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Sample records for jahn-teller stabilization energie

  1. Andrew Liehr and the structure of Jahn-Teller surfaces

    International Nuclear Information System (INIS)

    Chibotaru, Liviu F.; Iwahara, Naoya

    2017-01-01

    The present article is an attempt to draw attention to a seminal work by Andrew Liehr “Topological aspects of conformational stability problem” [1, 2] issued more than half century ago. The importance of this work stems from two aspects of static Jahn-Teller and pseudo-Jahn-Teller problems fully developed by the author. First, the work of Liehr offers an almost complete overview of adiabatic potential energy surfaces for most known Jahn-Teller problems including linear, quadratic and higher-order vibronic couplings. Second, and most importantly, it identifies the factors defining the structure of Jahn-Teller surfaces. Among them, one should specially mention the minimax principle stating that the distorted Jahn-Teller systems tend to preserve the highest symmetry consistent with the loss of their orbital degeneracy. We believe that the present short reminiscence not only will introduce a key Jahn-Teller scientist to the young members of the community but also will serve as a vivid example of how a complete understanding of a complex problem, which the Jahn-Teller effect certainly was in the beginning of 1960s, can be achieved. (paper)

  2. Quantifying the effects of higher order coupling terms on fits using a second order Jahn-Teller Hamiltonian

    Science.gov (United States)

    Tran, Henry K.; Stanton, John F.; Miller, Terry A.

    2018-01-01

    The limitations associated with the common practice of fitting a quadratic Hamiltonian to vibronic levels of a Jahn-Teller system have been explored quantitatively. Satisfactory results for the prototypical X∼2E‧ state of Li3 are obtained from fits to both experimental spectral data and to an "artificial" spectrum calculated by a quartic Hamiltonian which accurately reproduces the adiabatic potential obtained from state-of-the-art quantum chemistry calculations. However the values of the Jahn-Teller parameters, stabilization energy, and pseudo-rotation barrier obtained from the quadratic fit differ markedly from those associated with the ab initio potential. Nonetheless the RMS deviations of the fits are not strikingly different. Guidelines are suggested for comparing parameters obtained from fits to experiment to those obtained by direct calculation, but a principal conclusion of this work is that such comparisons must be done with a high degree of caution.

  3. Relativistic Jahn-Teller effect in tetrahedral systems

    International Nuclear Information System (INIS)

    Opalka, Daniel; Domcke, Wolfgang; Segado, Mireia; Poluyanov, Leonid V.

    2010-01-01

    It is shown that orbitally degenerate states in highly symmetric systems are split by Jahn-Teller forces which are of relativistic origin (that is, they arise from the spin-orbit coupling operator). For the example of tetrahedral systems, the relativistic Jahn-Teller Hamiltonians of orbitally degenerate electronic states with spin 1/2 are derived. While both electrostatic and relativistic forces contribute to the Jahn-Teller activity of vibrational modes of E and T 2 symmetry in 2 T 2 states of tetrahedral systems, the electrostatic and relativistic Jahn-Teller couplings are complementary for 2 E states: The E mode is Jahn-Teller active through electrostatic forces, while the T 2 mode is Jahn-Teller active through the relativistic forces. The relativistic Jahn-Teller parameters have been computed with ab initio relativistic electronic-structure methods. It is shown for the example of the tetrahedral cluster cations of the group V elements that the relativistic Jahn-Teller couplings can be of the same order of magnitude as the familiar electrostatic Jahn-Teller couplings for the heavier elements.

  4. Jahn-Teller effect fundamentals and implications for physics and chemistry

    CERN Document Server

    Koppel, Horst; Barentzen, Heinz

    2009-01-01

    The Jahn-Teller effect continues to be a paradigm for structural instabilities and dynamical processes in molecules and in the condensed phase. While the basic theorem, first published in 1937, had to await experimental verification for 15 years, the intervening years have seen rapid development, initially in the theoretical arena, followed increasingly by experimental work on molecules and crystals. Among the many important developments in the field we mention cooperative phenomena in crystals, the general importance of pseudo-Jahn-Teller couplings for symmetry-lowering phenomena in molecular systems, nonadiabatic processes at conical intersections of potential energy surfaces and extensions of the basic theory in relation to the discovery of fullerenes and other icosahedral systems. The aim of the present volume is to provide a survey of the state-of-the art in Jahn-Teller interactions at the interface of quantum chemistry and condensed matter physics.

  5. Jahn-Teller effect: its history and applicability

    International Nuclear Information System (INIS)

    Teller, E.

    1981-01-01

    The interactions between Teller, Renner, Jahn and Landau which led to the formulation of the Jahn-Teller effect are discussed. The applicability of Jahn-Teller type of theory to superconductivity and the explanation proposed by the use of Goldstone particles are assessed

  6. Some comments on 'Jahn-Teller effect in coronene monoanion: a comparative study with corannulene monoanion' [Chem. Phys. 287 (2003) 91

    International Nuclear Information System (INIS)

    Breza, M.

    2003-01-01

    A group-theoretical analysis of Jahn-Teller distortions using step-by-step symmetry descent method is based on consecutive removal of symmetry elements during electron degeneracy splitting. The results of this treatment imply that the Jahn-Teller effect in D 6h parent symmetry group may result in stable geometries of D 2h , D 2 , C 2h , C 2v , C 2 , C i , C s and/or C 1 symmetries. The Jahn-Teller effect in D 5h parent group may result in C 2v , C 2 , C s and/or C 1 stable geometries. All these symmetry groups may correspond to classical saddle points of Jahn-Teller energy hypersurfaces. Possible electronic states in these geometries may be also predicted. Such complex hypersurfaces cannot be described by the classical treatments based on Jahn-Teller active coordinates

  7. On the interplay of Jahn-Teller physics and Mott physics in cuprates

    International Nuclear Information System (INIS)

    Kamimura, H; Ushio, H

    2008-01-01

    The extended two-story house model which is now called the Kamimura-Suwa (K-S) model has clarified how the interplay of Mott physics and Jahn-Teller physics plays an important role in determining the superconducting as well as metallic state of underdoped cuprates. In this paper it is first pointed out for underdoped cuprates that Mott physics leads to the existence of local antiferromagnetic order constructed from the localized spins while that the anti-Jahn-Teller effect as a central issue of Jahn-Teller physics leads to the existence of two kinds of orbitals parallel and perpendicular to a CuO 2 plane whose states have nearly the same energy. As a result of the interplay of both physics the K-S model has shown that the exchange interactions between the spins of a localized hole and of a carrier hole play an important role in producing the coexistence of superconductivity and antiferromagnetism in underdoped cuprates. The appearance of d-wave superconductivity even in the phonon-involved mechanism is also shown to be due to the interplay of Jahn-Teller physics and Mott Physics. Brief review of these facts as well as the K-S model is given in this paper. More outstanding result in this paper is that the origin of pseudogap in the deeply underdoped regime has been clarified. In this paper it is shown theoretically for the first time that the so-called T* pseudogap observed in ARPES, STM and tunneling experiments below T c in underdoped cuprates corresponds to the real transition of photo-excited electrons from the occupied states in the originally conduction band below the superconducting gap to a free-electron state above the vacuum level. Thus we conclude that the T* pseudogap in the underdoped cuprates which increases with decreasing the hole concentration is not 'pseudo', but a real gap which exists even below T c

  8. Jahn-Teller effect in vanadium, niobium and tantalum tetrafluoride molecules: ab initio study by the CASSCF method

    International Nuclear Information System (INIS)

    Solomonik, V.G.; Pogrebnaya, T.P.

    2001-01-01

    The basic and the first exciting electronic state of the VF 4 , NbF 4 and TaF 4 molecules were studied by the self-consistent field multifunctional method in the approximation of active orbitals full space. The symmetry of these states is defined as 2 E and 2 T 2 at tetrahedron configuration of the nuclei. The energies of electron excitation 2 E → 2 T 2 comprise 11610 (VF 4 ), 13450 (NbF 4 ) and 12560 cm -1 (TaF 4 ). In line to Jahn-Teller theorem the calculations evidenced instability of tetrahedron configuration of the molecules in the orbital-singular electronic states 2 E and 2 T 2 . The properties of the systems of the molecule potential energies were found, in keeping with deformation of tetrahedron configuration of the nuclei along the oscillation coordinates of the e symmetry, active in the Jahn-Teller effect. Equilibrium geometric configuration of the molecules with the lowest energy has a symmetry D 2d as in the basic ( 2 A 1 ), so in the first excited electronic state. The energy of the adiabatic electronic excitation 2 A 1 → 2 B 2 is equal to 8440 (VF 4 ), 9050 (NbF 4 ) and 11920 cm -1 (TaF 4 ). Deviations of molecules equilibrium geometry on the structure of the normal tetrahedron and the energy of Jahn-Teller stabilization E JT grow essentially in the series of the molecules VF 4 → NbF 4 → TaF 4 : E JT =E(T d , 2 E)Epy - E(D 2d , 2 A 1 )=412, 1856, 5970 cm -1 ; E JT =E(T d , 2 T 2 ) - E(D 2d , 2 B 2 )=3584, 6259, 6611 cm -1 . The quadratic force constants, the frequencies of normal oscillations and the intensities in the IR spectra of the VF 4 , NbF 4 and TaF 4 molecules in the basic state were calculated [ru

  9. PREFACE: XXIst International Symposium on the Jahn-Teller Effect 2012

    Science.gov (United States)

    Koizumi, Hiroyasu

    2013-04-01

    (The PDF contains the full conference program, the list of sponsors and the conference poster.) The 21st International Symposium on the Jahn-Teller effect was held at the University of Tsukuba, Japan, from 26-31 August 2012. People from 23 different countries participated and the number of registered participants was 118. In this symposium, the phrase 'Jahn-Teller effect' was taken to have a rather broad meaning. We discussed the Jahn-Teller and pseudo Jahn-Teller distortions. We also discussed general vibronic problems, and the problems associated with the conical intersections of the potential energy surfaces. As is indicated in the subtitle of the present symposium, 'Physics and Chemistry of Symmetry Breaking', a number of different topics concerning symmetry breaking were also extensively discussed. In particular, we had many discussions on magnetism, ferroelectricity, and superconductivity. A subtle but important problem that was dealt with was the appearance of multi-valuedness in the use of multi-component wave functions. In the Jahn-Teller problems, we almost always use the multi-component wave functions, thus, the knowledge of the proper handling of multi-valuedness is very important. Digital computers are not good at dealing with multi-valuedness, but we need to somehow handle it in our calculations. A very well known example of successful handling is found in the problem of the molecular system with the conical intersection: we cannot obtain the solution that satisfies the single-valuedness of wave functions (SVWF) just using the potential energy surface generated by a package program, and solving the Schrödinger equation with the quantum Hamiltonian constructed from the classical counterpart by replacing the classical variables with the corresponding operators; however, if a gauge potential is included and the double-valuedness of the electronic wave functions around the conical intersections is taken into account, the solution that satisfies the SVWF

  10. Jahn-Teller effect versus Hund's rule coupling in C60N-

    Science.gov (United States)

    Wehrli, S.; Sigrist, M.

    2007-09-01

    We propose variational states for the ground state and the low-energy collective rotator excitations in negatively charged C60N- ions (N=1,…,5) . The approach includes the linear electron-phonon coupling and the Coulomb interaction on the same level. The electron-phonon coupling is treated within the effective mode approximation which yields the linear t1u⊗Hg Jahn-Teller problem whereas the Coulomb interaction gives rise to Hund’s rule coupling for N=2,3,4 . The Hamiltonian has accidental SO(3) symmetry which allows an elegant formulation in terms of angular momenta. Trial states are constructed from coherent states and using projection operators onto angular momentum subspaces which results in good variational states for the complete parameter range. The evaluation of the corresponding energies is to a large extent analytical. We use the approach for a detailed analysis of the competition between Jahn-Teller effect and Hund’s rule coupling, which determines the spin state for N=2,3,4 . We calculate the low-spin-high-spin gap for N=2,3,4 as a function of the Hund’s rule coupling constant J . We find that the experimentally measured gaps suggest a coupling constant in the range J=60-80meV . Using a finite value for J , we recalculate the ground state energies of the C60N- ions and find that the Jahn-Teller energy gain is partly counterbalanced by the Hund’s rule coupling. In particular, the ground state energies for N=2,3,4 are almost equal.

  11. Experimental confirmation of the Jahn-Teller distortion of CH4+

    International Nuclear Information System (INIS)

    Gemmell, D.S.; Kanter, E.P.; Pietsch, W.J.

