar; Alzayer, Maytham; Hamdi, Ghada A.; Alarousu, Erkki; Mohammed, Omar F.

    2015-01-01

    The excited-state intramolecular hydrogen transfer (ESIHT) of 2-(2′-hydroxyphenyl) benzothiazole (HBT) has been investigated in a series of nonpolar, polar aprotic, and polar protic solvents. A variety of state-of-the-art experimental methods were employed, including femto- and nanosecond transient absorption and fluorescence upconversion spectroscopy with broadband capabilities. We show that the dynamics and mechanism of ESIHT of the singlet excited HBT are strongly solvent-dependent. In nonpolar solvents, the data demonstrate that HBT molecules adopt a closed form stabilized by O-H⋯N chelated hydrogen bonds with no twisting angle, and the photoinduced H transfer occurs within 120 fs, leading to the formation of a keto tautomer. In polar solvents, owing to dipole-dipole cross talk and hydrogen bonding interactions, the H transfer process is followed by ultrafast nonradiative deactivation channels, including ultrafast internal conversion (IC) and intersystem crossing (ISC). This is likely to be driven by the twisting motion around the C-C bond between the hydroxyphenyl and thiazole moieties, facilitating the IC back to the enol ground state or to the keto triplet state. In addition, our femtosecond time-resolved fluorescence experiments indicate, for the first time, that the lifetime of the enol form in ACN is approximately 280 fs. This observation indicates that the solvent plays a crucial role in breaking the H bond and deactivating the excited state of the HBT. Interestingly, the broadband transient absorption and fluorescence up-conversion data clearly demonstrate that the intermolecular proton transfer from the excited HBT to the DMSO solvent is about 190 fs, forming the HBT anion excited state.

  7. Current state of the construction of an integrated test facility for hydrogen risk

    Energy Technology Data Exchange (ETDEWEB)

    Na, Young Su; Hong, Seong-Ho; Hong, Seong-Wan [KAERI, Daejeon (Korea, Republic of)

    2015-05-15

    Experimental research on hydrogen as a combustible gas is important for an assessment of the integrity of a containment building under a severe accident. The Korea Atomic Energy Research Institute (KAERI) is preparing a large-scaled test facility, called SPARC (SPray-Aerosol-Recombiner-Combustion), to estimate the hydrogen behavior such as the distribution, combustion and mitigation. This paper introduces the experimental research activity on hydrogen risk, which was presented at International Congress on Advances in Nuclear Power Plants (ICAPP) this year. The KAERI is preparing a test facility, called SPARC (SPray-Aerosol-Recombiner-Combustion test facility), for an assessment of the hydrogen risk. In the SPARC, hydrogen behavior such as mixing with steam and air, distribution, and combustion in the containment atmosphere will be observed. The SPARC consists of a pressure vessel with a 9.5 m height and 3.4 m in diameter and the operating system to control the thermal hydraulic conditions up to 1.5 MPa at 453 K in a vessel. The temperature, pressure, and gas concentration at various locations will be measured to estimate the atmospheric behavior in a vessel. To install the SPARC, an experimental building, called LIFE (Laboratory for Innovative mitigation of threats from Fission products and Explosion), was constructed at the KAERI site. LIFE has an area of 480 m''2 and height of 18.6 m, and it was designed by considering the experimental safety and specification of a large-sized test facility.

  8. Evaluation of Thermodynamic Models for Predicting Phase Equilibria of CO2 + Impurity Binary Mixture

    Science.gov (United States)

    Shin, Byeong Soo; Rho, Won Gu; You, Seong-Sik; Kang, Jeong Won; Lee, Chul Soo

    2018-03-01

    For the design and operation of CO2 capture and storage (CCS) processes, equation of state (EoS) models are used for phase equilibrium calculations. Reliability of an EoS model plays a crucial role, and many variations of EoS models have been reported and continue to be published. The prediction of phase equilibria for CO2 mixtures containing SO2, N2, NO, H2, O2, CH4, H2S, Ar, and H2O is important for CO2 transportation because the captured gas normally contains small amounts of impurities even though it is purified in advance. For the design of pipelines in deep sea or arctic conditions, flow assurance and safety are considered priority issues, and highly reliable calculations are required. In this work, predictive Soave-Redlich-Kwong, cubic plus association, Groupe Européen de Recherches Gazières (GERG-2008), perturbed-chain statistical associating fluid theory, and non-random lattice fluids hydrogen bond EoS models were compared regarding performance in calculating phase equilibria of CO2-impurity binary mixtures and with the collected literature data. No single EoS could cover the entire range of systems considered in this study. Weaknesses and strong points of each EoS model were analyzed, and recommendations are given as guidelines for safe design and operation of CCS processes.

  9. Impurity doping processes in silicon

    CERN Document Server

    Wang, FFY

    1981-01-01

    This book introduces to non-experts several important processes of impurity doping in silicon and goes on to discuss the methods of determination of the concentration of dopants in silicon. The conventional method used is the discussion process, but, since it has been sufficiently covered in many texts, this work describes the double-diffusion method.

  10. Tokamak impurity-control techniques

    International Nuclear Information System (INIS)

    Schmidt, J.A.

    1980-01-01

    A brief review is given of the impurity-control functions in tokamaks, their relative merits and disadvantages and some prominent edge-interaction-control techniques, and there is a discussion of a new proposal, the particle scraper, and its potential advantages. (author)

  11. Nonmagnetic impurities in magnetic superconductors

    International Nuclear Information System (INIS)

    Mineev, V.P.

    1989-01-01

    The magnetization and magnetic field arising around the nonmagnetic impurity in magnetic superconductor with triplet pairing are found. The relationship of these results with the data of recent (gm)sR experiments in heavy fermionic superconductor U 1 - x Th x Be 13 is presented

  12. Dynamics of an impurity in a one-dimensional lattice

    International Nuclear Information System (INIS)

    Massel, F; Kantian, A; Giamarchi, T; Daley, A J; Törmä, P

    2013-01-01

    We study the non-equilibrium dynamics of an impurity in a harmonic trap that is kicked with a well-defined quasi-momentum, and interacts with a bath of free fermions or interacting bosons in a one-dimensional lattice configuration. Using numerical and analytical techniques we investigate the full dynamics beyond linear response, which allows us to quantitatively characterize states of the impurity in the bath for different parameter regimes. These vary from a tightly bound molecular state in a strongly interacting limit to a polaron (dressed impurity) and a free particle for weak interactions, with composite behaviour in the intermediate regime. These dynamics and different parameter regimes should be readily realizable in systems of cold atoms in optical lattices. (paper)

  13. Quenching of overcompensated Kondo impurities via channel asymmetry

    International Nuclear Information System (INIS)

    Schlottmann, P.; Lee, K.

    1996-01-01

    We consider a spin-1/2 impurity interacting with conduction electrons in two different orbital channels via an isotropic spin exchange. The exchange is the same for both channels, but a crystalline field breaks the symmetry between the orbital channels. This corresponds to a splitting of the conduction electron Γ 8 into two doublets in the quadrupolar Kondo effect and to the application of an external magnetic field in the electron assisted tunneling of an atom in a double-well potential. We study the ground-state properties of the impurity as a function of the magnetic and crystalline fields. The crystalline field quenches the critical behavior of the overcompensated fixed point: The impurity ground state is a singlet. (orig.)

  14. A crystalline cluster method for deep impurities in insulators

    International Nuclear Information System (INIS)

    Guimaraes, P.S.

    1983-01-01

    An 'ab initio' self-consistent-field crystalline-cluster approach to the study of deep impurity states in insulators is proposed. It is shown that, in spite of being a cluster calculation, the interaction of the impurity with the crystal environment is fully taken into account. It is also shown that the present representation of the impurity states is, at least, as precise as the crystalline cluster representation of the pure crystal electronic structure. The procedure has been tested by performing the calculation of the electronic structure of the U center in a sodium chloride crystal, and it has been observed that the calculated GAMMA 1 - GAMMA 15 absorption energy is in good agreement with experiment. (Author) [pt

  15. A crystalline cluster method for deep impurities in insulators

    International Nuclear Information System (INIS)

    Guimaraes, P.S.

    1983-01-01

    An ''ab initio'' self-consistent-field crysttalline-cluster approach to the study of deep impurity states in insulators is proposed. It is shown that, in spite of being a cluster calculation, the interaction of the impurity with the crystal environment is fully taken into account. It is also shown that the present representation of the impurity states is, at least, as precise as the crystalline cluster representation of the pure crystal electronic structure. The procedure has been tested by performing the calculation of the electronic structure of the U center in a sodium chloride crystal, and it has been observed that the calculated γ 1 - γ 15 absorption energy is in good agreement with experiment. (author) [pt

  16. Analysis of the effect of polarization traps and shallow impurities on the interlevel light absorption of quantum dots

    Directory of Open Access Journals (Sweden)

    V.I. Boichuk

    2017-12-01

    Full Text Available A spherical quantum dot (QD heterosystem CdS/SiO2 has been studied. Each QD has a hydrogen-like impurity in its center. Besides that, it has been accounted that a polarization trap for electron exists at the interfaces due to the difference between the QD and matrix dielectric permittivity. It has been defined that for small QD radii there are surface electron states. For different radii, partial contributions of the surface states into the electron energy caused by the electron-ion and electron-polarization charges interaction have been defined. The linear light absorption coefficient of noninteracting QDs has been calculated taking into account the QD dispersion by the size. It is shown that the surface states can be observed into different ranges of an electromagnetic spectrum.