    1979-01-01

    Measured energy and angular distributions are reported for H + and C/sup n+/ (n = 2,3,4) fragments resulting from the collisional dissociation of 200-keV/amu CH/sub m/ + (m = 0 to 4) in thin carbon targets. From the systematic trends of these Coulomb explosion spectra, qualitative information can be obtained on the structures of these species. In particular, the series displays a narrowing of the carbon angular and energy widths as protons are symmetrically added around a central carbon atom and provide a focusing effect. Because of the Jahn-Teller distortion, the carbon width in CH 4 + is dramatically increased. 8 references

  12. Rotational Parameters from Vibronic Eigenfunctions of Jahn-Teller Active Molecules

    Science.gov (United States)

    Garner, Scott M.; Miller, Terry A.

    2017-06-01

    The structure in rotational spectra of many free radical molecules is complicated by Jahn-Teller distortions. Understanding the magnitudes of these distortions is vital to determining the equilibrium geometric structure and details of potential energy surfaces predicted from electronic structure calculations. For example, in the recently studied {\\widetilde{A}^2E^{''} } state of the NO_3 radical, the magnitudes of distortions are yet to be well understood as results from experimental spectroscopic studies of its vibrational and rotational structure disagree with results from electronic structure calculations of the potential energy surface. By fitting either vibrationally resolved spectra or vibronic levels determined by a calculated potential energy surface, we obtain vibronic eigenfunctions for the system as linear combinations of basis functions from products of harmonic oscillators and the degenerate components of the electronic state. Using these vibronic eigenfunctions we are able to predict parameters in the rotational Hamiltonian such as the Watson Jahn-Teller distortion term, h_1, and compare with the results from the analysis of rotational experiments.

  13. Influence of static Jahn-Teller distortion on the magnetic excitation spectrum of PrO2: A synchrotron x-ray and neutron inelastic scattering study

    International Nuclear Information System (INIS)

    Webster, C. H.; Helme, L. M.; Boothroyd, A. T.; McMorrow, D. F.; Wilkins, S. B.; Detlefs, C.; Detlefs, B.; Bewley, R. I.; McKelvy, M. J.

    2007-01-01

    A synchrotron x-ray diffraction study of the crystallographic structure of PrO 2 in the Jahn-Teller distorted phase is reported. The distortion of the oxygen sublattice, which was previously ambiguous, is shown to be a chiral structure in which neighboring oxygen chains have opposite chiralities. A temperature dependent study of the magnetic excitation spectrum, probed by neutron inelastic scattering, is also reported. Changes in the energies and relative intensities of the crystal field transitions provide an insight into the interplay between the static and dynamic Jahn-Teller effects

  14. Jahn-Teller effect in molecular electronics: quantum cellular automata

    Science.gov (United States)

    Tsukerblat, B.; Palii, A.; Clemente-Juan, J. M.; Coronado, E.

    2017-05-01

    The article summarizes the main results of application of the theory of the Jahn-Teller (JT) and pseudo JT effects to the description of molecular quantum dot cellular automata (QCA), a new paradigm of quantum computing. The following issues are discussed: 1) QCA as a new paradigm of quantum computing, principles and advantages; 2) molecular implementation of QCA; 3) role of the JT effect in charge trapping, encoding of binary information in the quantum cell and non-linear cell-cell response; 4) spin-switching in molecular QCA based on mixed-valence cell; 5) intervalence optical absorption in tetrameric molecular mixed-valence cell through the symmetry assisted approach to the multimode/multilevel JT and pseudo JT problems.

  15. Off-center Jahn-Teller ion: coupled polar and tetragonal deformations

    International Nuclear Information System (INIS)

    Vikhnin, V.S.; Sochava, L.S.

    1979-01-01

    Models of the off-center Jahn-Teller ions are considered, i.e. Ni + in SrO and Cu 27 in SrO studied earlier. Models of the off-center Jahn-Teller ion are proposed, in which mutual effect of dipole-active deformations conditioning off-centering and the Jahn-Teller tetragonal deformations takes place. Manifestations of a new type of multipit potential XY 24 of an off-center ion are considered. The Jahn-Teller effect (JTE) is studied for a duplicate in cubic environment, unharmonism of the fourth order being taken into account. In such a model of Exe of JTE, the position and quantity of minima of adiabatic potential are changed as compared with Exe of JTE taking account of unharmonism of the third order or the square Jahn-Teller interaction. While using models of the off-center Jahn-Teller ion which take account of the effect of two tetragonal Jahn-Teller deformations occurring in the Exe problem considering unharmonism of the fourth order produced on dipole-active deformations, it becomes possible to explain the experiment for SrO:Ni +

  16. The Phenalenyl Free Radical - a Jahn-Teller D3H PAH

    Science.gov (United States)

    O'Connor, G. D.; Troy, T. P.; Roberts, D. A.; Chalyavi, N.; Fückel, B.; Crossley, M. J.; Nauta, K.; Schmidt, T. W.; Stanton, J. F.

    2012-06-01

    After benzene and naphthalene, the smallest polycyclic aromatic hydrocarbon bearing six-membered rings is the threefold-symmetric phenalenyl radical. Despite the fact that it is so fundamental, its electronic spectroscopy has not been rigorously scrutinized, in spite of growing interest in graphene fragments for molecular electronic applications. Here we used complementary laser spectroscopic techniques to probe the jet-cooled phenalenyl radical in vacuo. Its spectrum reveals the interplay between four electronic states that exhibit Jahn-Teller and pseudo-Jahn-Teller (Herzberg-Teller) vibronic coupling. The coupling mechanism has been elucidated by the application of various ab initio quantum-chemical techniques.

  17. Quantum friction of pseudorotation in Jahn-Teller system: Passage through conical intersection

    Energy Technology Data Exchange (ETDEWEB)

    Pae, Kaja, E-mail: kaja.pae@gmail.com; Hizhnyakov, Vladimir [Institute of Physics, University of Tartu, W. Ostwaldi 1, 50411 Tartu (Estonia)

    2016-08-14

    A theoretical study of the relaxation of an excited impurity center with strong E × e-type Jahn-Teller effect, caused by the emission of phonons to the bulk, is presented. The dependence of the passing the system through the conical intersection of the potential surface on the momentum of the pseudorotation is figured out. An analytical description of the quantum states of the conical intersection (Slonczewski resonances) is given. It is found that for realistic vibronic interactions with phonons, the characteristic time of the energy loss is several tenths of mean periods of phonons, i.e., it is in the picosecond range. It is also found that there is a finite probability of the speeding-up of the pseudorotation of the system at the intermediate stage of relaxation. In particular, this probability increases close to the Slonczewski resonances. During the relaxation, the system may change the direction of the pseudomoment; the probability of such a change also increases near the resonances.

  18. Jahn-Teller coupling at ND1 and GR1 centres in diamond

    International Nuclear Information System (INIS)

    Lowther, J.E.

    1978-01-01

    Stress parameters associated with the splitting of the GR1 and ND1 lines are examined in the light of the recent suggestion that ND1 arises from the negatively charged vacancy. The stress parameters are totally consistent with this interpretation; Jahn-Teller coupling in the excited states being similar for both centres. (author)

  19. Wave-Vector Dependence of the Jahn-Teller Interactions in TmVO4

    DEFF Research Database (Denmark)

    Kjems, Jørgen; Hayes, W.; Smith, S. H.

    1975-01-01

    The resonant Jahn-Teller coupling of the B2g acoustic phonon and the Zeeman-split ground doublet in TmVO4 has been studied by inelastic neutron scattering. Tuning of the magnetic field provides a means for investigating the wave-vector dependence of the interactions. We find that the coupling...

  20. Jahn Teller effect of cations in water: The cupric ion in water

    Energy Technology Data Exchange (ETDEWEB)

    Halley, J.W. [Minnesota Univ., Minneapolis, MN (United States). School of Physics and Astronomy; Wang, X.R. [Hong Kong Univ. of Science and Technology, Kowlon (Hong Kong). Dept. of Physics; Curtiss, L.A. [Argonne National Lab., IL (United States)

    1993-02-01

    We report a molecular dynamics model for the Jahn Teller effect in the solvation shell of a cation in solution in an aqueous liquid. We apply the model to the cupric ion and compare results with results of neutron scattering experiments on copper chlorate solutions. We conclude that the original interpretation of the experiments in terms of a Jan Teller effect may require modification.

  1. The T1u x 8 hg Jahn-Teller system - an improved model for the C60-molecule

    International Nuclear Information System (INIS)

    Rough, S.M.; Dunn, J.L.; Bates, C.A.

    1997-01-01

    The ground state of C 60 - gives rise to a T 1u x 8 h g Jahn-Teller (JT) system. A proof is presented showing that the presence of eight active h g modes rather than one makes little difference to the mathematical complexity of this problem compared to the simpler single-mode variant. After showing that the T 1u x 8 h g Jahn-Teller system has the same electronic eigenstates as the T 1u x h g Jahn-Teller system, the inversion splitting and first-order reduction factors are derived. (orig.)

  2. Jahn-Teller distortion in the phosphorescent excited state of three-coordinate Au(I) phosphine complexes.

    Science.gov (United States)

    Barakat, Khaldoon A; Cundari, Thomas R; Omary, Mohammad A

    2003-11-26

    DFT calculations were used to optimize the phosphorescent excited state of three-coordinate [Au(PR3)3]+ complexes. The results indicate that the complexes rearrange from their singlet ground-state trigonal planar geometry to a T-shape in the lowest triplet luminescent excited state. The optimized structure of the exciton contradicts the structure predicted based on the AuP bonding properties of the ground-state HOMO and LUMO. The rearrangement to T-shape is a Jahn-Teller distortion because an electron is taken from the degenerate e' (5dxy, 5dx2-y2) orbital upon photoexcitation of the ground-state D3h complex. The calculated UV absorption and visible emission energies are consistent with the experimental data and explain the large Stokes' shifts while such correlations are not possible in optimized models that constrained the exciton to the ground-state trigonal geometry.

  3. The influence of band Jahn-Teller effect and magnetic order on the magneto-resistance in manganite systems

    Energy Technology Data Exchange (ETDEWEB)

    Rout, G.C., E-mail: gcr@iopb.res.i [Condensed Matter Physics Group, Department of Applied Physics and Ballistics, F.M. University, Balasore, Orissa 756019 (India); Parhi, Nilima [Department of Physics, M.P.C. (Autonomous) College, Baripada, Orissa 757001 (India); Behera, S.N. [Institute of Material Science, Bhubaneswar 751004 (India)

    2009-08-01

    A model calculation is presented in order to study the magneto-resistivity through the interplay between magnetic and structural transitions for the manganite systems. The model consists of an orbitally doubly degenerate conduction band and a periodic array of local moments of the t{sub 2g} electrons. The band electrons interact with the local t{sub 2g} electrons via the s-f hybridization. The phonons interact with the band electrons through static and dynamic band Jahn-Teller (J-T) interaction. The model Hamiltonian including the above terms is solved for the single particle Green's functions and the imaginary part of the self-energy gives the electron relaxation time. Thus the magneto-resistivity (MR) is calculated from the Drude formula. The MR effect is explained near the magnetic and structural transition temperatures.

  4. The Jahn-Teller effect and its observation in titanium alum

    International Nuclear Information System (INIS)

    Tregenna Piggott, P.

    1996-01-01

    Full text: A fundamental assumption, often employed to problems in solid state physics, is that a system may be well described within the confines of the Born-Oppenheimer approximation. As a consequence of the substantial difference of masses, the electrons are assumed to follow the motion of the nuclei adiabatically; hence, the motion of the electrons and nuclei are solved separately. As Jahn and Teller showed in 1936, any non-linear molecule having orbital degeneracy will be unstable to at least one asymmetric displacement which lifts the degeneracy. The wave equation must then be solved taking into account coupling between the electronic and nuclear motion. The E x β system, an electronic doublet coupled to a single mode of vibration, is introduced as an elementary example and is used to illustrate features characteristic of Jahn-Teller systems. The E x ε system is discussed in conjunction with work currently being undertaken on CsTi(SO 4 ) 2 .12H 2 O. In this alum, the [Ti(OH 2 ) 6 ] 3 + cation (3d 1 ) is subject to an axial field which acts to leave a doubly degenerate electronic ground term. Spectroscopic and crystallographic data show the salt to undergo a phase transition at 12 K which we associate with a Co-operative Jahn-Teller Effect manifested by the interaction of the Jahn-Teller electrons with the crystal lattice. Also presented are EPR and SQUID data which illustrate how the Jahn-Teller effect leads to quenching of orbital angular momentum and spin-orbit coupling

  5. Effect of Jahn-Teller distortion on the short range magnetic order in copper ferrite

    Energy Technology Data Exchange (ETDEWEB)

    Abdellatif, M.H., E-mail: Mohamed.abdellatif@iit.it [Nanostrctures Department, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genova (Italy); Innocenti, Claudia [INSTM—Department of Chemistry, University of Florence, via della Lastruccia 3, I-50019 Sesto Fiorentino, FI (Italy); Liakos, Ioannis [Nanostrctures Department, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genova (Italy); Scarpellini, Alice; Marras, Sergio [Nanochemistry Department, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genova (Italy); Salerno, Marco [Nanostrctures Department, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genova (Italy)

    2017-02-15

    Copper ferrite of spinel crystal structure was synthesized in the form of nano-particles using citrate-gel auto-combustion method. The sample morphology and composition were identified using scanning electron microscopy, X-ray diffraction, and X-ray spectroscopy. The latter technique reveals an inverse spinel structure with Jahn-Teller tetragonal distortion. The static magnetization was measured using vibrating sample magnetometer. Magnetic force microscopy was used in combination with the magnetization data to demonstrate the finite size effect of the magnetic spins and their casting behavior due to the introduction of copper ions in the tetrahedral magnetic sub-lattices, which results in tetragonal distorting the spinel structure of the copper ferrite. The magnetic properties of materials are a result of the collective behavior of the magnetic spins, and magnetic force microscopy can probe the collective behavior of the magnetic spins in copper ferrite, yet providing a sufficient resolution to map the effects below the micrometer size scale, such as the magnetic spin canting. A theoretical study was done to clarify the finite size effect of Jahn-Teller distortion on the magnetic properties of the material. When the particles are in the nano-scale, below the single domain size, their magnetic properties are very sensitive to their size change. - Highlights: • The spin canting due to Jahn-Teller distortion in Copper ferrite can be detected using magnetic force microscope. • The contrast in the magnetic AFM image can be analyzed to give information not only about the surface spins but also about the canting of the core spins inside the aggregated cluster of magnetic nanoparticle.

  6. Quantum structural approach to high-Tc superconductivity theory: Herzberg-Teller, Renner-Teller, Jahn-Teller effects and intervalent geminal charge transfer

    International Nuclear Information System (INIS)

    Chiu, Y.

    1997-01-01

    We use quantum molecular structure and spectroscopic thoughts of various possible vibronic interactions for the position space of two-electron geminal orbitals with Bloch sums. Our geminals have different degeneracy from one-electron molecular orbitals and are different from the momentum space of BCS free electrons. Based on Herzberg-Teller expansions, our consideration of the aspect of the Renner-Teller effect for cyclic boundary crystals (instead of the usual linear molecules) involves first-order vibronic interaction with isotope effects different from the second-order electron-phonon energy of BCS theory, bipolaron theory, etc. Our consideration of the Jahn-Teller effect with equal-minimum double-well potential leads to the intervalent charge transfer between two degenerate vibrationally affected electronic structures. Our considerations of different style vibrations other than the antisymmetric vibration for the nearest neighbor (e.g., displaced oscillator, etc.) may possibly be related to the case of special chemical structures with special doping and special coherence length. Our simple structural illustrations of such different vibronic Renner-Teller, Jahn-Teller effects and intervalent charge transfer (of La 2-x Sr x CuO 4 and YBa 2 Cu 3 O 7-x ) may promote some possible thoughts of quantum chemical structures compared and mixed with the physical treatments of special high-T c superconductors. copyright 1997 The American Physical Society

  7. Contribution of Jahn-Teller and charge transfer excitations to the photovoltaic effect of manganite/titanite heterojunctions

    Science.gov (United States)

    Ifland, Benedikt; Hoffmann, Joerg; Kressdorf, Birte; Roddatis, Vladimir; Seibt, Michael; Jooss, Christian

    2017-06-01

    The effect of correlation effects on photovoltaic energy conversion at manganite/titanite heterojunctions is investigated. As a model system we choose a heterostructure consisting of the small polaron absorber Pr0.66Ca0.34MnO3 (PCMO) epitaxially grown on single-crystalline Nb-doped SrTi0.998Nb0.002O3 (STNO) substrates. The high structural and chemical quality of the interfaces is proved by detailed characterization using high-resolution transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS) studies. Spectrally resolved and temperature-dependent photovoltaic measurements show pronounced contributions of both the Jahn-Teller (JT) excitations and the charge transfer (CT) transitions to the photovoltaic effect at different photon energies. A linear temperature dependence of the open-circuit voltage for an excitation in the PCMO manganite is only observed below the charge-ordering temperature, indicating that the diffusion length of the photocarrier exceeds the size of the space charge region. The photovoltaic response is compared to that of a heterojunction of lightly doped Pr0.05Ca0.95MnO3 (CMO)/STNO, where the JT transition is absent. Here, significant contributions of the CT transition to the photovoltaic effect set in below the Neel temperature. We conclude that polaronic correlations and ordering effects are essentials for photovoltaic energy conversion in manganites.

  8. On the relation between Jahn-Teller ordering and charge ordering

    International Nuclear Information System (INIS)

    Eijndhoven, J.C.M van.

    1978-01-01

    This thesis compares the structures of KCusup(II)F 3 and Cs 2 Ausup(I)Ausup(III)Cl 6 . Both compounds have a structure that can be thought to result from a deformation of the cubic perovskite structure. The deformation of KCusup(II)F 3 is a result of a cooperative Jahn-Teller effect and the deformation of Cs 2 Ausup(I)Ausup(III)Cl 6 results in two sublattices. The structures of both compounds result from a continuous phase transition from the cubic pervskite structure due to a deformation of symmetry. Using local coordinates and a calculation of the electron-lattice interaction in a static approximation, four structure types were derived. One is the structure of Cs 2 AuAuCl 6 at ambient temperature and pressure and the second contains a group of structures corresponding to the structures found for KCuF 3 . The third structure type was recently suggested for Cs 2 AuAuCl 6 under pressure and the fourth has not been found experimentally. Two types show a Jahn-Teller ordering and the other two charge ordering (Auth./C.F.)

  9. The effect of band Jahn-Teller distortion on the magnetoresistivity of manganites: a model study

    International Nuclear Information System (INIS)

    Rout, G C; Panda, Saswati; Behera, S N

    2011-01-01

    We present a model study of magnetoresistance through the interplay of magnetisation, structural distortion and external magnetic field for the manganite systems. The manganite system is described by the Hamiltonian which consists of the s-d type double exchange interaction, Heisenberg spin-spin interaction among the core electrons, and the static and dynamic band Jahn-Teller (JT) interaction in the e g band. The relaxation time of the e g electron is found from the imaginary part of the Green's function using the total Hamiltonian consisting of the interactions due to the electron and phonon. The calculated resistivity exhibits a peak in the pure JT distorted insulating phase separating the low temperature metallic ferromagnetic phase and the high temperature paramagnetic phase. The resistivity is suppressed with the increase of the external magnetic field. The e g electron band splitting and its effect on magnetoresistivity is reported here. (paper)

  10. The effect of band Jahn-Teller distortion on the magnetoresistivity of manganites: a model study

    Energy Technology Data Exchange (ETDEWEB)

    Rout, G C [Condensed Matter Physics Group, P G Department of Applied Physics and Ballistics, F M University, Balasore 756 019 (India); Panda, Saswati [Trident Academy of Technology, F2/A, Chandaka Industrial Estate, Bhubaneswar 751 024 (India); Behera, S N, E-mail: gcr@iopb.res.in, E-mail: saswatip7@gmail.com [National Institute of Science and Technology, Palur Hills, Berhampur 761 008 (India)

    2011-10-05

    We present a model study of magnetoresistance through the interplay of magnetisation, structural distortion and external magnetic field for the manganite systems. The manganite system is described by the Hamiltonian which consists of the s-d type double exchange interaction, Heisenberg spin-spin interaction among the core electrons, and the static and dynamic band Jahn-Teller (JT) interaction in the e{sub g} band. The relaxation time of the e{sub g} electron is found from the imaginary part of the Green's function using the total Hamiltonian consisting of the interactions due to the electron and phonon. The calculated resistivity exhibits a peak in the pure JT distorted insulating phase separating the low temperature metallic ferromagnetic phase and the high temperature paramagnetic phase. The resistivity is suppressed with the increase of the external magnetic field. The e{sub g} electron band splitting and its effect on magnetoresistivity is reported here. (paper)

  11. Jahn-Teller effect in Rydberg series: A multi-state vibronic coupling problem

    International Nuclear Information System (INIS)

    Staib, A.; Domcke, W.; Sobolewski, A.L.

    1990-01-01

    Two simple limiting cases of Jahn-Teller (JT) coupling in Rydberg states of polyatomic molecules are considered, namely (i) JT coupling in Rydberg orbitals as well as in the ionization continuum (nondegenerate ion core, degenerate Rydberg series) and (ii) JT coupling in the ion core (degenerate ion core, nondegenerate Rydberg series). For both models simple and efficient algorithms for the computation of spectra (dynamical JT effect) are developed. The orbital JT effect is shown to represent a novel type of multi-state vibronic coupling, giving rise to interesting spectroscopic phenomena, among them resonant inter-Rydberg perturbations and JT induced autoionization. Particular attention is paid to the demonstration of the characteristic spectroscopic signatures of the two types of JT coupling in Rydberg states. (orig.)

  12. Jahn-Teller distortions, cation ordering and octahedral tilting in perovskites

    International Nuclear Information System (INIS)

    Lufaso, M.W.; Woodward, P.M.

    2004-01-01

    In transition metal oxides, preferential occupation of specific d orbitals on the transition metal ion can lead to the development of a long-range ordered pattern of occupied orbitals. This phenomenon, referred to as orbital ordering, is usually observed indirectly from the cooperative Jahn-Teller distortions (CJTDs) that result as a consequence of the orbital ordering. This paper examines the interplay between orbital ordering, octahedral tilting and cation ordering in perovskites. Both ternary AMX 3 perovskites containing an active Jahn-Teller (J-T) ion on the octahedral site and quaternary A 2 MM'X 6 perovskites containing a J-T ion on one-half of the octahedral sites have been examined. In AMX 3 perovskites, the tendency is for the occupied 3d 3x 2 -r 2 and 3d 3z 2 -r 2 orbitals to order in the ac plane, as exemplified by the crystal structures of LaMnO 3 and KCuF 3 . This arrangement maintains a favorable coordination environment for the anion sites. In AMX 3 perovskites, octahedral tilting tends to enhance the magnitude of the J-T distortions. In A 2 MM'X 6 perovskites, the tendency is for the occupied 3d 3z 2 -r 2 orbitals to align parallel to the c axis. This pattern maintains a favorable coordination environment about the symmetric M'-cation site. The orbital ordering found in rock-salt ordered A 2 MM'X 6 perovskites is compatible with octahedral rotations about the c axis (Glazer tilt system a 0 a 0 c - ) but appears to be incompatible with GdFeO 3 -type octahedral tilting (tilt system - b + a - ). (orig.)

  13. Synthesis under pressure and characterizations through optical spectroscopy of jahn-teller cations (LS Ni3+, is Co3+) as probes diluted in a perovskite matrix

    Science.gov (United States)

    Sanz-Ortiz, M. N.; Rodríguez, F.; Baranov, A.; Demazeau, G.

    2008-07-01

    The objective is to explore through optical spectroscopy and magnetic measurements the coordination and electronic structures of transition-metal ions introduced as impurities with unusual valence states in the oxide perovskite LaAlO3. The selected transition-metal ions Ni3+(3d7) and Co3+(3d6) are characterized by an electronic configuration likely leading to an orbital degenerate E state in Oh symmetry, and thus electron-lattice coupling due to the Jahn-Teller effect may induce low symmetry distortion around the impurity oxygen octahedron. We show that a sol-gel process followed by high oxygen pressure treatments yields stabilization of trivalent state in oxide perovskite. Information about the coordination, electronic structure and aggregation around the magnetic impurity was obtained from X-ray diffraction, FTIR and optical spectroscopy. Finally, evidence on the possible existence of intermediate spin state in Co3+ is under consideration.

  14. Synthesis under pressure and characterizations through optical spectroscopy of jahn-teller cations (LS Ni3+, is Co3+) as probes diluted in a perovskite matrix

    International Nuclear Information System (INIS)

    Sanz-Ortiz, M N; RodrIguez, F; Baranov, A; Demazeau, G

    2008-01-01

    The objective is to explore through optical spectroscopy and magnetic measurements the coordination and electronic structures of transition-metal ions introduced as impurities with unusual valence states in the oxide perovskite LaAlO 3 . The selected transition-metal ions Ni 3+ (3d 7 ) and Co 3+ (3d 6 ) are characterized by an electronic configuration likely leading to an orbital degenerate E state in Oh symmetry, and thus electron-lattice coupling due to the Jahn-Teller effect may induce low symmetry distortion around the impurity oxygen octahedron. We show that a sol-gel process followed by high oxygen pressure treatments yields stabilization of trivalent state in oxide perovskite. Information about the coordination, electronic structure and aggregation around the magnetic impurity was obtained from X-ray diffraction, FTIR and optical spectroscopy. Finally, evidence on the possible existence of intermediate spin state in Co 3+ is under consideration

  15. Jahn-Teller coupling of Cr2+ ion with degenerate modes in ZnS, ZnSe, and ZnTe crystals: microscopic treatment

    International Nuclear Information System (INIS)

    Natadze, A.L.; Ryskin, A.I.