  17. Neutron spectroscopy of fast hydrogen diffusion in BCC transition metals

    International Nuclear Information System (INIS)

    Richter, D.; Lottner, V.

    1979-01-01

    Quasielastic neutron scattering reveals microscopic details of both the time and space development of the H-diffusion process on an atomic scale. After outlining the method on the example of PdH/sub x/, new results on the jump geometry in bcc metals are surveyed. In particular, the anomalous diffusion behavior of H in Nb, Ta, and V at elevated temperature is emphasized, where correlated jump processes are important. The influence of impurities on the H-diffusion process is demonstrated by experiments performed on NbH/sub x/ doped with nitrogen impurities, which act as trapping centers for the diffusing hydrogen. The results are discussed in terms of a two-state random walk model which includes multiple trapping and detrapping processes. The concentration and temperature dependence of the capture and escape rates of traps are obtained

  18. A one-dimensional plasma and impurity transport model for reversed field pinches

    International Nuclear Information System (INIS)

    Veerasingam, R.

    1991-11-01

    In this thesis a one-dimensional (1-D) plasma and impurity transport model is developed to address issues related to impurity behavior in Reversed Field Pinch (RFP) fusion plasmas. A coronal non-equilibrium model is used for impurities. The impurity model is incorporated into an existing one dimensional plasma transport model creating a multi-species plasma transport model which treats the plasma and impurity evolution self-consistently. Neutral deuterium particles are treated using a one-dimensional (slab) model of neutral transport. The resulting mode, RFPBI, is then applied to existing RFP devices such as ZT-40M and MST, and also to examine steady state behavior of ZTH based on the design parameters. A parallel algorithm for the impurity transport equations is implemented and tested to determine speedup and efficiency

  19. Solid-state amorphization of SmFe{sub 3} by hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, K.H.; Kubis, M.; Handstein, A.; Gutfleisch, O.

    2000-05-10

    Hydrogen-induced amorphization (HIA) has received much attention as a method for the preparation of amorphous compounds since its discovery by Yeh et al. Meanwhile it has been observed for a large number of intermetallic compounds with C15, C23, B8{sub 2}, DO{sub 19} and L1{sub 2} structures. E.G. the C15 Laves-type compounds (MgCu{sub 2}-type structure) of rare earth (R) - transition metal (T) compounds RT{sub 2} show HIA for R = Y, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho and Er. Aoki et al. postulated that new amorphizing compounds can be expected at high hydrogen pressures. In this work, the structural changes of SmFe{sub 3} (PuNi{sub 3}-type structure) during heating in high hydrogen pressures are reported.

  20. Solid-state amorphization of SmFe3 by hydrogenation

    International Nuclear Information System (INIS)

    Mueller, K.H.; Kubis, M.; Handstein, A.; Gutfleisch, O.

    2000-01-01

    Hydrogen-induced amorphization (HIA) has received much attention as a method for the preparation of amorphous compounds since its discovery by Yeh et al. Meanwhile it has been observed for a large number of intermetallic compounds with C15, C23, B8 2 , DO 19 and L1 2 structures. E.G. the C15 Laves-type compounds (MgCu 2 -type structure) of rare earth (R) - transition metal (T) compounds RT 2 show HIA for R = Y, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho and Er. Aoki et al. postulated that new amorphizing compounds can be expected at high hydrogen pressures. In this work, the structural changes of SmFe 3 (PuNi 3 -type structure) during heating in high hydrogen pressures are reported

  1. Numerical analysis on the ion species ratios in a steady state hydrogen plasma

    International Nuclear Information System (INIS)

    Fukumasa, Osamu; Saeki, Setsuo; Osaki, Katashi; Sakiyama, Satoshi; Itatani, Ryohei.

    1984-07-01

    Ion species ratios in a hydrogen plasma are calculated systematically as a function of plasma parameters, i.e. the electron density, the electron temperature, the pressure of hydrogen gas and the plasma volume. Furthermore, in the present analysis, the recombination factor for hydrogen atoms at the wall surface of a vacuum vessel is treated as another plasma parameter. The most significant point is that ion species ratios depend strongly not only on plasma parameters, but also on the recombination factor. The proton ratio increases with decreasing value of the recombination factor. Primary electrons also play an important role for ion species ratios, and the presence of primary electrons causes the proton ratio to decrease. (author)

  2. The effect of impurities on the electronic properties of MgO

    Energy Technology Data Exchange (ETDEWEB)

    Jalili, Seifollah [Department of Chemistry, K.N. Toosi University of Technology, P.O. Box 16315-1618, Tehran (Iran, Islamic Republic of); Computational Physical Sciences Research Laboratory, Department of Nano-Science, Institute for Studies in Theoretical Physics and Mathematics (IPM), P.O. Box 19395-5531, Tehran (Iran, Islamic Republic of)], E-mail: sjalili@nano.ipm.ac.ir; Majidi, Roya [Department of Physics, Shahid Beheshti University, Tehran (Iran, Islamic Republic of)

    2008-10-01

    The effect of impurities on the electronic properties of MgO is investigated using the full potential linearized augmented plane-wave plus local-orbitals method based on density functional theory. The electronic band structures and density of states of MgO in the presence of Ca, Li, and Na impurities were calculated. It is found that increasing the amount of Ca impurity decreases the energy band gap and increases the width of the upper part of the valence band. Some of the considered impurities (Li and Na) change the electronic properties of MgO extensively.

  3. The effect of impurities on the electronic properties of MgO

    International Nuclear Information System (INIS)

    Jalili, Seifollah; Majidi, Roya

    2008-01-01

    The effect of impurities on the electronic properties of MgO is investigated using the full potential linearized augmented plane-wave plus local-orbitals method based on density functional theory. The electronic band structures and density of states of MgO in the presence of Ca, Li, and Na impurities were calculated. It is found that increasing the amount of Ca impurity decreases the energy band gap and increases the width of the upper part of the valence band. Some of the considered impurities (Li and Na) change the electronic properties of MgO extensively

  4. Impurity Deionization Effects on Surface Recombination DC Current-Voltage Characteristics in MOS Transistors

    International Nuclear Information System (INIS)

    Chen Zuhui; Jie Binbin; Sah Chihtang

    2010-01-01

    Impurity deionization on the direct-current current-voltage characteristics from electron-hole recombination (R-DCIV) at SiO 2 /Si interface traps in MOS transistors is analyzed using the steady-state Shockley-Read-Hall recombination kinetics and the Fermi distributions for electrons and holes. Insignificant distortion is observed over 90% of the bell-shaped R-DCIV curves centered at their peaks when impurity deionization is excluded in the theory. This is due to negligible impurity deionization because of the much lower electron and hole concentrations at the interface than the impurity concentration in the 90% range. (invited papers)

  5. Light impurity production in tokamaks

    International Nuclear Information System (INIS)

    Philipps, V.; Vietzke, E.; Erdweg, M.

    1989-01-01

    A review is given of the different erosion processes of carbon materials with special emphasis on conditions relevant to plasma surface interactions. New results on the chemical erosion and radiation enhanced sublimation of boron-carbon layers are presented. The chemical hydrocarbon formation produced by the interaction of the TEXTOR scrape-off plasma with a carbon target has been investigated up to temperatures of 1500K using a Sniffer probe. The chemical interaction of the plasma with the carbon walls in TEXTOR is also analysed by measuring the hydrocarbon and CO and CO 2 partial pressures built up on the surrounding walls during the discharges. The recycling of oxygen impurities in an all carbon surrounding occurs predominantly in the form of CO and Co 2 molecules and the analysis of both neutral pressures during the discharges has been used as an additional diagnostic for the oxygen impurity situation in TEXTOR. These data are discussed in view of spectroscopic measurements on the influx of carbon and oxygen atoms from the walls and impurity line radiation. CD-band spectroscopy in addition is employed to identify the hydrocarbon chemical carbon erosion. Our present understanding of the oxygen impurity recycling and the oxygen sources are described. Particle induced release of CO molecules from the entire first wall is believed to be the dominant influx process of oxygen in the SOL of plasmas with carbon facing materials. The influence of coating the TEXTOR first wall with a boron-carbon film (B/C ≅1) on the light impurity behaviour is shown. (author)

  6. Hydrogen isotopic messages in sulfate reducer lipids: a recorder of metabolic state?

    Science.gov (United States)

    Bradley, A. S.; Leavitt, W.; Zhou, A.; Cobban, A.; Suess, M.