    1980-01-01

    The Jahn-Teller (JT) interaction energy is calculated for 5 T 2 and 5 E states of the Cr 2+ ion in ZnS, ZnSe, and ZnTe crystals. The calculations are made within the framework of a particular microscopic model of the crystal field in the distorted crystal (model of point-like exchange charges), the multimode interaction is taken into account. For the 5 T 2 term the energies of interaction with tetragonal and trigonal modes are of the same order of magnitude. This circumstance results in a small height of the barriers that separate various minima of the adiabatic potential and is responsible for the dynamic aspect of the static JT effect in these systems. (author)

  16. Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer

    Science.gov (United States)

    Peters, William K.; Tiwari, Vivek; Jonas, David M.

    2017-11-01

    The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between

  17. Cyclopropenyl Anions: Carbon Tunneling or Diradical Formation? A Contest between Jahn-Teller and Hund.

    Science.gov (United States)

    Kozuch, Sebastian

    2015-07-14

    The π bond shifting (automerization) by carbon tunneling of cyclopropenyl anions was computationally analyzed by the small curvature tunneling methodology. Similar to other antiaromatic cases, the process is hindered by substituents departing from planarity, since these groups must be realigned along with the π bond shifting. With hydrogens as substituents the tunneling is extremely fast, in a case of both heavy and light atom tunneling. But, with more massive substituents (such as Me and F), and especially with longer groups (such as CN), the tunneling probability is reduced or even virtually canceled. The automerization of triphenylcyclopropyl anion by tunneling was supposed to be impossible due to the high mass of the phenyl groups. However, it was found that the ground state of this species is actually a D3h aromatic triplet, a single-well system that cannot undergo automerization. For this and other systems with π acceptor groups, the superposition of states that generates the second-order Jahn-Teller distortion is diminished, and by Hund's rule, the triplet results in the ground state.

  18. Pseudo-Jahn-Teller Distortion in Two-Dimensional Phosphorus: Origin of Black and Blue Phases of Phosphorene and Band Gap Modulation by Molecular Charge Transfer.

    Science.gov (United States)

    Chowdhury, Chandra; Jahiruddin, Sheik; Datta, Ayan

    2016-04-07

    Phosphorene (Pn) is stabilized as a layered material like graphite, yet it possess a natural direct band gap (Eg = 2.0 eV). Interestingly, unlike graphene, Pn exhibits a much richer phase diagram which includes distorted forms like the stapler-clip (black Pn, α form) and chairlike (blue Pn, β form) structures. The existence of these phases is attributed to pseudo-Jahn-Teller (PJT) instability of planar hexagonal P6(6-) rings. In both cases, the condition for vibronic instability of the planar P6(6-) rings is satisfied. Doping with electron donors like tetrathiafulvalene and tetraamino-tetrathiafulvalene and electron acceptors like tetracyanoquinodimethane and tetracyanoethylene convert blue Pn into N-type and black Pn into efficient P-type semiconductors, respectively. Interestingly, pristine blue Pn, an indirect gap semiconductor, gets converted into a direct gap semiconductor on electron or hole doping. Because of comparatively smaller undulation in blue Pn (with respect to black Pn), the van der Waals interactions between the dopants and blue Pn is stronger. PJT distortions for two-dimensional phosphorus provides a unified understanding of structural features and chemical reactivity in its different phases.

  19. Bcc and Fcc transition metals and alloys: a central role for the Jahn-Teller effect in explaining their ideal and distorted structures.

    Science.gov (United States)

    Lee, Stephen; Hoffmann, Roald

    2002-05-01

    Transition metal elements, alloys, and intermetallic compounds often adopt the body centered cubic (bcc) and face centered cubic (fcc) structures. By comparing quantitative density functional with qualitative tight-binding calculations, we analyze the electronic factors which make the bcc and fcc structures energetically favorable. To do so, we develop a tight-binding function, DeltaE(star), a function that measures the energetic effects of transferring electrons within wave vector stars. This function allows one to connect distortions in solids to the Jahn-Teller effect in molecules and to provide an orbital perspective on structure determining deformations in alloys. We illustrate its use by considering first a two-dimensional square net. We then turn to three-dimensional fcc and bcc structures, and distortions of these. Using DeltaE(star), we rationalize the differences in energy of these structures. We are able to deduce which orbitals are responsible for instabilities in seven to nine valence electron per atom (e(-)/a) bcc systems and five and six e(-)/a fcc structures. Finally we demonstrate that these results account for the bcc and fcc type structures found in both the elements and binary intermetallic compounds of group 4 through 9 transition metal atoms. The outline of a theory of metal structure deformations based on loss of point group operation rather than translational symmetry is presented.

  20. Synthetic, structural, spectroscopic and theoretical study of a Mn(III)-Cu(II) dimer containing a Jahn-Teller compressed Mn ion

    DEFF Research Database (Denmark)

    Berg, Nelly; Hooper, Thomas N.; Liu, Junjie

    2013-01-01

    The heterobimetallic complex [Cu(II)Mn(III)(L)(2)(py)(4)](ClO(4))·EtOH (1) built using the pro-ligand 2,2'-biphenol (LH(2)), contains a rare example of a Jahn-Teller compressed Mn(III) centre. Dc magnetic susceptibility measurements on 1 reveal a strong antiferromagnetic exchange between the Cu...

  1. Reduction of the Jahn-Teller distortion at the insulator-to-metal transition in mixed valence manganites

    International Nuclear Information System (INIS)

    Garcia-Munoz, J.L.; Suaaidi, M.; Fontcuberta, J.; Rodriguez-Carvajal, J.

    1997-01-01

    The insulator-to-metal transition in the manganite La 0.52 Y 0.15 Ca 0.33 MnO 3 (T IM ∼115 K) has been studied by high-resolution neutron powder diffraction. The cell volume contraction at the Curie point is accompanied by a remarkable decrease of the Jahn-Teller distortion in MnO 6 octahedra. The change of the Mn-O bond lengths at T IM is anisotropic and brings about a drop out of the basal-plane collective distortion mode Q 2 , proposed to be the deformation responsible for the band split of e g↑ orbitals. This is consistent with the double-exchange picture, and precludes simple ferromagnetic exchange. copyright 1997 The American Physical Society

  2. A study of cooperative Jahn-Teller phase transitions in rare-earth vanadates by linear birefringence

    International Nuclear Information System (INIS)

    Gehring, G.A.; Harley, R.T.; Macfarlane, R.M.

    1980-01-01

    Changes in linear birefringence (Δn) associated with the cooperative Jahn-Teller phase transition of DyV04 near 14K as as a function of temperature and magnetic fields, B, between 0.024 and 0.095T have been measured. Theoretical arguments show that Δn is directly proportional to the order parameter of the transition and that B(2) is equivalent to the conjugate ordering field. By extrapolation to zero field the temperature dependence of the order parameter and the susceptibility were obtained. The data are compared with calculations based on a mean-field 'compressible' Ising model. For a reasonable choice of adjustable parameters this classical description gives a good fit to the data close to Tsub(D) consistent with general theoretical arguments and more detailed calculations, but it deviates progressively away from Tsub(D) presumably because of the known importance of short-range interactions in the system. (author)

  3. Off-centre dynamic Jahn-Teller effect studied by electron spin relaxation of Cu2+ ions in SrF2 crystal

    International Nuclear Information System (INIS)

    Hoffmann, S.K.

    2000-01-01

    Temperature cw-EPR and pulsed EPR electron spin echo experiments were performed for a low concentration of Cu 2+ ions in cubic SrF 2 crystals. The well resolved EPR spectrum at low temperatures (below 30 K) with parameters g parallel = 2.493, g perpendicular = 2.083, A parallel = 121, A perpendicular = 8.7, A parallel ( 19 F) = 135, A parallel ( 19 F) = 33.0 (A-values in 10 -4 cm -1 ) is transformed continuously into a single broad line above 225 K on heating, due to the g-factor shift and EPR line broadening. These data along with the angular variation EPR data are described in terms of a pseudo-Jahn-Teller effect of (T 2g +A 2u )x(a 1g +e g +t 1u ) type producing six off-centre positions of the Cu 2+ ion in the fluorine cube. Above 30 K a two-step averaging g -factor process occurs and is governed by vibronic dynamics between potential wells of the off-centre positions. This dynamics governs the electron spin relaxation in the whole temperature range. The electron spin-lattice relaxation rate 1/T 1 grows rapidly by six orders of magnitude in the temperature range 30-100 K and is determined by the Orbach-type process with excitations to two excited vibronic levels of energy 83 and 174 cm -1 . For higher temperatures the relaxation is dominated by overbarrier jumps leading to the isotropic EPR spectrum above 225 K. The phase memory time T M has the rigid lattice value 3.5 μs determined by nuclear spectral diffusion and its temperature variation is governed by the vibronic dynamics indicating that the excitations between vibronic levels produce a dephasing of the electron spin precessional motion. (author)

  4. Jahn-Teller and Non-Jahn-Teller Systems Involving CuF64- Units: Role of the Internal Electric Field in Ba2ZnF6:Cu2+ and Other Insulating Systems

    DEFF Research Database (Denmark)

    Aramburu, J. A.; Garcia-Fernandez, P.; García Lastra, Juan Maria

    2017-01-01

    The applicability of the Jahn-Teller (JT) framework to 6-fold coordinated d9 ions whose local symmetry is not strictly octahedral is explored by means of first principle calculations. Our results contradict much of the existing literature where these systems are analyzed within the quasi-JT regime...... transitions for CuF64- units formed in Cu2+-doped the tetragonal Ba2ZnF6 host lattice. While the experimental d-d transitions cannot be reproduced through the isolated CuF64- unit at the equilibrium geometry, a reasonable agreement is reached adding in the calculation the internal electric field, ER...... state with the hole in the a1g(∼ 3z2-r2) level while it is always placed in the b1g(∼ x2-y2) level for MX6 complexes (M = Cu2+, Ag2+, NiΤ; X = F--, Cl-) in cubic lattices displaying a static JT effect. While the experimental results of CuF64- in Ba2ZnF6 cannot be understood within the JT framework...

  5. System Ba/sub 2/Znsub(1-x)Cusub(x)UO/sub 6/ - a vibrational spectroscopic proof of the Jahn Teller effect

    Energy Technology Data Exchange (ETDEWEB)

    Kemmler-Sack, S; Rother, H J [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie

    1979-01-01

    The ordered perovskites Ba/sub 2/ZnUO/sub 6/ (cubic, space group Fm3m) and Ba/sub 2/CuUO/sub 6/ (tetragonal, space group I/sub 4//mmm) form solid solutions. For small Cu content the lattice symmetry is cubic, with x>=0.25 an increasing tetragonal distortion (c/a ..sqrt..2 > 1) is observed. From the vibrational spectra and in accordance with the factor group analysis the symmetry of the UO/sub 6/ octahedra is for small Cu content Osub(h) and on the Cu-rich side Dsub(4h). In the region of the lattice vibrations (T/sub 2/ field) the lifting of the degeneracy - due to the Jahn Teller effect of Cu/sup 2 +/ - leads to a band separation, which decreases with sinking copper content. Therefore the Jahn Teller effect is easily noticeable with vibrational spectroscopic methods. In the corresponding series with Wsup(VI) the vibrational spectroscopic investigations lead qualitatively to the same results as in the Usup(VI) system. As further examples the stacking polytypes Ba/sub 2/ZnTeO/sub 6/ and Ba/sub 2/CuTeO/sub 6/ are considered. The vibrational spectra show, that the Jahn Teller effect in this lattice, which is strengthened by partial face-sharing of octahedra, is less pronounced than in the perovskites in which only corner-sharing is present.

  6. Modulation of Jahn-Teller effect on magnetization and spontaneous electric polarization of CuFeO2

    Science.gov (United States)

    Xiao, Guiling; Xia, Zhengcai; Wei, Meng; Huang, Sha; Shi, Liran; Zhang, Xiaoxing; Wu, Huan; Yang, Feng; Song, Yujie; Ouyang, Zhongwen

    2018-03-01

    CuFe0.99Mn0.01O2 and CuFe0.99Co0.01O2 single crystal samples are grown by a floating zone technique and their magnetization and spontaneous electric polarization have been investigated. Similarly with pure CuFeO2, an obviously anisotropic magnetization and spontaneous electric polarization were observed in the both doped samples, and their phase transition critical fields and temperatures are directly doping ion dependent. Considering the different d-shell configuration and ionic size between Mn3+, Co3+ and Fe3+ ions, in which the Mn3+ ion with Jahn-Teller (J-T) effect has different distortion on the geometry frustration from both of Fe3+ and Co3+ ion. Since for Mn3+ ion, the orbital splitting results from the low-symmetry J-T distortion in a crystal-field environment leads to a distorted MnO6 octahedron, which different from undistorted FeO6 and CoO6 octahedrons. The strain between distorted and undistorted octahedrons produces different effects on the spin reorientation transition and spontaneous electric polarization. Although the pure CuFeO2 has a very strong and robust frustration, the presence of the strain due to the random distribution of distorted MnO6 octahedron and undistorted CoO6 (FeO6) octahedrons leads to its spin reorientation transitions and spontaneous electric polarization different from CuFeO2.