    2017-12-01

    A significant range in microbial lipid 2H/1H ratios is observed in modern marine sediments. The magnitude of hydrogen isotope fractionation between microbial lipids and growth water (2ɛlipid-H2O) is hypothesized to relate to the central carbon and energy metabolism. These observations raise the possibility for culture independent identification of the dominant metabolic pathways operating in a given environment [Zhang et al. 2009]. One such metabolism we aim to track is microbial sulfate reduction. To-date, sulfate reducing bacteria have been observed to produce lipids that are depleted in fatty acid H-isotope composition, relative to growth water (2ɛlipid-H2O -50 to -175 ‰) [Campbell et al. 2009; Dawson et al. 2015; Osburn et al.], with recent work demonstrating a systematic relationship between lipid/water fractionation and growth rate when the electron-bifurcating NAD(P)(H) transhydrogenase (ebTH) activity was disrupted and the available electron requires the ebTH [Leavitt et al. 2016. Front Microbio]. Recent work in aerobic methylotrophs [Bradley et al. 2014. AGU] implicates non-bifurcating NAD(P)(H) transhydrogenase activity is a critical control on 2ɛlipid-H2O. This suggests a specific mechanism to control the range in fractionation is the ratio of intracellular NADPH/NADH/NADP/NAD in aerobes and perhaps the same in anaerobes with some consideration for FADH/FAD. Fundamentally this implies 2ɛlipid-H2O records intracellular redox state. In our sulfate reducer model system Desulfovibrio alaskensis strain G20 a key component of energy metabolism is the activity of ebTH. Nonetheless, this strain contains two independent copies of the genes, only one of which generates a distinctive isotopic phenotype [Leavitt et al. 2016. Front Microbio]. In this study we extend the recent work in G20 to continuous culture experiments comparing WT to nfnAB-2 transposon interruptions, where both organisms are cultivated continuously, at the rate of the slower growing mutant

  7. New HOPE Pilot TM workshops in New York State : lessons learned in hydrogen education and teacher training

    Energy Technology Data Exchange (ETDEWEB)

    De Valladares, M.R. [M.R.S. Enterprises LLC, Bethesda, MD (United States)

    2009-07-01

    More than 300 New York State high school science and technology teachers participated at the New HOPE (Hydrogen Outreach Program for Education) workshops hosted by New York Energy Research Development Authority (NYSERDA), New York Power Authority (NYPA) and the Long Island Power Authority (LIPA). These teachers will impact approximately 150,000 students over the next 5 years. The teacher training was provided by M.R.S. Enterprises, LLC and its HOPE team. The workshops featured hands-on activities, such as construction of a fuel cell vehicle from everyday materials. Workshop topics ranged from hydrogen production, storage, distribution and utilization, and fuel cells. Teachers received the New HOPE Pilot TM, a user friendly curriculum with lesson plans along with 2 kits, namely a fuel cell and car chassis kit, and a HOPEMobileTM materials kit with which to continue the design and engineering process in the classroom.

  8. Numerical simulation of the effect of hydrogen on recombination gain in the transition to ground state of Li III

    International Nuclear Information System (INIS)

    Avitzour, Yoav; Suckewer, Szymon

    2006-01-01

    Numerical simulations of recombination gain in the Li III transition to ground state (2→1 at 13.5 nm) are presented. The plasma simulated is a mixture of Li and H ions, and the space-time-dependent gain coefficient is calculated for different mixing ratios and different pumping beam parameters. The numerical model includes the initial optical field ionization of the plasma by an intense 100 fs laser pulse, taking into account residual heating, particle collisions, and spatial effects. Gain is then calculated during the process of recombination as the plasma expands and cools. We show that the addition of hydrogen to the plasma can lead to higher gain with a less restrictive range of experimental parameters. We analyze the effects of the addition of hydrogen on the gain and point to the optimal plasma and pump parameters to produce gain

  9. Monte-Carlo Impurity transport simulations in the edge of the DIII-D tokamak using the MCI code

    International Nuclear Information System (INIS)

    Evans, T.E.; Mahdavi, M.A.; Sager, G.T.; West, W.P.; Fenstermacher, M.E.; Meyer, W.H.; Porter, G.D.

    1995-07-01

    A Monte-Carlo Impurity (MCI) transport code is used to follow trace impurities through multiple ionization states in realistic 2-D tokamak geometries. The MCI code is used to study impurity transport along the open magnetic field lines of the Scrape-off Layer (SOL) and to understand how impurities get into the core from the SOL. An MCI study concentrating on the entrainment of carbon impurities ions by deuterium background plasma into the DIII-D divertor is discussed. MCI simulation results are compared to experimental DIII-D carbon measurements

  10. Monte-Carlo Impurity transport simulations in the edge of the DIII-D tokamak using the MCI code

    International Nuclear Information System (INIS)

    Evans, T.E.; Sager, G.T.; Mahdavi, M.A.; Porter, G.D.; Fenstermacher, M.E.; Meyer, W.H.

    1995-01-01

    A Monte-Carlo Impurity (MCI) transport code is used to follow trace impurities through multiple ionization states in realistic 2-D tokamak geometries. The MCI code is used to study impurity transport along the open magnetic field lines of the Scrape-off Layer (SOL) and to understand how impurities get into the core from the SOL. An MCI study concentrating on the entrainment of carbon impurities ions by deuterium background plasma into the DII-D divertor is discussed. MCI simulation results are compared to experimental DII-D carbon measurements. 2 refs

  11. Impurity studies and discharge cleaning in Doublet III

    International Nuclear Information System (INIS)

    Marcus, F.B.

    1979-10-01

    The goal of present and next generation tokamak experiments is to produce high-density, high-purity plasmas during high-power, extended-duration discharges. Plasma discharges with Z/sub eff/ values near unity and low concentrations of medium and high-Z metallic impurities have been obtained in Doublet III using a combination of low-power hydrogen discharge cleaning, gas puffing, precise plasma shape and position control, and high-Z limiters. Analysis of the first wall surface and residual gas impurities confirmed that clean conditions have been achieved. The high-Z limiters showed very limited amounts of melting or arcing. The progress of the wall cleaning process was monitored by three diagnostic techniques: Auger electron spectroscopy of metallic samples at the vessel wall, residual gas analysis, and the resistivity of full power discharges

  12. Impurity studies and discharge cleaning in Doublet III

    Energy Technology Data Exchange (ETDEWEB)

    Marcus, F.B.

    1979-10-01

    The goal of present and next generation tokamak experiments is to produce high-density, high-purity plasmas during high-power, extended-duration discharges. Plasma discharges with Z/sub eff/ values near unity and low concentrations of medium and high-Z metallic impurities have been obtained in Doublet III using a combination of low-power hydrogen discharge cleaning, gas puffing, precise plasma shape and position control, and high-Z limiters. Analysis of the first wall surface and residual gas impurities confirmed that clean conditions have been achieved. The high-Z limiters showed very limited amounts of melting or arcing. The progress of the wall cleaning process was monitored by three diagnostic techniques: Auger electron spectroscopy of metallic samples at the vessel wall, residual gas analysis, and the resistivity of full power discharges.

  13. Solubility of hydrogen in delta iron

    International Nuclear Information System (INIS)

    Shapovalov, V.I.; Trofimenko, V.V.

    1979-01-01

    The solubility of hydrogen in iron (less than 0.002 % impurities) at temperatures of 800-1510 deg C and a pressure of 100 atm was measured. The heat of solution of hydrogen in delta-Fe, equal to 73 kJ/g-atom, is by far greater than the corresponding values for α- and γ-Fe

  14. Existence of a ground state for the confined hydrogen atom in non-relativistic QED

    DEFF Research Database (Denmark)

    Amour, Laurent; Faupin, Jeremy

    2008-01-01

    We consider a system of a hydrogen atom interacting with the quantized electromagnetic field. Instead of fixing the nucleus, we assume that the system is confined by its center of mass. This model is used in theoretical physics to explain the Lamb-Dicke effect. After a brief review of the literat...

  15. Experimental studies of equation of gases state for hydrogen and deuterium

    International Nuclear Information System (INIS)

    Jiang Guoqiang; Lu Guangda

    1992-11-01

    The low order Virial coefficient and compression factors of hydrogen, deuterium and the mixtures of both materials were experimentally determined by using Burnett method at the normal temperature and the pressure of 0.5 to 40 MPa. Comparing the results obtained with the data in references, the relative error of compression factor is less than 0.2%

  16. Zeroth order phase transition in a holographic superconductor with single impurity

    NARCIS (Netherlands)

    Zeng, Hua Bi; Zhang, Hai-Qing

    We investigate the single normal impurity effect in a superconductor by the holographic method. When the size of impurity is much smaller than the host superconductor, we can reproduce the Anderson theorem, which states that a conventional s-wave superconductor is robust to a normal (non-magnetic)

  17. Photoelectron emission yield experiments on evolution of sub-gap states in amorphous In-Ga-Zn-O thin films with post deposition hydrogen treatment

    International Nuclear Information System (INIS)

    Hayashi, Kazushi; Hino, Aya; Tao, Hiroaki; Ochi, Mototaka; Goto, Hiroshi; Kugimiya, Toshihiro

    2015-01-01

    Total photoyield emission spectroscopy (TPYS) was applied to study the evolution of sub-gap states in hydrogen-treated amorphous In-Ga-Zn-O (a-IGZO) thin films. The a-IGZO thin films were subjected to hydrogen radicals and subsequently annealed in ultra-high vacuum (UHV) conditions. A clear onset of the electron emission was observed at around 4.3 eV from the hydrogen-treated a-IGZO thin films. After successive UHV annealing at 300 °C, the onset in the TPYS spectra was shifted to 4.15 eV, and the photoelectron emission from the sub-gap states was decreased as the annealing temperature was increased. In conjunction with the results of thermal desorption spectrometer, it was deduced that the hydrogen atoms incorporated in the a-IGZO thin films induced metastable sub-gap states at around 4.3 eV from vacuum level just after the hydrogenation. It was also suggested that the defect configuration was changed due to the higher temperature UHV annealing, and that the hydrogen atoms desorbed with the involvement of Zn atoms. These experiments produced direct evidence to show the formation of sub-gap states as a result of hydrogen incorporation into the a-IGZO thin films