  7. Electronic Correlations, Jahn-Teller Distortions and Mott Transition to Superconductivity in Alkali-C60 Compounds

    Directory of Open Access Journals (Sweden)

    Alloul H.

    2012-03-01

    Full Text Available The discovery in 1991 of high temperature superconductivity (SC in A3C60 compounds, where A is an alkali ion, has been rapidly ascribed to a BCS mechanism, in which the pairing is mediated by on ball optical phonon modes. While this has lead to consider that electronic correlations were not important in these compounds, further studies of various AnC60 with n=1, 2, 4 allowed to evidence that their electronic properties cannot be explained by a simple progressive band filling of the C60 six-fold degenerate t1u molecular level. This could only be ascribed to the simultaneous influence of electron correlations and Jahn-Teller Distortions (JTD of the C60 ball, which energetically favour evenly charged C60 molecules. This is underlined by the recent discovery of two expanded fulleride Cs3C60 isomeric phases which are Mott insulators at ambient pressure. Both phases undergo a pressure induced first order Mott transition to SC with a (p, T phase diagram displaying a dome shaped SC, a common situation encountered nowadays in correlated electron systems. NMR experiments allowed us to study the magnetic properties of the Mott phases and to evidence clear deviations from BCS expectations near the Mott transition. So, although SC involves an electron-phonon mechanism, the incidence of electron correlations has an importance on the electronic properties, as had been anticipated from DMFT calculations.

  8. Conduction band-edge d-states in high-k dielectrics due to Jahn-Teller term splittings

    International Nuclear Information System (INIS)

    Lucovsky, G.; Fulton, C.C.; Zhang, Y.; Luning, J.; Edge, L.; Whitten, J.L.; Nemanich, R.J.; Schlom, D.G.; Afanase'v, V.V.

    2005-01-01

    X-ray absorption spectroscopy (XAS) is used to study conduction band edge electronic structure of high-k transition metal (TM) and trivalent lanthanide series rare earth (RE) oxide dielectrics. Empty TM/RE d-states are studied by intra-atomic transitions originating in core level spin-orbit split p-states, and conduction band states are studied in inter-atomic transitions which originate in the oxygen atom 1s core level state. In non-crystalline Zr and Hf silicate alloys, the local bonding symmetry, or crystal field splits these d-states into doubly and triply degenerate features. In nano-crystalline oxides, there are additional d-state splittings due to contributions of more distant neighbors that completely remove d-state degeneracies via the Jahn-Teller effect mechanism. This gives rise to highly localized band edge states that are electronically active in photoconductivity, internal photoemission, and act as bulk traps in metal oxide semiconductor (MOS) devices

  9. Fine structure of V2+ energy levels in CsCaF3:V2+

    International Nuclear Information System (INIS)

    Avram, C.N.; Brik, M.G.

    2004-01-01

    Theoretical investigations of the fine structure of the lasing 4 T 2g level in a CsCaF 3 :V 2+ crystal were carried out. The spin-orbit splitting of the 4 T 2g term in the static low crystal field was obtained from the Eisenstein matrices and using parameters (Dq, B, C, ζ SO ) appropriate for the 4 T 2g - 4 A 2g zero-phonon line. The 4 T 2g spinor splitting has been modeled by the second-order spin-orbit Hamiltonian. The effect of the dynamical Jahn-Teller interaction on the spin-orbit splitting of the 4 T 2g term was taken into account; the Jahn-Teller stabilization energy, ZPL splitting and the Huang-Rhys parameter for the e g normal mode were all evaluated

  10. Ab initio theory of spin-orbit coupling for quantum bits in diamond exhibiting dynamic Jahn-Teller effect

    Science.gov (United States)

    Gali, Adam; Thiering, Gergő

    Dopants in solids are promising candidates for implementations of quantum bits for quantum computing. In particular, the high-spin negatively charged nitrogen-vacancy defect (NV) in diamond has become a leading contender in solid-state quantum information processing. The initialization and readout of the spin is based on the spin-selective decay of the photo-excited electron to the ground state which is mediated by spin-orbit coupling between excited states states and phonons. Generally, the spin-orbit coupling plays a crucial role in the optical spinpolarization and readout of NV quantum bit (qubit) and alike. Strong electron-phonon coupling in dynamic Jahn-Teller (DJT) systems can substantially influence the effective strength of spin-orbit coupling. Here we show by ab initio supercell density functional theory (DFT) calculations that the intrinsic spin-orbit coupling is strongly damped by DJT effect in the triplet excited state that has a consequence on the rate of non-radiative decay. This theory is applied to the ground state of silicon-vacancy (SiV) and germanium-vacancy (GeV) centers in their negatively charged state that can also act like qubits. We show that the intrinsic spin-orbit coupling in SiV and GeV centers is in the 100 GHz region, in contrast to the NV center of 10 GHz region. Our results provide deep insight in the nature of SiV and GeV qubits in diamond. EU FP7 DIADEMS project (Contract No. 611143).

  11. E x circle epsilon Jahn-Teller anharmonic coupling for an octahedral system

    CERN Document Server

    Avram, N M; Kibler, M R

    2001-01-01

    The coupling between doubly degenerate electronic states and doubly degenerate vibrations is analyzed for an octahedral system on the basis of the introduction of an anharmonic Morse potential for the vibronic part. The vibrations are described by anharmonic coherent states and their linear coupling with the electronic states is considered. The matrix elements of the vibronic interaction are built and the energy levels corresponding to the interaction Hamiltonian are derived.

  12. Generalized Born-Oppenheimer treatment of Jahn-Teller systems in Hilbert spaces of arbitrary dimension: theory and application to a three-state model potential.

    Science.gov (United States)

    Varandas, A J C; Sarkar, B

    2011-05-14

    Generalized Born-Oppenheimer equations including the geometrical phase effect are derived for three- and four-fold electronic manifolds in Jahn-Teller systems near the degeneracy seam. The method is readily extendable to N-fold systems of arbitrary dimension. An application is reported for a model threefold system, and the results are compared with Born-Oppenheimer (geometrical phase ignored), extended Born-Oppenheimer, and coupled three-state calculations. The theory shows unprecedented simplicity while depicting all features of more elaborated ones.

  13. Aggregate frequency width, nuclear hyperfine coupling and Jahn-Teller effect of Cu2+ impurity ion ESR in SrLaAlO4 dielectric resonator at 20 millikelvin

    Science.gov (United States)

    Hosain, M. A.; Le Floch, J.-M.; Krupka, J.; Tobar, M. E.

    2018-01-01

    The impurity paramagnetic ion, Cu2+ substitutes Al in the SrLaAlO4 single crystal lattice, this results in a CuO6 elongated octahedron, and the resulting measured g-factors satisfy four-fold axes variation condition. The aggregate frequency width of the electron spin resonance with the required minimum level of impurity concentration has been evaluated in this single crystal SrLaAlO4 at 20 millikelvin. Measured parallel hyperfine constants, A\\Vert Cu , were determined to be -155.7×10-4~cm-1, ~ -163.0×10-4~cm-1, ~ -178.3×10-4~cm-1 and -211.1×10-4~cm-1 at 9.072~GHz~(WGH4, 1, 1) for the nuclear magnetic quantum number M_I=+\\frac{3}{2}, +\\frac{1}{2}, -\\frac{1}{2} , and -\\frac{3}{2} respectively. The anisotropy of the hyperfine structure reveals the characteristics of the static Jahn-Teller effect. The second-order-anisotropy term, ˜ (\\fracspin{-orbit~coupling}{10D_q}){\\hspace{0pt}}2 , is significant and cannot be disregarded, with the local strain dominating over the observed Zeeman-anisotropy-energy difference. The Bohr electron magneton, β=9.23× 10-24 JT-1 , (within -0.43% so-called experimental error) has been found using the measured spin-Hamiltonian parameters. Measured nuclear dipolar hyperfine structure parameter P\\Vert=12.3×10-4~cm-1 shows that the mean inverse third power of the electron distance from the nucleus is ≃ 5.23 a.u. for Cu2+ ion in the substituted Al3+ ion site assuming nuclear electric quadruple moment Q=-0.211 barn.

  14. Jahn-Teller glass formation in beta-lithium ammonium sulfate monocrystals studied by means of the electron paramagnetic resonance of Mn sup 2 sup + and Cu sup 2 sup + ions

    CERN Document Server

    Waplak, S

    2002-01-01

    The EPR (electron paramagnetic resonance) spectra of non-Jahn-Teller (JT) Mn sup 2 sup + and JT Cu sup 2 sup + ions have been studied for alpha- or beta-LAS structure modification in the temperature range of 4.2-480 K. The experimental evidence for JT glass with frozen-in random strain fields due to the presence of the JT Cu sup 2 sup + ions is presented.

  15. An EPR investigation of the dynamic Jahn-Teller effect in SrCl2:y(2 plus) and SrCl2:Sc(2 plus)

    Science.gov (United States)

    Herrington, J. R.; Estle, T. L.; Boatner, L. A.

    1972-01-01

    EPR spectra have been observed for SrCl2:Y(2+) and SrCl2:Sc(2+) at liquid helium temperatures. At 1.2 K the spectra were dominated by anisotropic hyperfine patterns whose lineshapes and angular dependences were explained using second order solutions of the effective Hamiltonian for an isolated 2Eg state split by large random internal strains. Pronounced asymmetries in some of the strin produced lineshapes for Srcl2:Sc(2+) are shown to result from second order terms in the solution of the effective Hamiltonian. Coexisting with the anisotropic hyperfine patterns are weak nearly isotropic hyperfine patterns with typical lineshapes. Variations in the apparent intensity of lines in these weak hyperfine patterns as functions of the applied magnetic field direction and temperature imply that these lines result from averaging by vibronic relaxation of a portion of the anisotropic pattern. The effective Hamiltonian parameters for SrCl2:La(2+), SrCl2:y(2+), and SrCl2:SC(2+) are analyzed in terms of crystal field theory modified to include a dynamic Jahn-Teller effect.

  16. Variation of the Jahn-Teller distortion with pressure in the layered perovskite Rb{sub 2}CuCl{sub 4}: local and crystal compressibilities

    Energy Technology Data Exchange (ETDEWEB)

    Aguado, F [DCITIMAC, Facultad de Ciencias, Universidad de Cantabria, Santander 39005 (Spain); RodrIguez, F [DCITIMAC, Facultad de Ciencias, Universidad de Cantabria, Santander 39005 (Spain); Valiente, R [Departamento de Fisica Aplicada, Universidad de Cantabria, Santander 39005 (Spain); Hanfland, M [ESRF, BP220, 156 rue des Martires, 38043 Grenoble Cedex (France); Itie, J P [Universite Pierre et Marie Curie, B77 4 Place Jussieu 75252 Paris Cedex 05 (France)

    2007-08-29

    This work investigates the effect of pressure on the Jahn-Teller distortion (JTD) associated with the axially elongated CuCl{sub 6} octahedra in the A{sub 2}CuCl{sub 4} perovskite layer (A: Rb, CH{sub 3}NH{sub 3}, C{sub 2}H{sub 5}NH{sub 3}, C{sub 3}H{sub 7}NH{sub 3}). The aim is to elucidate whether pressure favours disappearance of the JTD in the antiferrodistortive (AFD) structure exhibited by Cu{sup 2+} within the layers or whether it induces tilts of the CuCl{sub 6} octahedra preserving the molecular distortion associated with the JT effect. We have carried out x-ray absorption (XAS) and x-ray diffraction (XRD) experiments under pressure along the compound series, whose interlayer distances at ambient pressure vary from 7.77 to 12.33 A. The use of both XAS and XRD techniques allows us a complete local- and crystal-structure characterization in Rb{sub 2}CuCl{sub 4} as a function of pressure in the 0-16 GPa range. We show that pressure reduces the axial (long) and equatorial (short) Cu-Cl distances, R{sub ax} and R{sub eq}, as well as the intralayer and interlayer Cu-Cu distances, d{sub Cu-Cu} and d{sub inter}. Interestingly, the variation of R{sub ax} is an order of magnitude bigger than that of the corresponding R{sub eq}, yielding a reduction of the JTD. However, no evidence of JTD suppression has been observed below 16 GPa. Pressure-induced CuCl{sub 6} tilting preserves the JTD in a wide pressure range. Estimates based on structural data suggest that JT suppression would occur at about 40 GPa.