  18. Photoelectron emission yield experiments on evolution of sub-gap states in amorphous In-Ga-Zn-O thin films with post deposition hydrogen treatment

    Energy Technology Data Exchange (ETDEWEB)

    Hayashi, Kazushi, E-mail: hayashi.kazushi@kobelco.com; Hino, Aya; Tao, Hiroaki; Ochi, Mototaka; Goto, Hiroshi; Kugimiya, Toshihiro [Electronics Research Laboratory, Kobe Steel, Ltd., 1-5-5 Takatsuka-dai, Nishi-ku, Kobe 651-2271 (Japan)

    2015-09-14

    Total photoyield emission spectroscopy (TPYS) was applied to study the evolution of sub-gap states in hydrogen-treated amorphous In-Ga-Zn-O (a-IGZO) thin films. The a-IGZO thin films were subjected to hydrogen radicals and subsequently annealed in ultra-high vacuum (UHV) conditions. A clear onset of the electron emission was observed at around 4.3 eV from the hydrogen-treated a-IGZO thin films. After successive UHV annealing at 300 °C, the onset in the TPYS spectra was shifted to 4.15 eV, and the photoelectron emission from the sub-gap states was decreased as the annealing temperature was increased. In conjunction with the results of thermal desorption spectrometer, it was deduced that the hydrogen atoms incorporated in the a-IGZO thin films induced metastable sub-gap states at around 4.3 eV from vacuum level just after the hydrogenation. It was also suggested that the defect configuration was changed due to the higher temperature UHV annealing, and that the hydrogen atoms desorbed with the involvement of Zn atoms. These experiments produced direct evidence to show the formation of sub-gap states as a result of hydrogen incorporation into the a-IGZO thin films.

  19. Electromigration of hydrogen in zircaloy-2

    International Nuclear Information System (INIS)

    Parmeswaran, P.; Kamachi Mudali, U.; Raghunathan, V.S.; Govinda Rajan, K.

    1989-01-01

    Electromigration is a purification technique for removing interstitial impurities from metals like Zr, Ti and Nb. It uses an electric field to induce migration of atoms from one end to other. This paper describes an attempt to purify zircaloy-2 of its hydrogen content by this technique. Resistivity measurement has been used to evaluate the change in impurity concentration that occurs during the process. Results indicate the movement of hydrogen atoms towards the cathode end. The value of the effective charge number, Z * , calculated from the results confirms hydrogen migration to the cathode aided by a positive wind force. (author). 6 refs., 5 figs

  20. Observation of impurity accumulation and concurrent impurity influx in PBX

    International Nuclear Information System (INIS)

    Sesnic, S.S.; Fonck, R.J.; Ida, K.; Couture, P.; Kaita, R.; Kaye, S.; Kugel, H.; LeBlanc, B.; Okabayashi, M.; Paul, S.; Powell, E.T.; Reusch, M.; Takahashi, H.; Gammel, G.; Morris, W.

    1987-01-01

    Impurity studies in L- and H-mode discharges in PBX have shown that both types of discharges can evolve into either an impurity accumulative or nonaccumulative case. In a typical accumulative discharge, Z eff peaks in the center to values of about 5. The central metallic densities can be high, n met /n e ≅ 0.01, resulting in central radiated power densities in excess of 1 W/cm 3 , consistent with bolometric estimates. The radial profiles of metals obtained independently from the line radiation in the soft X-ray and the VUV regions are very peaked. Concurrent with the peaking, an increase in the impurity influx coming from the edge of the plasma is observed. At the beginning of the accumulation phase the inward particle flux for titanium has values of 6x10 10 and 10x10 10 particles/cm 2 s at minor radii of 6 and 17 cm. At the end of the accumulation phase, this particle flux is strongly increased to values of 3x10 12 and 1x10 12 particles/cm 2 s. This increased flux is mainly due to influx from the edge of the plasma and to a lesser extent due to increased convective transport. Using the measured particle flux, an estimate of the diffusion coefficient D and the convective velocity v is obtained. (orig.)

  1. Photoionization cross-section of donor impurities in spherical GaAs quantum dots: hydrostatic pressure effects

    International Nuclear Information System (INIS)

    Correa, J.D.; Duque, C.A.; Porras-Montenegro, N.

    2004-01-01

    Full text: Using a variational procedure for a hydrogenic donor-impurity we have calculated the photoionization cross-section in spherical GaAs quantum dots. We discuss the dependence on the photoionization cross-section for hydrogenic donor impurity in in nite and nite barrier quantum dots as a function of the size of the dot, impurity position, polarization of the photon, applied hydrostatic pressure, and normalized photon energy. For the nite case, calculations for the pressure effects are both in direct and indirect GaAsAl gap regime. We have considered the different transition rules that depend of the impurity position and photon polarization. Calculations are presented for impurity on-center, and o -center in the spherical quantum dots. We found that the photoionization cross-section increases with the applied hydrostatic pressure both for on-center and o - center impurities. The photoionization cross-section increases or decreases depending of the impurity position, photon polarization, and radius of dots. Also we have showed that the photoionization cross-section decreases as the normalized photon energy increases. The results we have obtained show that the photoionization cross- section is strongly a effected by the quantum dot size, and the position of the impurity. The measurement of photoionization in such systems would be of great interest in understanding the optical properties of carriers in quantum dots. (author)

  2. Radiated Power and Impurity Concentrations in the EXTRAP-T2R Reversed-Field Pinch

    Science.gov (United States)

    Corre, Y.; Rachlew, E.; Cecconello, M.; Gravestijn, R. M.; Hedqvist, A.; Pégourié, B.; Schunke, B.; Stancalie, V.

    2005-01-01

    A numerical and experimental study of the impurity concentration and radiation in the EXTRAP-T2R device is reported. The experimental setup consists of an 8-chord bolometer system providing the plasma radiated power and a vacuum-ultraviolet spectrometer providing information on the plasma impurity content. The plasma emissivity profile as measured by the bolometric system is peaked in the plasma centre. A one dimensional Onion Skin Collisional-Radiative model (OSCR) has been developed to compute the density and radiation distributions of the main impurities. The observed centrally peaked emissivity profile can be reproduced by OSCR simulations only if finite particle confinement time and charge-exchange processes between plasma impurities and neutral hydrogen are taken into account. The neutral hydrogen density profile is computed with a recycling code. Simulations show that recycling on metal first wall such as in EXTRAP-T2R (stainless steel vacuum vessel and molybdenum limiters) is compatible with a rather high neutral hydrogen density in the plasma centre. Assuming an impurity concentration of 10% for oxygen and 3% for carbon compared with the electron density, the OSCR calculation including lines and continuum emission reproduces about 60% of the total radiated power with a similarly centrally peaked emissivity profile. The centrally peaked emissivity profile is due to low ionisation stages and strongly radiating species in the plasma core, mainly O4+ (Be-like) and C3+ Li-like.

  3. Radiated Power and Impurity Concentrations in the EXTRAP-T2R Reversed-Field Pinch

    International Nuclear Information System (INIS)

    Corre, Y.; Rachlew, E.; Gravestijn, R.M.; Hedqvist, A.; Stancalie, V.

    2005-01-01

    A numerical and experimental study of the impurity concentration and radiation in the EXTRAP-T2R device is reported. The experimental setup consists of an 8-chord bolometer system providing the plasma radiated power and a vacuum ultraviolet spectrometer providing information on the plasma impurity content. The plasma emissivity profile as measured by the bolometric system is peaked in the plasma centre. A one dimensional Onion Skin Collisional-Radiative model (OSCR) has been developed to compute the density and radiation distributions of the main impurities. The observed centrally peaked emissivity profile can be reproduced by OSCR simulations only if finite particle confinement time and charge-exchange processes between plasma impurities and neutral hydrogen are taken into account. The neutral hydrogen density profile is computed with a recycling code. Simulations show that recycling on metal first wall such as in EXTRAP-T2R (stainless steel vacuum vessel and molybdenum limiters) is compatible with a rather high neutral hydrogen density in the plasma centre. Assuming an impurity concentration of 10% for oxygen and 3% for carbon compared with the electron density, the OSCR calculation including lines and continuum emission reproduces about 60% of the total radiated power with a similarly centrally peaked emissivity profile. The centrally peaked emissivity profile is due to low ionisation stages and strongly radiating species in the plasma core, mainly O 4+ (Be-like) and C 3+ (Li-like)

  4. Local measurement of transport parameters for laser injected trace impurities

    Energy Technology Data Exchange (ETDEWEB)

    Giannella, R; Lauro-Taroni, L [Commission of the European Communities, Abingdon (United Kingdom). JET Joint Undertaking

    1994-07-01

    A procedure has been developed that determines local measurements of transport parameters`s profiles for injected impurities. The measured profiles extend from the plasma centre up to a certain radial position (usually {rho} = 0.6-0.7). In the outer region of the plasma the procedure supplies ``most suitable extensions`` up to the plasma edge of the measured transport profiles. The procedure intrinsically assures consistency and excellent agreement between the simulated and experimental data of local broad band soft X-ray emissivity and intensities of individual emission lines from different ion states of the injected impurities. 4 refs., 3 figs.

  5. Flat panel display - Impurity doping technology for flat panel displays

    Energy Technology Data Exchange (ETDEWEB)

    Suzuki, Toshiharu [Advanced Technology Planning, Sumitomo Eaton Nova Corporation, SBS Tower 9F, 10-1, Yoga 4-chome, Setagaya-ku, 158-0097 Tokyo (Japan)]. E-mail: suzuki_tsh@senova.co.jp

    2005-08-01

    Features of the flat panel displays (FPDs) such as liquid crystal display (LCD) and organic light emitting diode (OLED) display, etc. using low temperature poly-Si (LTPS) thin film transistors (TFTs) are briefly reviewed comparing with other FPDs. The requirements for fabricating TFTs used for high performance FPDs and system on glass (SoG) are addressed. This paper focuses on the impurity doping technology, which is one of the key technologies together with crystallization by laser annealing, formation of high quality gate insulator and gate-insulator/poly-Si interface. The issues to be solved in impurity doping technology for state of the art and future TFTs are clarified.

  6. Flat panel display - Impurity doping technology for flat panel displays

    International Nuclear Information System (INIS)

    Suzuki, Toshiharu

    2005-01-01

    Features of the flat panel displays (FPDs) such as liquid crystal display (LCD) and organic light emitting diode (OLED) display, etc. using low temperature poly-Si (LTPS) thin film transistors (TFTs) are briefly reviewed comparing with other FPDs. The requirements for fabricating TFTs used for high performance FPDs and system on glass (SoG) are addressed. This paper focuses on the impurity doping technology, which is one of the key technologies together with crystallization by laser annealing, formation of high quality gate insulator and gate-insulator/poly-Si interface. The issues to be solved in impurity doping technology for state of the art and future TFTs are clarified

  7. Behavior of arsenic impurity at antimony electric precipitation

    International Nuclear Information System (INIS)

    Kim, G.N.; Rakhmanov, A.

    2001-01-01

    In the paper the arsenic impurity electrochemical behavior and it purification from antimony by electric precipitation out of fluoride solutions was studied. For this the arsenic sample with mass 0.003-0.006 g has been irradiated at the WWR-SM nuclear reactor during 3-5 hour in the thermal neutron flux 10 13 n/cm 2 s, after 24 h keeping the sample has being dissolved in the concentrated nitric acid, and then it has been evaporated several times with distillation water addition up to wet precipitation state. It is shown, that arsenic impurity behavior character in the antimony electric precipitation out to fluoride electrolyte depends on the electrolyte content, electrolysis conditions, arsenic valency state in arsenic impurity existence in the five-valency state its joint electric reduction with antimony is practically not observing. In the case the arsenic being in three-valency state, it joint electric reduction with antimony is taking place. In this time the electrolytic antimony contents arsenic impurities less in dozen time than initial material

  8. Long Range Forces between Atomic Impurities in Liquid Helium

    International Nuclear Information System (INIS)

    Dupont-Roc, J.

    2002-01-01

    Van der Waals or Casimir interaction between neutral quantum objects in their ground state is known to be universally attractive. This is not necessarily so when these objects are embedded in a polarizable medium. We show that atomic impurities in liquid helium may indeed realize repulsive forces, and even Van der Waals and Casimir forces with different signs. (author)

  9. Discrete impurity band from surface danging bonds in nitrogen and phosphorus doped SiC nanowires

    Science.gov (United States)

    Li, Yan-Jing; Li, Shu-Long; Gong, Pei; Li, Ya-Lin; Cao, Mao-Sheng; Fang, Xiao-Yong

    2018-04-01

    The electronic structure and optical properties of the nitrogen and phosphorus doped silicon carbide nanowires (SiCNWs) are investigated using first-principle calculations based on density functional theory. The results show doping can change the type of the band gap and improve the conductivity. However, the doped SiCNWs form a discrete impurity levels at the Fermi energy, and the dispersion degree decreases with the diameter increasing. In order to reveal the root of this phenomenon, we hydrogenated the doped SiCNWs, found that the surface dangling bonds were saturated, and the discrete impurity levels are degeneracy, which indicates that the discrete impurity band of the doped SiCNWs is derived from the dangling bonds. The surface passivation can degenerate the impurity levels. Therefore, both doping and surface passivation can better improve the photoelectric properties of the SiCNWs. The result can provide additional candidates in producing nano-optoelectronic devices.

  10. Phonon scattering by isotopic impurities

    International Nuclear Information System (INIS)

    Dacol, D.K.

    1974-06-01

    The effects upon vibrations of a perfect crystal lattice due to the replacement of some of its atoms by isotopes of these atoms are studied. The approach consists in considering the isotopic impurities as scattering centres for the quanta of the elastic waves the objective is to obtain the scattering amplitudes. These amplitudes are obtained through a canonical transformation method which was introduced by Chevalier and Rideau in the study of the Wentzel's model in quantum field theory

  11. Impurity diffusion in transition-metal oxides

    International Nuclear Information System (INIS)

    Peterson, N.L.

    1982-06-01

    Intrinsic tracer impurity diffusion measurements in ceramic oxides have been primarily confined to CoO, NiO, and Fe 3 O 4 . Tracer impurity diffusion in these materials and TiO 2 , together with measurements of the effect of impurities on tracer diffusion (Co in NiO and Cr in CoO), are reviewed and discussed in terms of impurity-defect interactions and mechanisms of diffusion. Divalent impurities in divalent solvents seem to have a weak interaction with vacancies whereas trivalent impurities in divalent solvents strongly influence the vacancy concentrations and significantly reduce solvent jump frequencies near a trivalent impurity. Impurities with small ionic radii diffuse more slowly with a larger activation energy than impurities with larger ionic radii for all systems considered in this review. Cobalt ions (a moderate size impurity) diffuse rapidly along the open channels parallel to the c-axis in TiO 2 whereas chromium ions (a smaller-sized impurity) do not. 60 references, 11 figures

  12. Benchmarking DFT and TD-DFT Functionals for the Ground and Excited States of Hydrogen-Rich Peptide Radicals.

    Science.gov (United States)

    Riffet, Vanessa; Jacquemin, Denis; Cauët, Emilie; Frison, Gilles

    2014-08-12

    We assess the pros and cons of a large panel of DFT exchange-correlation functionals for the prediction of the electronic structure of hydrogen-rich peptide radicals formed after electron attachment on a protonated peptide. Indeed, despite its importance in the understanding of the chemical changes associated with the reduction step, the question of the attachment site of an electron and, more generally, of the reduced species formed in the gas phase through electron-induced dissociation (ExD) processes in mass spectrometry is still a matter of debate. For hydrogen-rich peptide radicals in which several positive groups and low-lying π* orbitals can capture the incoming electron in ExD, inclusion of full Hartree-Fock exchange at long-range interelectronic distance is a prerequisite for an accurate description of the electronic states, thereby excluding several popular exchange-correlation functionals, e.g., B3LYP, M06-2X, or CAM-B3LYP. However, we show that this condition is not sufficient by comparing the results obtained with asymptotically correct range-separated hybrids (M11, LC-BLYP, LC-BPW91, ωB97, ωB97X, and ωB97X-D) and with reference CASSCF-MRCI and EOM-CCSD calculations. The attenuation parameter ω significantly tunes the spin density distribution and the excited states vertical energies. The investigated model structures, ranging from methylammonium to hexapeptide, allow us to obtain a description of the nature and energy of the electronic states, depending on (i) the presence of hydrogen bond(s) around the cationic site(s), (ii) the presence of π* molecular orbitals (MOs), and (iii) the selected DFT approach. It turns out that, in the present framework, LC-BLYP and ωB97 yields the most accurate results.

  13. New approach to controlling impurity contamination of a plasma-gun-produced compact torus

    International Nuclear Information System (INIS)

    Post, R.F.; Turner, W.C.

    1982-01-01

    The presence of impurity ions, notably carbon and oxygen, has been determined to be a major factor limiting the lifetime of field-reversed plasma entities produced by coaxial plasma guns such as the Beta II gun at LLNL. Similar problems are encountered in other toroidal plasmas, e.g. those in tokamaks. However, the solution employed there, discharge cleaning, followed by initiation of the plasma at low density (where impurity radiation losses are exceeded by ohmic heating rates) is not applicable here. This note discusses a proposed means for drastically reducing the level of impurities. (These are believed to be evolved from the gun electrode surfaces as a result of thermal shock associated with UV emission from the gun plasma). The idea: take advantage of the UV pulse preferentially to release hydrogen from the electrode surfaces. These surfaces are to be coated with a few-micron-thick layer of titanium, outgassed by preheating and subsequently loaded with hydrogen

  14. McPhy-Energy’s proposal for solid state hydrogen storage materials and systems

    Energy Technology Data Exchange (ETDEWEB)

    Jehan, Michel, E-mail: michel.jehan@mcphy.com [McPhy Energy SA, ZA Retière, 26190 La Motte-Fanjas (France); Fruchart, Daniel, E-mail: daniel.fruchart@grenoble.cnrs.fr [McPhy Energy SA, ZA Retière, 26190 La Motte-Fanjas (France); Institut Néel and CRETA, CNRS, 25 Avenue des Martyrs, BP 166, 38042 Grenoble Cedex 9 (France)