  17. Variation of the Jahn-Teller distortion with pressure in the layered perovskite Rb2CuCl4: local and crystal compressibilities

    International Nuclear Information System (INIS)

    Aguado, F; RodrIguez, F; Valiente, R; Hanfland, M; Itie, J P

    2007-01-01

    This work investigates the effect of pressure on the Jahn-Teller distortion (JTD) associated with the axially elongated CuCl 6 octahedra in the A 2 CuCl 4 perovskite layer (A: Rb, CH 3 NH 3 , C 2 H 5 NH 3 , C 3 H 7 NH 3 ). The aim is to elucidate whether pressure favours disappearance of the JTD in the antiferrodistortive (AFD) structure exhibited by Cu 2+ within the layers or whether it induces tilts of the CuCl 6 octahedra preserving the molecular distortion associated with the JT effect. We have carried out x-ray absorption (XAS) and x-ray diffraction (XRD) experiments under pressure along the compound series, whose interlayer distances at ambient pressure vary from 7.77 to 12.33 A. The use of both XAS and XRD techniques allows us a complete local- and crystal-structure characterization in Rb 2 CuCl 4 as a function of pressure in the 0-16 GPa range. We show that pressure reduces the axial (long) and equatorial (short) Cu-Cl distances, R ax and R eq , as well as the intralayer and interlayer Cu-Cu distances, d Cu-Cu and d inter . Interestingly, the variation of R ax is an order of magnitude bigger than that of the corresponding R eq , yielding a reduction of the JTD. However, no evidence of JTD suppression has been observed below 16 GPa. Pressure-induced CuCl 6 tilting preserves the JTD in a wide pressure range. Estimates based on structural data suggest that JT suppression would occur at about 40 GPa

  18. Eu/RG absorption and excitation spectroscopy in the solid rare gases: state dependence of crystal field splitting and Jahn-Teller coupling.

    Science.gov (United States)

    Byrne, Owen; McCaffrey, John G

    2011-03-28

    Absorption spectroscopy recorded for annealed samples of matrix-isolated atomic europium reveals a pair of thermally stable sites in Ar and Kr while a single site exists in Xe. Plots of the matrix shifts of the visible s → p bands versus host polarizability, allowed the association of the single site in Xe and the blue sites in Ar and Kr. On the basis of the similar ground state bond lengths expected for the Eu-rare gas (RG) diatomics and the known Na-RG molecules, the blue sites are attributed to Eu occupancy in the smaller tetra-vacancy while the red sites are proposed to arise from hexa-vacancy sites. Both sites are of cubic symmetry, consistent with the pronounced Jahn-Teller structure present on the y(8)P ← a(8)S(7/2) transition for these bands in the three hosts studied. Site-selective excitation spectroscopy has been used to reanalyze complex absorption spectra previously published by Jakob et al. [Phys. Lett. A 57, 67 (1976)] for the near-UV f → d transitions. On the basis that a pair of thermally stable sites exist in solid argon, the occurrence of crystal field splitting has been identified to occur for the J ≥ 5/2 level of the (8)P state when isolated in these two sites with cubic symmetry. From a detailed lineshape analysis, the magnitude of the crystal field splittings on the J = 5/2 level in Ar is found to be 105 and 123 cm(-1) for the red and blue sites, respectively.

  19. A Genuine Jahn-Teller System with Compressed Geometry and Quantum Effects Originating from Zero-Point Motion

    DEFF Research Database (Denmark)

    Aramburu, José Antonio; García-Fernández, Pablo; García Lastra, Juan Maria

    2016-01-01

    that the anomalous positive g∥ shift (g∥−g0=0.065) measured at T=20 K obeys the superposition of the |3 z2−r2⟩ and |x2−y2⟩ states driven by quantum effects associated with the zero-point motion, a mechanism first put forward by O'Brien for static Jahn–Teller systems and later extended by Ham to the dynamic Jahn...... of the calculated energy barriers for different Jahn–Teller systems allowed us to explain the origin of the compressed geometry observed for CaO:Ni+....

  20. THE SYMMETRY BREAKING PHENOMENON IN 1,2,3-TRIOXOLENE AND C2Y3Z2 (Z= O, S, Se, Te, Z= H, F COMPOUNDS: A PSEUDO JAHN-TELLER ORIGIN STUDY

    Directory of Open Access Journals (Sweden)

    Ali Reza Ilkhani

    Full Text Available 1,2,3-Trioxolene (C2O3H2 is an intermediate in the acetylene ozonolysis reaction which is called primary ozonide intermediate. The symmetry breaking phenomenon were studied in C2O3H2 and six its derivatives then oxygen atoms of the molecule are substituted by sulphur, selenium, tellurium (C2Y3H2 and hydrogen ligands are replaced with fluorine atoms (C2Y3F2. Based on calculation results, all seven C2Y3Z2 considered in the series were puckered from unstable planar configuration with C2v symmetry to a Cs symmetry stable geometry. The vibronic coupling interaction between the 1A1 ground state and the first excited state 1B1 via the (1A1+1B1 ⊗b1 pseudo Jahn-Teller effect problem is the reason of the breaking symmetry phenomenon and un-planarity of the C2Y3 ring in the C2Y3Z2 series.

  1. α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8: new quaternary mixed metal oxides composed of only second-order Jahn-Teller distortive cations.

    Science.gov (United States)

    Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min

    2013-10-07

    Three new quaternary scandium vanadium selenium/tellurium oxides, α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8 have been synthesized through hydrothermal and standard solid-state reactions. Although all three reported materials are stoichiometrically similar, they exhibit different crystal structures: α-ScVSe2O8 has a three-dimensional framework structure consisting of ScO6, VO6, and SeO3 groups. β-ScVSe2O8 reveals another three-dimensional framework composed of ScO7, VO5, and SeO3 polyhedra. ScVTe2O8 shows a layered structure with ScO6, VO4, and TeO4 polyhedra. Interestingly, the constituent cations, that is, Sc(3+), V(5+), Se(4+), and Te(4+) are all in a distorted coordination environment attributable to second-order Jahn-Teller (SOJT) effects. Complete characterizations including infrared spectroscopy, elemental analyses, thermal analyses, dipole moment calculation, and the magnitudes of out-of-center distortions for the compounds are reported. Transformation reactions suggest that α-ScVSe2O8 may change to β-ScVSe2O8, and then to Sc2(SeO3)3·H2O under hydrothermal conditions.

  2. Effects of hydrostatic pressure and temperature on the electron paramagnetic resonance spectrum of off-centre Jahn-Teller [CuF sub 4 F sub 4] sup 6 sup - complexes in SrF sub 2 crystal

    CERN Document Server

    Ulanov, V A; Hoffmann, S K; Zaripov, M M

    2003-01-01

    Pressure and temperature variations of the spin-Hamiltonian parameters and electron paramagnetic resonance (EPR) linewidths of non-central Jahn-Teller [CuF sub 4 F sub 4] sup 6 sup - complexes in SrF sub 2 crystal were studied by continuous-wave EPR. It was found that the static spin-Hamiltonian parameters, found at T = 85 K and at normal pressure (g sub | sub | = 2.491, g sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r = 2.083, a sub p sub a sub r sub a sub l sub l sub e sub l = 360, a sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r = 26, A sub x sub ' sub ' = 96, A sub y sub ' sub ' = 99, A sub z sub ' sub ' = 403 and beta sub e sub x sub p = 17 diameter), are slightly changed with hydrostatic pressure and, at T = 85 K and P = 550 MPa, become equal to g sub | sub | = 2.489, g sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r = 2.083, a sub | sub | 348, a sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l s...

  3. Jahn-Teller effect in van der Waals complexes; Ar-C6H6 + and Ar-C6D6 +.

    NARCIS (Netherlands)

    Avoird, A. van der; Lotrich, VF

    2004-01-01

    The two asymptotically degenerate potential energy surfaces of argon interacting with the X (2)E(1g) ground state benzene(+) cation were calculated ab initio from the interaction energy of the neutral Ar-benzene complex given by Koch et al. [J. Chem. Phys. 111, 198 (1999)] and the difference of the

  4. Cu2+ Dual-Doped Layer-Tunnel Hybrid Na0.6Mn1- xCu xO2 as a Cathode of Sodium-Ion Battery with Enhanced Structure Stability, Electrochemical Property, and Air Stability.

    Science.gov (United States)

    Chen, Ting-Ru; Sheng, Tian; Wu, Zhen-Guo; Li, Jun-Tao; Wang, En-Hui; Wu, Chun-Jin; Li, Hong-Tai; Guo, Xiao-Dong; Zhong, Ben-He; Huang, Ling; Sun, Shi-Gang

    2018-03-28

    Sodium-ion batteries (SIBs) have been regarded as a promising candidate for large-scale renewable energy storage system. Layered manganese oxide cathode possesses the advantages of high energy density, low cost and natural abundance while suffering from limited cycling life and poor rate capacity. To overcome these weaknesses, layer-tunnel hybrid material was developed and served as the cathode of SIB, which integrated high capacity, superior cycle ability, and rate performance. In the current work, the doping of copper was adopted to suppress the Jahn-Teller effect of Mn 3+ and to affect relevant structural parameters. Multifunctions of the Cu 2+ doping were carefully investigated. It was found that the structure component ratio is varied with the Cu 2+ doping amount. Results demonstrated that Na + /vacancy rearrangement and phase transitions were suppressed during cycling without sacrificing the reversible capacity and enhanced electrochemical performances evidenced with 96 mA h g -1 retained after 250 cycles at 4 C and 85 mA h g -1 at 8 C. Furthermore, ex situ X-ray diffraction has demonstrated high reversibility of the Na 0.6 Mn 0.9 Cu 0.1 O 2 cathode during Na + extraction/insertion processes and superior air stability that results in better storage properties. This study reveals that the Cu 2+ doping could be an effective strategy to tune the properties and related performances of Mn-based layer-tunnel hybrid cathode.

  5. Composition-dependent properties and phase stability of Fe-Pd ferromagnetic shape memory alloys: A first-principles study

    Science.gov (United States)

    Li, Chun-Mei; Hu, Yan-Fei

    2017-12-01

    The composition-dependent properties and their correlation with the phase stability of Fe75+xPd25-x (- 10.0 ≤x ≤10.0 ) alloys are systematically investigated by using first-principles exact muffin-tin orbitals (EMTO)-coherent potential approximation (CPA) calculations. It is shown that the martensitic transformation (MT) from L 12 to body-centered-tetragonal (bct) occurs in the ordered alloys with about -5.0 ≤x ≤10.0 . In both the L 12 and bct phases, the evaluated a and c/a agree well with the available experimental data; the average magnetic moment per atom increases whereas the local magnetic moments of Fe atoms, dependent on both their positions and the structure of the alloy, decrease with increasing x. The tetragonal shear elastic constant of the L 12 phase ( C ' ) decreases whereas that of the bct phase (Cs) increases with x. The tetragonality of the martensite ( |1 -c /a | ) increases whereas its energy relative to the austenite with a negative value decreases with Fe addition. All these effects account for the increase of MT temperature (TM) with x. The MT from L 12 to bct is finally confirmed originating from the splitting of Fe 3d Eg and T2 g bands upon tetragonal distortion due to the Jahn-Teller effect.

  6. Energy balance and stability

    International Nuclear Information System (INIS)

    Hammer, R.

    1982-01-01

    The energy balance of the outer atmospheres of solarlike stars is discussed. The energy balance of open coronal regions is considered, discussing the construction and characteristics of models of such regions in some detail. In particular, the temperature as a function of height is considered, as are the damping length dependence of the global energy balance in the region between the base of the transition region and the critical point, and the effects of changing the amount of coronal heating, the stellar mass, and the stellar radius. Models of coronal loops are more briefly discussed. The chromosphere is then included in the discussion of the energy balance, and the connection between global energy balance and global thermal stability is addressed. The observed positive correlations between the chromospheric and coronal energy losses and the pressure of the transition region is qualitatively explained

  7. Jahn-teller domains and magnetic domains in Mn2FeO4

    NARCIS (Netherlands)

    Kub, J.; Brabers, V.A.M.; Novák, P.; Gemperle, R.; Simsova, J.

    2000-01-01

    Elastic (Jahn–Teller) domains and magnetic domains in the tetragonal spinel Mn2FeO4 were studied using X-ray double-crystal topography, X-ray diffractometry and the colloid-SEM method. The Jahn–Teller domains of the measured samples are tetragonal with the [0 0 1] c-axis alternating perpendicularly

  8. Energy, stability and cosmological constant

    International Nuclear Information System (INIS)

    Deser, S.

    1982-01-01

    The definition of energy and its use in studying stability in general relativity are extended to the case when there is a nonvanishing cosmological constant Λ. Existence of energy is first demonstrated for any model (with arbitrary Λ). It is defined with respect to sets of solutions tending asymptotically to any background space possessing timelike Killing symmetry, and is both conserved and of flux integral form. When Λ O, small excitations about De Sitter space are stable inside the event horizon. Outside excitations can contribute negatively due to the Killing vector's flip at the horizon. This is a universal phenomenon associated with the possibility of Hawking radiation. Apart from this effect, the Λ>O theory appears to be stable, also at the semi-classical level. (author)

  9. Challenges to a climate stabilizing energy future

    International Nuclear Information System (INIS)

    Green, C.; Dilmaghani, M.; Baksi, S.