    2013-12-15

    Highlights: •Mechanical alloying with nano-structurizing highly reactive magnesium metal hydrides particles. •Solid reversible hydrogen storage at scale of kg to tons of hydrogen using MgH{sub 2} composite discs. •Natural Expanded Graphite draining heat of reaction during sorption. •Change Phase Material storing reversibly heat of reaction within tank storage as adiabatic system. •Technology fully adapted for renewable energy storage and network energy peak shavings through H{sub 2}. -- Abstract: The renewable resources related, for instance, to solar energies exhibit two main characteristics. They have no practical limits in regards to the efficiency and their various capture methods. However, their intermittence prevents any direct and immediate use of the resulting power. McPhy-Energy proposes solutions based on water electrolysis for hydrogen generation and storage on reversible metal hydrides to efficiently cover various energy generation ranges from MW h to GW h. Large stationary storage units, based on MgH{sub 2}, are presently developed, including both the advanced materials and systems for a total energy storage from ∼70 to more than 90% efficient. Various designs of MgH{sub 2}-based tanks are proposed, allowing the optional storage of the heat of the Mg–MgH{sub 2} reaction in an adjacent phase changing material. The combination of these operations leads to the storage of huge amounts of hydrogen and heat in our so-called adiabatic-tanks. Adapted to intermittent energy production and consumption from renewable sources (wind, sun, tide, etc.), nuclear over-production at night, or others, tanks distribute energy on demand for local applications (on-site domestic needs, refueling stations, etc.) via turbine or fuel cell electricity production.

  15. Moessbauer study of Mg-Ni(Fe) alloys processed as materials for solid state hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Palade, P.; Principi, G., E-mail: giovanni.principi@unipd.it; Sartori, S.; Maddalena, A. [Universita di Padova, Settore Materiali, DIM (Italy); Lo Russo, S. [Universita di Padova, Dipartimento di Fisica (Italy); Schinteie, G.; Kuncser, V.; Filoti, G. [National Institute for Materials Physics, Solid State Magnetism Department (Romania)

    2006-02-15

    Mg-Ni-Fe magnesium-rich intermetallic compounds were prepared following two distinct routes. A Mg{sub 88}Ni{sub 11}Fe{sub 1} sample (A) was prepared by melt spinning Mg-Ni-Fe pellets and then by high-energy ball milling for 6 h the obtained ribbons. A (MgH{sub 2}){sub 88}Ni{sub 11}Fe{sub 1} sample (B) was obtained by high-energy ball milling for 20 h a mixture of Ni, Fe and MgH{sub 2} powders in the due proportions. A SPEX8000 shaker mill with a 10:1 ball to powder ratio was used for milling in argon atmosphere. The samples were submitted to repeated hydrogen absorption/desorption cycles in a Sievert type gas-solid reaction controller at temperatures in the range 520 - 590 K and a maximum pressure of 2.5 MPa during absorption. The samples were analysed before and after the hydrogen absorption/desorption cycles by X-ray diffraction and Moessbauer spectroscopy. The results concerning the hydrogen storage properties of the studied compounds are discussed in connection with the micro-structural characteristics found by means of the used analytical techniques. The improved kinetics of hydrogen desorption for sample A, in comparison to sample B, has been ascribed to the different behaviour of iron atoms in the two cases, as proved by Moessbauer spectroscopy. In fact, iron results homogeneously distributed in sample A, partly at the Mg{sub 2}Ni grain boundaries, with catalytic effect on the gas-solid reaction; in sample B, instead, iron is dispersed inside the hydride powder as metallic iron or superparamagnetic iron.

  16. Center for Hydrogen Storage.

    Science.gov (United States)

    2013-06-01

    The main goals of this project were to (1) Establish a Center for Hydrogen Storage Research at Delaware State University for the preparation and characterization of selected complex metal hydrides and the determination their suitability for hydrogen ...

  17. Electronic dipole moment and tunneling state of hydrogen atom in hydrogen-bond materials revealed by neutron and X-ray structure analyses

    International Nuclear Information System (INIS)

    Kiyanagi, Ryoji; Noda, Yukio; Mochida, Tomoyuki; Sugawara, Tadashi

    2007-01-01

    The isolated hydrogen-bonded materials, 5-methyl-9-hydroxyphenalenone (MeHPLN) and 5-bromo-9-hydroxyphenalenone (Br-HPLN), were studied by means of X-ray and neutron diffraction methods. It was found that the position of the nucleus of the hydrogen atom in the hydrogen-bond region does not agree with the center of mass of the electron cloud of the hydrogen atom. This leads to a local electronic dipole moment in the hydrogen-bond region. Using the experimentally obtained dipole moment, phase transition temperatures for MeHPLN and BrHPLN were calculated based on a tunneling model. Result shows good agreement with the ones obtained by a dielectric measurement. (author)

  18. Exchange reaction between hydrogen and deuterium. I. Importance of surface reactions in the steady-state mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Marteau, C; Gaillard-Cusin, F; James, H [Centre National de la Recherche Scientifique, 45 - Orleans-la-Source (France). Centre de Recherches sur la Chimie de Combustion et des Hautes Temperatures

    1978-05-01

    Investigation of heterogeneous initiation process of gas phase linear chain reactions is carried out through the study of H/sub 2/-D/sub 2/ exchange reaction. Experimental data under study concern mainly the stationary rate of HD formation and the prestationary proceeding. Steady-state method accounts for the first one of these data; it allows to clearly compare the wall process part to the part played by the homogeneous chain reaction towards HD formation. Activation energy of exchange elementary step between chemisorbed hydrogen (on silica) and gaseous deuterium has been evaluated: Esub(e1)=52+-1 Kcal/mole.

  19. On steady-state concentrations of ammonia and molecular hydrogen in the primary circuit of the WWER-1000 reactors

    International Nuclear Information System (INIS)

    Arkhipov, O.P.; Bugaenko, V.L.; Kamakchi, S.A.

    1997-01-01

    It is shown that the MORAVA-N2 software package describes well the coolant state in the primary circuit of an actual reactor facility with the WWER-1000 during on-load operation. It permits using the package for analysis of process perturbation effect on the coolant composition. Specific feature of ammonia radiation chemistry in the primary circuit of a reactor facility with the WWER-1000, assuring the rates hydrogen concentration in the coolant with ammonia concentration variation in the coolant within wide limits, when reactor operates on power, can be mentioned by way of example, the fact being ascertained in this study

  20. A model of magnetic impurities within the Josephson junction of a phase qubit

    Energy Technology Data Exchange (ETDEWEB)

    Erickson, R P; Pappas, D P [National Institute of Standards and Technology, Boulder, CO 80305 (United States)

    2010-02-15

    We consider a superconducting phase qubit consisting of a monocrystalline sapphire Josephson junction with its symmetry axis perpendicular to the junction interfaces. Via the London gauge, we present a theoretical model of Fe{sup 3+} magnetic impurities within the junction that describes the effect of a low concentration of such impurities on the operation of the qubit. Specifically, we derive an interaction Hamiltonian expressed in terms of angular momentum states of magnetic impurities and low-lying oscillator states of a current-biased phase qubit. We discuss the coupling between the qubit and impurities within the model near resonance. When the junction is biased at an optimal point for acting as a phase qubit, with a phase difference of {pi}/2 and impurity concentration no greater than 0.05%, we find only a slight decrease in the Q factor of less than 0.01%.

  1. STM tunneling through a quantum wire with a side-attached impurity

    International Nuclear Information System (INIS)

    Kwapinski, T.; Krawiec, M.; Jalochowski, M.

    2008-01-01

    The STM tunneling through a quantum wire (QW) with a side-attached impurity (atom, island) is investigated using a tight-binding model and the non-equilibrium Keldysh Green function method. The impurity can be coupled to one or more QW atoms. The presence of the impurity strongly modifies the local density of states of the wire atoms, thus influences the STM tunneling through all the wire atoms. The transport properties of the impurity itself are also investigated mainly as a function of the wire length and the way it is coupled to the wire. It is shown that the properties of the impurity itself and the way it is coupled to the wire strongly influence the STM tunneling, the density of states and differential conductance

  2. Impurity and quaternions in nonrelativistic scattering from a quantum memory

    International Nuclear Information System (INIS)

    Margetis, Dionisios; Grillakis, Manoussos G

    2008-01-01

    Models of quantum computing rely on transformations of the states of a quantum memory. We study mathematical aspects of a model proposed by Wu in which the memory state is changed via the scattering of incoming particles. This operation causes the memory content to deviate from a pure state, i.e. induces impurity. For nonrelativistic particles scattered from a two-state memory and sufficiently general interaction potentials in (1+1) dimensions, we express impurity in terms of quaternionic commutators. In this context, pure memory states correspond to null hyperbolic quaternions. In the case with point interactions, the scattering process amounts to appropriate rotations of quaternions in the frequency domain. Our work complements previous analyses by Margetis and Myers (2006 J. Phys. A 39 11567)

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

    International Nuclear Information System (INIS)

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

    1984-10-01

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

  4. Kinetics of exchange between zero-, one-, and two-hydrogen-bonded states of methyl and ethyl acetate in methanol.

    Science.gov (United States)

    Chuntonov, Lev; Pazos, Ileana M; Ma, Jianqiang; Gai, Feng

    2015-03-26

    It has recently been shown that the ester carbonyl stretching vibration can be used as a sensitive probe of local electrostatic field in molecular systems. To further characterize this vibrational probe and extend its potential applications, we studied the kinetics of chemical exchange between differently hydrogen-bonded (H-bonded) ester carbonyl groups of methyl acetate (MA) and ethyl acetate (EA) in methanol. We found that, while both MA and EA can form zero, one, or two H-bonds with the solvent, the population of the 2hb state in MA is significantly smaller than that in EA. Using a combination of linear and nonlinear infrared measurements and numerical simulations, we further determined the rate constants for the exchange between these differently H-bonded states. We found that for MA the chemical exchange reaction between the two dominant states (i.e., 0hb and 1hb states) has a relaxation rate constant of 0.14 ps(-1), whereas for EA the three-state chemical exchange reaction occurs in a predominantly sequential manner with the following relaxation rate constants: 0.11 ps(-1) for exchange between 0hb and 1hb states and 0.12 ps(-1) for exchange between 1hb and 2hb states.