    2007-01-01

    The paper surveys the major challenges to stabilizing the atmospheric CO 2 concentration. Climate change, and policies to deal with it, is viewed as an energy problem. The energy problem stems from the fact that no combination of carbon-free energies is currently capable of displacing fossil fuels as the main sources of the world's base load energy requirements. The paper provides rough estimates of the amount of carbon-free energy required to stabilize climate, the potential contribution of 'conventional' carbon-free energies, the contribution of renewable energies, and the size of an 'advanced energy technology gap'. The findings indicate that stabilizing CO 2 concentration will require a long-term commitment to research, develop, and eventually deploy new energy sources and technologies including hydrogen. The paper suggests that the role of technology is what makes stabilizing CO 2 concentration economically feasible. In this respect energy technology and economics are complementary, with advances in the former requiring something more than a reliance on market-based instruments, such as carbon taxes and emission permits. The analysis has implications for the credibility of commitments to target climate change-related factors such as CO 2 emissions.(author)

  10. Challenges to a climate stabilizing energy future

    International Nuclear Information System (INIS)

    Green, Chris; Baksi, Soham; Dilmaghani, Maryam

    2007-01-01

    The paper surveys the major challenges to stabilizing the atmospheric CO 2 concentration. Climate change, and policies to deal with it, is viewed as an energy problem. The energy problem stems from the fact that no combination of carbon-free energies is currently capable of displacing fossil fuels as the main sources of the world's base load energy requirements. The paper provides rough estimates of the amount of carbon-free energy required to stabilize climate, the potential contribution of 'conventional' carbon-free energies, the contribution of renewable energies, and the size of an 'advanced energy technology gap'. The findings indicate that stabilizing CO 2 concentration will require a long-term commitment to research, develop, and eventually deploy new energy sources and technologies including hydrogen. The paper suggests that the role of technology is what makes stabilizing CO 2 concentration economically feasible. In this respect energy technology and economics are complementary, with advances in the former requiring something more than a reliance on market-based instruments, such as carbon taxes and emission permits. The analysis has implications for the credibility of commitments to target climate change-related factors such as CO 2 emissions

  11. Neutrino dark energy. Revisiting the stability issue

    Energy Technology Data Exchange (ETDEWEB)

    Eggers Bjaelde, O.; Hannestad, S. [Aarhus Univ. (Denmark). Dept. of Physics and Astronomy; Brookfield, A.W. [Sheffield Univ. (United Kingdom). Dept. of Applied Mathematics and Dept. of Physics, Astro-Particle Theory and Cosmology Group; Van de Bruck, C. [Sheffield Univ. (United Kingdom). Dept. of Applied Mathematics, Astro-Particle Theory and Cosmology Group; Mota, D.F. [Heidelberg Univ. (Germany). Inst. fuer Theoretische Physik]|[Institute of Theoretical Astrophysics, Oslo (Norway); Schrempp, L. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Tocchini-Valentini, D. [Johns Hopkins Univ., Baltimore, MD (United States). Dept. of Physics and Astronomy

    2007-05-15

    A coupling between a light scalar field and neutrinos has been widely discussed as a mechanism for linking (time varying) neutrino masses and the present energy density and equation of state of dark energy. However, it has been pointed out that the viability of this scenario in the non-relativistic neutrino regime is threatened by the strong growth of hydrodynamic perturbations associated with a negative adiabatic sound speed squared. In this paper we revisit the stability issue in the framework of linear perturbation theory in a model independent way. The criterion for the stability of a model is translated into a constraint on the scalar-neutrino coupling, which depends on the ratio of the energy densities in neutrinos and cold dark matter. We illustrate our results by providing meaningful examples both for stable and unstable models. (orig.)

  12. Jahn-Teller and Non-Jahn-Teller Systems Involving CuF64- Units: Role of the Internal Electric Field in Ba2ZnF6:Cu2+ and Other Insulating Systems

    DEFF Research Database (Denmark)

    Aramburu, J. A.; Garcia-Fernandez, P.; García Lastra, Juan Maria

    2017-01-01

    transitions for CuF64- units formed in Cu2+-doped the tetragonal Ba2ZnF6 host lattice. While the experimental d-d transitions cannot be reproduced through the isolated CuF64- unit at the equilibrium geometry, a reasonable agreement is reached adding in the calculation the internal electric field, ER...... it is pointed out that a quasi-JT situation can however happen for a d9 ion in a cubic lattice under a strain of ∼10-3 in agreement with experimental data. The present results stress the key role played by the internal electric fields for a quantitative understanding of compounds with transition metal cations...

  13. Band Jahn-Teller effect on the density of states of the magnetic high-Tc superconductors: A model study

    International Nuclear Information System (INIS)

    Pradhan, B.; Mohanta, K.L.; Rout, G.C.

    2012-01-01

    We report here a mean-field study of competing antiferromagnetism, superconductivity and lattice strain phases and their effect on the local density of states of the cuprate system. Our model Hamiltonian incorporating these interactions is reported earlier [G.C. Rout et al., Physica C, 2007]. The analytic expression for superconducting, antiferromagnetism and lattice strain order parameters are calculated and solved self-consistently. The interplay of these order parameters is investigated considering the calculated density of states (DOSs) of the conduction electrons. The DOS displays multiple gap structures with multiple peaks. It is suggested that the tunneling conductance data obtained from the scanning tunneling microscopy (STM) measurements could be interpreted by using the quasi-particle bands calculated from our model Hamiltonian. We have discussed the mechanism to calculate the order parameters from the conductance data.

  14. Cu cluster shell structure at elevated temperatures

    DEFF Research Database (Denmark)

    Christensen, Ole Bøssing; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet

    1991-01-01

    Equilibrium structures of small (3–29)-atom Cu clusters are determined by simulated annealing, and finite-temperature ensembles are simulated by Monte Carlo techniques using the effective-medium theory for the energy calculation. Clusters with 8, 18, and 20 atoms are found to be particularly stable....... The equilibrium geometrical structures are determined and found to be determined by a Jahn-Teller distortion, which is found to affect the geometry also at high temperatures. The ‘‘magic’’ clusters retain their large stability even at elevated temperatures....

  15. Role of 5f electrons in the structural stability of light actinide (Th-U) mononitrides under pressure.

    Science.gov (United States)

    Modak, P; Verma, Ashok K

    2016-03-28

    Pressure induced structural sequences and their mechanism for light actinide (Th-U) mononitrides were studied as a function of 5f-electron number using first-principles total energy and electronic structure calculations. Zero pressure lattice constants, bulk module and C11 elastic module vary systematically with 5f-electron number implying its direct role on crystal binding. There is a critical 5f-electron number below which the system makes B1-B2 and above it B1-R3̄m-B2 structural sequence under pressure. Also, the B1-B2 transition pressure increases with increasing 5f-electron number whereas an opposite trend is obtained for the B1-R3̄m transition pressure. The ascending of N p anti-bonding states through the Fermi level at high pressure is responsible for the structural instability of the system. Above the critical 5f-electron number in the system a narrow 5f-band occurs very close to the Fermi level which allows the system to lower its symmetry via band Jahn-Teller type lattice distortion and the system undergoes a B1-R3̄m phase transition. However, below the critical 5f-electron number this mechanism is not favorable due to a lack of sufficient 5f-state occupancy and thus the system undergoes a B1-B2 phase transition like other ionic solids.

  16. Electron energy-loss spectroscopy on fullerenes and fullerene compounds

    International Nuclear Information System (INIS)

    Armbruster, J.

    1996-03-01

    A few years ago, a new form of pure carbon, the fullerenes, has been discovered, which shows many fascinating properties. Within this work the spatial and electronic structure of some selected fullerene compounds have been investigated by electron-energy-loss spectroscopy in transmission. Phase pure samples of alkali intercalated fullerides A x C 60 (A=Na, K, Cs) have been prepared using vacuum distillation. Measruements of K 3 C 60 show a dispersion of the charge carrier plasmon close to zero. This can be explained by calculations, which take into account both band structure and local-field (inhomogeneity) effects. The importance of the molecular structure can also be seen from the A 4 C 60 compounds, where the non-metallic properties are explained by a splitting of the t 1u and t 1g derived bands that is caused by electron-correlation and Jahn-Teller effects. First measurements of the electronic structure of Na x C 60 (x>6) are presented and reveal a complete transfer from the sodium atoms but an incomplete transfer onto the C 60 molecules. This behaviour can be explained by taking into account additional electronic states that are situated between the sodium atoms in the octahedral sites and are predicted by calculations using local density approximation. The crystal structure of the higher fullerenes C 76 and C 84 is found to be face-centered cubic

  17. NSRL 200 MeV linac beam energy stabilization system

    International Nuclear Information System (INIS)

    Huang Guirong; Pei Yuanji; Dong Sai

    2001-01-01

    By using the computer image processing technology and RF phase auto-shifting system, the ESS (Energy Stabilization System) was applied to 200 MeV Linac. the ESS adjusts beam energy automatically in a range of +-4 MeV. After adjustment beam energy stability is improved to +-6%

  18. Energy conditions and stability in general relativity

    International Nuclear Information System (INIS)

    Hall, G.S.

    1982-01-01

    The dominant energy condition in general relativity theory, which says that every observer measures a nonnegative local energy density and a nonspacelike local energy flow, is examined in connection with the types of energy-momentum tensor it permits. The condition that the energy-momentum tensor be ''stable'' in obeying the dominant energy conditions is then defined in terms of a suitable topology on the set of energy-momentum tensors on space-time and the consequences are evaluated and discussed. (author)

  19. Wind energy systems solutions for power quality and stabilization

    CERN Document Server

    Ali, Mohd Hasan

    2012-01-01

    Unlike conventional power plants, wind plants emit no air pollutants or greenhouse gases--and wind energy is a free, renewable resource. However, the induction machines commonly used as wind generators have stability problems similar to the transient stability of synchronous machines. To minimize power, frequency, and voltage fluctuations caused by network faults or random wind speed variations, control mechanisms are necessary. Wind Energy Systems: Solutions for Power Quality and Stabilization clearly explains how to solve stability and power quality issues of wind generator systems. Covering

  20. Thermally assisted ordering in Mott insulators

    Science.gov (United States)

    Sims, Hunter; Pavarini, Eva; Koch, Erik

    2017-08-01

    Landau theory describes phase transitions as the competition between energy and entropy: The ordered phase has lower energy, while the disordered phase has larger entropy. When heating the system, ordering is reduced entropically until it vanishes at the critical temperature. This picture implicitly assumes that the energy difference between the ordered and disordered phases does not change with temperature. We show that for orbital ordering in the Mott insulator KCuF3, this assumption fails qualitatively: entropy plays a negligible role, while thermal expansion energetically stabilizes the orbitally ordered phase to such an extent that no phase transition is observed. To understand this strong dependence on the lattice constant, we need to take into account the Born-Mayer repulsion between the ions. It is the latter, and not the Jahn-Teller elastic energy, which determines the magnitude of the distortion. This effect will be seen in all materials where the distortion expected from the Jahn-Teller mechanism is so large that the ions would touch. Our mechanism explains not only the absence of a phase transition in KCuF3, but even suggests the possibility of an inverted transition in closed-shell systems, where the ordered phase emerges only at high temperatures.

  1. Interacting dark energy model and thermal stability

    Energy Technology Data Exchange (ETDEWEB)

    Bhandari, Pritikana; Haldar, Sourav; Chakraborty, Subenoy [Jadavpur University, Department of Mathematics, Kolkata, West Bengal (India)

    2017-12-15

    In the background of the homogeneous and isotropic FLRW model, the thermodynamics of the interacting DE fluid is investigated in the present work. By studying the thermodynamical parameters, namely the heat capacities and the compressibilities, both thermal and mechanical stability are discussed and the restrictions on the equation of state parameter of the dark fluid are analyzed. (orig.)

  2. Interacting dark energy model and thermal stability

    International Nuclear Information System (INIS)

    Bhandari, Pritikana; Haldar, Sourav; Chakraborty, Subenoy

    2017-01-01

    In the background of the homogeneous and isotropic FLRW model, the thermodynamics of the interacting DE fluid is investigated in the present work. By studying the thermodynamical parameters, namely the heat capacities and the compressibilities, both thermal and mechanical stability are discussed and the restrictions on the equation of state parameter of the dark fluid are analyzed. (orig.)