  5. Muonium and hydrogen defect centres in solids

    International Nuclear Information System (INIS)

    Cox, S.F.J.

    1990-12-01

    Hydrogen and its light isotope, muonium, may both be observed in insulating crystals as trapped interstitial atoms. Their difference in mass gives rise to a small dynamic isotope effect in hyperfine coupling constant and a large difference in diffusive behaviour - muonium showing in some lattices a striking minimum in mobility versus temperature. Muonium may still be detected as isolated paramagnetic centres in the semiconductors whereas information on hydrogen in these materials is restricted to diamagnetic states in association with other impurities. Arguably one of the most significant findings of the muonium spin rotation technique is the coexistence of two distinct types of muonium centre in many of the tetrahedrally co-ordinated lattices. In literature spanning more than a decade, the isotropic state was described as ''normal'' muonium and assigned to the tetrahedral interstitial site, while the nature of the ''anomalous'' anisotropic state remained a puzzle. Within the last few years the situation has entirely reversed: the anisotropic state has been recognised as the more stable of the two and its electronic structure and (bond-centre) location have been well established, whereas the precise location of the isotropic state and the nature of its metastability have become open questions. (author)

  6. Enhanced catalytic hydrogenation activity of Ni/reduced graphene oxide nanocomposite prepared by a solid-state method

    Science.gov (United States)

    Li, Yizhao; Cao, Yali; Jia, Dianzeng

    2018-01-01

    A simple solid-state method has been applied to synthesize Ni/reduced graphene oxide (Ni/rGO) nanocomposite under ambient condition. Ni nanoparticles with size of 10-30 nm supported on reduced graphene oxide (rGO) nanosheets are obtained through one-pot solid-state co-reduction among nickel chloride, graphene oxide, and sodium borohydride. The Ni/rGO nanohybrid shows enhanced catalytic activity toward the reduction of p-nitrophenol (PNP) into p-aminophenol compared with Ni nanoparticles. The results of kinetic research display that the pseudo-first-order rate constant for hydrogenation reaction of PNP with Ni/rGO nanocomposite is 7.66 × 10-3 s-1, which is higher than that of Ni nanoparticles (4.48 × 10-3 s-1). It also presents superior turnover frequency (TOF, 5.36 h-1) and lower activation energy ( E a, 29.65 kJ mol-1) in the hydrogenation of PNP with Ni/rGO nanocomposite. Furthermore, composite catalyst can be magnetically separated and reused for five cycles. The large surface area and high electron transfer property of rGO support are beneficial for good catalytic performance of Ni/rGO nanocomposite. Our study demonstrates a simple approach to fabricate metal-rGO heterogeneous nanostructures with advanced functions.

  7. Interactions of structural defects with metallic impurities in multicrystalline silicon

    International Nuclear Information System (INIS)

    McHugo, S.A.; Thompson, A.C.; Hieslmair, H.

    1997-01-01

    Multicrystalline silicon is one of the most promising materials for terrestrial solar cells. It is critical to getter impurities from the material as well as inhibit contamination during growth and processing. Standard processing steps such as, phosphorus in-diffusion for p-n junction formation and aluminum sintering for backside ohmic contact fabrication, intrinsically possess gettering capabilities. These processes have been shown to improve L n values in regions of multicrystalline silicon with low structural defect densities but not in highly dislocated regions. Recent Deep Level Transient Spectroscopy (DLTS) results indirectly reveal higher concentrations of iron in highly dislocated regions while further work suggests that the release of impurities from structural defects, such as dislocations, is the rate limiting step for gettering in multicrystalline silicon. The work presented here directly demonstrates the relationship between metal impurities, structural defects and solar cell performance in multicrystalline silicon. Edge-defined Film-fed Growth (EFG) multicrystalline silicon in the as-grown state and after full solar cell processing was used in this study. Standard solar cell processing steps were carried out at ASE Americas Inc. Metal impurity concentrations and distributions were determined by use of the x-ray fluorescence microprobe (beamline 10.3.1) at the Advanced Light Source, Lawrence Berkeley National Laboratory. The sample was at atmosphere so only elements with Z greater than silicon could be detected, which includes all metal impurities of interest. Structural defect densities were determined by preferential etching and surface analysis using a Scanning Electron Microscope (SEM) in secondary electron mode. Mapped areas were exactly relocated between the XRF and SEM to allow for direct comparison of impurity and structural defect distributions

  8. Electron capture into the n = 3 states of hydrogen by proton impact on CO, CO2, and N2O

    International Nuclear Information System (INIS)

    Loyd, D.H.; Dawson, H.R.

    1979-01-01

    Absolute cross sections for electron capture into the 3s, 3p, and 3d states of hydrogen have been measured for 2.2--8.2-keV proton impact on CO, CO 2 , and N 2 O. The relative magnitudes of the 3s, 3p, and 3d cross sections for CO are very similar to cross sections previously measured for elemental gases. The CO 2 and N 2 O cross sections have a very different relative distribution among the 3s, 3p, and 3d states compared to all other gases studied in this laboratory, with the 3p cross section being so small that only an estimate of the upper limit to the cross section was possible

  9. The dimensions of the policy debate over transportation energy: The case of hydrogen in the United States

    International Nuclear Information System (INIS)

    Collantes, Gustavo

    2008-01-01

    Environmental and politico-strategic concerns have driven the increase in policy activity related to energy that the United States witnessed in the last few years. The nature of the issues at stake and the level of stakeholder involvement result in a highly complex policy debate. The broad concern of this paper is the study of this energy-policy process and the identification of the main policy issues. Specifically, multivariate analysis is applied to data on a wide variety of stakeholders' policy beliefs and policy preferences to identify the policy dimensions that characterize the debate over energy policy in the United States. The focus is on the policy debate over hydrogen as a transportation fuel, although many results are applicable to the debate over transportation energy at large. The analysis uses a dataset of 502 individuals from 323 different stakeholder organizations obtained via a web-based survey specifically designed for this study

  10. Hydrogen-bonded intermediates and transition states during spontaneous and acid-catalyzed hydrolysis of the carcinogen (+)-anti-BPDE.

    Science.gov (United States)

    Palenik, Mark C; Rodriguez, Jorge H

    2014-07-07

    Understanding mechanisms of (+)-anti-BPDE detoxification is crucial for combating its mutagenic and potent carcinogenic action. However, energetic-structural correlations of reaction intermediates and transition states during detoxification via hydrolysis are poorly understood. To gain mechanistic insight we have computationally characterized intermediate and transition species associated with spontaneous and general-acid catalyzed hydrolysis of (+)-anti-BPDE. We studied the role of cacodylic acid as a proton donor in the rate limiting step. The computed activation energy (ΔG‡) is in agreement with the experimental value for hydrolysis in a sodium cacodylate buffer. Both types of, spontaneous and acid catalyzed, BPDE hydrolysis can proceed through low-entropy hydrogen bonded intermediates prior to formation of transition states whose energies determine reaction activation barriers and rates.

  11. Impurity transport studies on the FTU tokamak

    International Nuclear Information System (INIS)

    Pacella, D.; Romanelli, F.; Gregory, B.

    1999-01-01

    In this work, the radial profile of the diffusion coefficient D and the convective velocity V in the plasma core (0 2 /s and V ∼ 100 m/s. A model for the anomalous transport induced by electrostatic turbulence is developed. With a typical fluctuation spectrum (ω = 10 5 -2x10 5 Hz), calculations can reproduce very well the experimental results. To investigate the impurity behavior in a non-stationary phase, Kr gas was injected into the plasma. It is found that the total flux of Kr gas flowing into the core is also driven by diffusion but the magnitude is much lower than the single ion fluxes derived for Mo ions. The effect of the turbulence on the single ion is very strong but it is reduced when averaged over many charge states. (author)

  12. Fuel cell collaboration in the United States. Follow up report to the Danish Partnership for Hydrogen and Fuel Cells

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-01-15

    Fuel cell technology continues to grow in the United States, with strong sales in stationary applications and early markets such as data centers, materials handling equipment, and telecommunications sites. New fuel cell customers include Fortune 500 companies Apple, eBay, Coca-Cola, and Walmart, who will use fuel cells to provide reliable power to data centers, stores, and facilities. Some are purchasing multi-megawatt (MW) systems, including three of the largest non-utility purchases of stationary fuel cells in the world by AT and T, Apple and eBay - 17 MW, 10 MW and 6 MW respectively. Others are replacing fleets of battery forklifts with fuel cells. Sysco, the food distributor, has more than 700 fuel cell-powered forklifts operating at seven facilities, with more on order. Mega-retailer Walmart now operates more than 500 fuel cell forklifts at three warehouses, including a freezer facility. Although federal government budget reduction efforts are impacting a wide range of departments and programs, fuel cell and hydrogen technology continues to be funded, albeit at a lower level than in past years. The Department of Energy (DOE) is currently funding fuel cell and hydrogen R and D and has nearly 300 ongoing projects at companies, national labs, and universities/institutes universities. The American Recovery and Reinvestment Act (ARRA) of 2009 and DOE's Market Transformation efforts have acted as a government ''catalyst'' for market success of emerging technologies. Early market deployments of about 1,400 fuel cells under the ARRA have led to more than 5,000 additional fuel cell purchases by industry with no DOE funding. In addition, interest in Congress remains high. Senators Richard Blumenthal (D-CT), Chris Coons (D-DE), Lindsey Graham (R-SC) and John Hoeven (R-ND) re-launched the bipartisan Senate Fuel Cell and Hydrogen Caucus in August 2012 to promote the continued development and commercialization of hydrogen and fuel cell technologies

  13. Impurity control in toroidal devices

    International Nuclear Information System (INIS)

    1990-01-01

    This summary report on the Technical Committee Meeting organized by the IAEA and held in Naka-Gun, Japan, 13-15 February 1989, provides an overview of the results presented. Of the twenty-three papers presented, sixteen were devoted to tokamak experiments. These presented data of plasma behavior in the scrape-off layer and divertor regions, as well as effects of impurities on the core plasma; these are summarized here. Other papers summarized deal with plasma-wall interactions, including wall material behavior. Still others deal with theoretical work on physics modelling in the edge region. Refs, figs and tabs

  14. Ground state hydrogen conformations and vibrational analysis of 1,2-dihdroxyanthraquinone (alizarin) molecule by AB initio Hartree-Fock and density functional theory calculations

    International Nuclear Information System (INIS)

    Delta, E.; Ucun, F.; Saglam, A.

    2010-01-01

    The ground state hydrogen conformations of 1,2-dihydroxyanthraquinone (alizarin) molecule have been investigated using ab initio Hartree-Fock (HF) and density functional theory (B3LYP) methods with 6-31G(d,p) basis set. The calculations indicate that the compound in the ground state exist with the doubly bonded O atom linked intra molecularly by the two hydrogen bonds. The vibrational analyses of the ground state conformation of the compound were also made and its optimized geometry parameters were given.

  15. Influence of impurities on the fuel retention in fusion reactors

    International Nuclear Information System (INIS)

    Reinhart, Michael

    2015-01-01

    The topic of this thesis is the influence of plasma impurities on the hydrogen retention in metals, in the scope of plasma-wall-interaction research for fusion reactors. This is addressed experimentally and by modelling. The mechanisms of the hydrogen retention are influenced by various parameters like the wall temperature, ion energy, flux and fluence as well as the plasma composition. The plasma composition is a relevant factor for hydrogen retention in fusion reactors, as their plasma will also contain impurities like helium or seeded impurities like argon. The experiments treated in this thesis were performed in the linear plasma generator PSI-2 at Forschungszentrum Juelich, and are divided in 3 parts: The first experiments cover the plasma diagnostics, most importantly the measurement of the impurity ion concentration in the plasma by optical emission spectroscopy. This is a requirement for the later experiments with mixed plasmas. Diagnostics like Langmuir probe measurements are not applicable for this task because they do not distinguish different ionic species. The results also show that the impurity ion concentrations cannot be simply concluded from the neutral gas input to the plasma source, because the relation between the neutral gas concentration and impurity ion concentration is not linear. The second and main part of the experiments covers the exposure of tungsten samples to deuterium plasmas. In the experiments, the impurity ion type and concentration is variated, to verify the general influence of helium and argon on the deuterium retention in tungsten samples exposed at low temperatures. It shows that helium impurities reduce the amount of retained deuterium by a factor of 3, while argon impurities slightly increase the total retention, compared to exposures to a pure deuterium plasma. Cross-sections of the exposed tungsten surfaces via TEM-imaging reveal a 12-15 nm deep helium nanobubble layer at the surface of the sample, while for the cases of

  16. Influence of impurities on the fuel retention in fusion reactors

    Energy Technology Data Exchange (ETDEWEB)

    Reinhart, Michael

    2015-07-01

    The topic of this thesis is the influence of plasma impurities on the hydrogen retention in metals, in the scope of plasma-wall-interaction research for fusion reactors. This is addressed experimentally and by modelling. The mechanisms of the hydrogen retention are influenced by various parameters like the wall temperature, ion energy, flux and fluence as well as the plasma composition. The plasma composition is a relevant factor for hydrogen retention in fusion reactors, as their plasma will also contain impurities like helium or seeded impurities like argon. The experiments treated in this thesis were performed in the linear plasma generator PSI-2 at Forschungszentrum Juelich, and are divided in 3 parts: The first experiments cover the plasma diagnostics, most importantly the measurement of the impurity ion concentration in the plasma by optical emission spectroscopy. This is a requirement for the later experiments with mixed plasmas. Diagnostics like Langmuir probe measurements are not applicable for this task because they do not distinguish different ionic species. The results also show that the impurity ion concentrations cannot be simply concluded from the neutral gas input to the plasma source, because the relation between the neutral gas concentration and impurity ion concentration is not linear. The second and main part of the experiments covers the exposure of tungsten samples to deuterium plasmas. In the experiments, the impurity ion type and concentration is variated, to verify the general influence of helium and argon on the deuterium retention in tungsten samples exposed at low temperatures. It shows that helium impurities reduce the amount of retained deuterium by a factor of 3, while argon impurities slightly increase the total retention, compared to exposures to a pure deuterium plasma. Cross-sections of the exposed tungsten surfaces via TEM-imaging reveal a 12-15 nm deep helium nanobubble layer at the surface of the sample, while for the cases of

  17. Void growth suppression by dislocation impurity atmospheres

    International Nuclear Information System (INIS)

    Weertman, J.; Green, W.V.

    1976-01-01

    A detailed calculation is given of the effect of an impurity atmosphere on void growth under irradiation damage conditions. Norris has proposed that such an atmosphere can suppress void growth. The hydrostatic stress field of a dislocation that is surrounded by an impurity atmosphere was found and used to calculate the change in the effective radius of a dislocation line as a sink for interstitials and vacancies. The calculation of the impurity concentration in a Cottrell cloud takes into account the change in hydrostatic pressure produced by the presence of the cloud itself. It is found that void growth is eliminated whenever dislocations are surrounded by a condensed atmosphere of either oversized substitutional impurity atoms or interstitial impurity atoms. A condensed atmosphere will form whenever the average impurity concentration is larger than a critical concentration

  18. Impurity-induced moments in underdoped cuprates

    International Nuclear Information System (INIS)

    Khaliullin, G.; Kilian, R.; Krivenko, S.; Fulde, P.

    1997-01-01

    We examine the effect of a nonmagnetic impurity in a two-dimensional spin liquid in the spin-gap phase, employing a drone-fermion representation of spin-1/2 operators. The properties of the local moment induced in the vicinity of the impurity are investigated and an expression for the nuclear-magnetic-resonance Knight shift is derived, which we compare with experimental results. Introducing a second impurity into the spin liquid an antiferromagnetic interaction between the moments is found when the two impurities are located on different sublattices. The presence of many impurities leads to a screening of this interaction as is shown by means of a coherent-potential approximation. Further, the Kondo screening of an impurity-induced local spin by charge carriers is discussed. copyright 1997 The American Physical Society

  19. Graphene plasmons: Impurities and nonlocal effects

    Science.gov (United States)

    Viola, Giovanni; Wenger, Tobias; Kinaret, Jari; Fogelström, Mikael

    2018-02-01

    This work analyzes how impurities and vacancies on the surface of a graphene sample affect its optical conductivity and plasmon excitations. The disorder is analyzed in the self-consistent Green's function formulation and nonlocal effects are fully taken into account. It is shown that impurities modify the linear spectrum and give rise to an impurity band whose position and width depend on the two parameters of our model, the density and the strength of impurities. The presence of the impurity band strongly influences the electromagnetic response and the plasmon losses. Furthermore, we discuss how the impurity-band position can be obtained experimentally from the plasmon dispersion relation and discuss this in the context of sensing.

  20. Moessbauer Studies of Implanted Impurities in Solids

    CERN Multimedia

    2002-01-01

    Moessbauer studies were performed on implanted radioactive impurities in semiconductors and metals. Radioactive isotopes (from the ISOLDE facility) decaying to a Moessbauer isotope were utilized to investigate electronic and vibrational properties of impurities and impurity-defect structures. This information is inferred from the measured impurity hyperfine interactions and Debye-Waller factor. In semiconductors isoelectronic, shallow and deep level impurities have been implanted. Complex impurity defects have been produced by the implantation process (correlated damage) or by recoil effects from the nuclear decay in both semiconductors and metals. Annealing mechanisms of the defects have been studied. \\\\ \\\\ In silicon amorphised implanted layers have been recrystallized epitaxially by rapid-thermal-annealing techniques yielding highly supersaturated, electrically-active donor concentrations. Their dissolution and migration mechanisms have been investigated in detail. The electronic configuration of Sb donors...