  3. Impact of wind farms with energy storage on transient stability

    Science.gov (United States)

    Bowman, Douglas Allen

    Today's energy infrastructure will need to rapidly expand in terms of reliability and flexibility due to aging infrastructure, changing energy market conditions, projected load increases, and system reliability requirements. Over the few decades, several states in the U.S. are now requiring an increase in wind penetration. These requirements will have impacts on grid reliability given the inherent intermittency of wind generation and much research has been completed on the impact of wind on grid reliability. Energy storage has been proposed as a tool to provide greater levels of reliability; however, little research has occurred in the area of wind with storage and its impact on stability given different possible scenarios. This thesis addresses the impact of wind farm penetration on transient stability when energy storage is added. The results show that battery energy storage located at the wind energy site can improve the stability response of the system.

  4. Contribution of on-site Coulomb repulsion energy to structural, electronic and magnetic properties of SrCoO3 for different space groups: first-principles study

    Directory of Open Access Journals (Sweden)

    Muhammady Shibghatullah

    2018-03-01

    Full Text Available We report structural, electronic, and magnetic properties of SrCoO3 in Pm3̅m and P4/mbm space groups, which are calculated by using generalized gradient approximation corrected with on-site Coulomb repulsion U and exchange energies J. The cubic lattice parameter a and local magnetic moments of Co (μCo are optimized by varying U at Co 3d site. Employing ultrasoft pseudopotential, the values of U = 8 eV and J = 0.75 eV are the best choice for Pm3̅m space group. We found the value of μCo = 2.56 μB, which is consistent with the previous results. It was also found that Co 3d, hybridized with O 2p, is the main contributor to ferromagnetic metallic properties. Besides, norm-conserving pseudopotential promotes a, which is in good agreement with experimental result. However, it is not suitable for P4/mbm space group. By using ultrasoft pseudopotential, the value of U = 3 eV (J = 0.75 is the most suitable for P4/mbm group. Ferromagnetic metallic properties, Jahn-Teller distortion, and reasonable lattice parameters have been obtained. This study shows that U has significant contribution to the calculated properties and also points out that P4/mbm space group with US-PP is suitable to describe experimental results.

  5. Nuclear symmetry energy and stability of matter in neutron stars

    International Nuclear Information System (INIS)

    Kubis, Sebastian

    2007-01-01

    It is shown that the nuclear symmetry energy is the key quantity in the stability consideration in neutron star matter. The symmetry energy controls the position of crust-core transition and also may lead to new effects in the inner core of neutron star

  6. Hydrogen energy strategies and global stability and unrest

    International Nuclear Information System (INIS)

    Midilli, A.; Dincer, I.; Rosen, M.A.

    2004-01-01

    This paper focuses on hydrogen energy strategies and global stability and unrest. In order to investigate the strategic relationship between these concepts, two empirical relations that describe the effects of fossil fuels on global stability and global unrest are developed. These relations incorporate predicted utilization ratios for hydrogen energy from non-fossil fuels, and are used to investigate whether hydrogen utilization can reduce the negative global effects related to fossil fuel use, eliminate or reduce the possibilities of global energy conflicts, and contribute to achieving world stability. It is determined that, if utilization of hydrogen from non-fossil fuels increases, for a fixed usage of petroleum, coal and natural gas, the level of global unrest decreases. However, if the utilization ratio of hydrogen energy from non-fossil fuels is lower than 100%, the level of global stability decreases as the symptoms of global unrest increase. It is suggested that, to reduce the causes of global unrest and increase the likelihood of global stability in the future, hydrogen energy should be widely and efficiently used, as one component of plans for sustainable development. (author)

  7. Energy implications of CO{sub 2} stabilization. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Hoffert, M.I.; Caldeira, K.; Jain, A.K. [and others

    1997-12-01

    Analysis of carbon emissions paths stabilizing atmospheric CO{sub 2} in the 350--750 ppmv range reveals that implementing the UN Climate Convention will become increasingly difficult as the stabilization target decreases because of increasing dependence on carbon-free energy sources. Even the central Intergovernmental Panel on Climate Change scenario (IS92a) requires carbon-free primary power by 2050 equal to the humankind`s present fossil-fuel-based primary power consumption {approximately}10 TW (1 TW = 10{sup 12} W). The authors describe and critique the assumptions on which this projection is based, and extend the analysis to scenarios in which atmospheric CO{sub 2} stabilizes. For continued economic growth with CO{sub 2} stabilization, new, cost-effective, carbon-free technologies that can provide primary power of order 10 TW will be needed in the coming decades, and certainly by mid-century, in addition to improved economic productivity of primary energy.

  8. The free energy principle, negative energy modes, and stability

    International Nuclear Information System (INIS)

    Morrison, P.J.; Kotschenreuther, M.

    1990-01-01

    This paper is concerned with instability of equilibria of Hamiltonian, fluid and plasma dynamical systems. Usually the dynamical equilibrium of interest is not the state of thermodynamic equilibrium, and does not correspond to a free energy minimum. The relaxation of this type of equilibrium is conventionally considered to be initiated by linear instability. However, there are many cases where linear instability is not present, but the equilibrium is nonlinearly unstable to arbitrarily small perturbations. This paper is about general free energy expressions for determining the presence of linear or nonlinear instabilities. These expressions are simple and practical, and can be obtained for all equilibria of all ideal fluid and plasma models. By free energy, we mean the energy change upon perturbations of the equilibrium that respect dynamical phase space constraints. This quantity is measured by a self-adjoint quadratic form, called δ 2 F. The free energy can result in instability when δ 2 F is indefinite; i.e. there exist accessible perturbations that lower the free energy of the system. A primary purpose of this paper is to tie together three manifestations of what we will refer to as negative energy modes. The first is the conventional plasma physics notion of negative energy mode that is based on the definition of the energy in a homogeneous dielectric medium. A negative energy mode is a normal mode of the medium (plasma) that possesses negative dielectric energy. The second manifestation occurs in finite degree-of-freedom Hamiltonian normal form theory. The quadratic part of a Hamiltonian in the vicinity of an equilibrium point, which possesses only distinct oscillatory eigenvalues, has an invariant signature. Thus in cases where the quadratic form is indefinite, it is natural to refer to the modes corresponding to the negative signature as negative energy modes

  9. Nuclear Hybrid Energy System Model Stability Testing

    Energy Technology Data Exchange (ETDEWEB)

    Greenwood, Michael Scott [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Cetiner, Sacit M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Fugate, David W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-04-01

    A Nuclear Hybrid Energy System (NHES) uses a nuclear reactor as the basic power generation unit, and the power generated is used by multiple customers as combinations of thermal power or electrical power. The definition and architecture of a particular NHES can be adapted based on the needs and opportunities of different localities and markets. For example, locations in need of potable water may be best served by coupling a desalination plant to the NHES. Similarly, a location near oil refineries may have a need for emission-free hydrogen production. Using the flexible, multi-domain capabilities of Modelica, Argonne National Laboratory, Idaho National Laboratory, and Oak Ridge National Laboratory are investigating the dynamics (e.g., thermal hydraulics and electrical generation/consumption) and cost of a hybrid system. This paper examines the NHES work underway, emphasizing the control system developed for individual subsystems and the overall supervisory control system.

  10. Inorganic electret with enhanced charge stability for energy harvesting

    DEFF Research Database (Denmark)

    Wang, Fei; Hansen, Ole

    2013-01-01

    We report a new surface treatment of inorganic electret materials which enhances the charge stability. Coating the surfaces with 1H, 1H, 2H, 2H - perfluorodecyltrichlorosilane (FDTS) makes the electret surface more hydrophobic which improves the surface charge stability under high humidity condit...... conditions. Thermal tests show that the thermal stability of charge in the inorganic electrets is also much better than that of polymer materials such as CYTOP. A demonstrator device with SiO2 electrets shows promising results for energy harvesting applications....

  11. Energy implications of future stabilization of atmospheric CO2 content

    International Nuclear Information System (INIS)

    Hoffert, M.I.; Jain, A.K.

    1998-01-01

    The United Nations Framework Convention on Climate Change calls for ''stabilization of greenhouse-gas concentrations in the atmosphere at a level that would prevent dangerous anthropogenic interference with the climate system...''. A standard baseline scenario that assumes no policy intervention to limit greenhouse-gas emissions has 10 TW (10 x 10 12 watts) of carbon-emission-free power being produced by the year 2050, equivalent to the power provided by all today's energy sources combined. Here we employ a carbon-cycle/energy model to estimate the carbon-emission-free power needed for various atmospheric CO 2 stabilization scenarios. We find that CO 2 stabilization with continued economic growth will require innovative, cost-effective and carbon-emission-free technologies that can provide additional tens of terawatts of primary power in the coming decades, and certainly by the middle of the twenty-first century, even with sustained improvement in the economic productivity of primary energy. (author)

  12. Gaussian-3 theory using density functional geometries and zero-point energies

    International Nuclear Information System (INIS)

    Baboul, A.G.; Curtiss, L.A.; Redfern, P.C.; Raghavachari, K.

    1999-01-01

    A variation of Gaussian-3 (G3) theory is presented in which the geometries and zero-point energies are obtained from B3LYP density functional theory [B3LYP/6-31G(d)] instead of geometries from second-order perturbation theory [MP2(FU)/6-31G(d)] and zero-point energies from Hartree - Fock theory [HF/6-31G(d)]. This variation, referred to as G3//B3LYP, is assessed on 299 energies (enthalpies of formation, ionization potentials, electron affinities, proton affinities) from the G2/97 test set [J. Chem. Phys. 109, 42 (1998)]. The G3//B3LYP average absolute deviation from experiment for the 299 energies is 0.99 kcal/mol compared to 1.01 kcal/mol for G3 theory. Generally, the results from the two methods are similar, with some exceptions. G3//B3LYP theory gives significantly improved results for several cases for which MP2 theory is deficient for optimized geometries, such as CN and O 2 + . However, G3//B3LYP does poorly for ionization potentials that involve a Jahn - Teller distortion in the cation (CH 4 + , BF 3 + , BCl 3 + ) because of the B3LYP/6-31G(d) geometries. The G3(MP2) method is also modified to use B3LYP/6-31G(d) geometries and zero-point energies. This variation, referred to as G3(MP2)//B3LYP, has an average absolute deviation of 1.25 kcal/mol compared to 1.30 kcal/mol for G3(MP2) theory. Thus, use of density functional geometries and zero-point energies in G3 and G3(MP2) theories is a useful alternative to MP2 geometries and HF zero-point energies. copyright 1999 American Institute of Physics

  13. Stabilized quasi-Newton optimization of noisy potential energy surfaces

    International Nuclear Information System (INIS)

    Schaefer, Bastian; Goedecker, Stefan; Alireza Ghasemi, S.; Roy, Shantanu

    2015-01-01

    Optimizations of atomic positions belong to the most commonly performed tasks in electronic structure calculations. Many simulations like global minimum searches or characterizations of chemical reactions require performing hundreds or thousands of minimizations or saddle computations. To automatize these tasks, optimization algorithms must not only be efficient but also very reliable. Unfortunately, computational noise in forces and energies is inherent to electronic structure codes. This computational noise poses a severe problem to the stability of efficient optimization methods like the limited-memory Broyden–Fletcher–Goldfarb–Shanno algorithm. We here present a technique that allows obtaining significant curvature information of noisy potential energy surfaces. We use this technique to construct both, a stabilized quasi-Newton minimization method and a stabilized quasi-Newton saddle finding approach. We demonstrate with the help of benchmarks that both the minimizer and the saddle finding approach are superior to comparable existing methods

  14. Stabilized quasi-Newton optimization of noisy potential energy surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, Bastian; Goedecker, Stefan, E-mail: stefan.goedecker@unibas.ch [Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel (Switzerland); Alireza Ghasemi, S. [Institute for Advanced Studies in Basic Sciences, P.O. Box 45195-1159, IR-Zanjan (Iran, Islamic Republic of); Roy, Shantanu [Computational and Systems Biology, Biozentrum, University of Basel, CH-4056 Basel (Switzerland)

    2015-01-21

    Optimizations of atomic positions belong to the most commonly performed tasks in electronic structure calculations. Many simulations like global minimum searches or characterizations of chemical reactions require performing hundreds or thousands of minimizations or saddle computations. To automatize these tasks, optimization algorithms must not only be efficient but also very reliable. Unfortunately, computational noise in forces and energies is inherent to electronic structure codes. This computational noise poses a severe problem to the stability of efficient optimization methods like the limited-memory Broyden–Fletcher–Goldfarb–Shanno algorithm. We here present a technique that allows obtaining significant curvature information of noisy potential energy surfaces. We use this technique to construct both, a stabilized quasi-Newton minimization method and a stabilized quasi-Newton saddle finding approach. We demonstrate with the help of benchmarks that both the minimizer and the saddle finding approach are superior to comparable existing methods.

  15. A valuation study of fuel supply stability of nuclear energy

    International Nuclear Information System (INIS)

    Nagano, Koji; Nagata, Yutaka; Hitomi, Kazumi; Hamagata, Sumio; Asaoka, Yoshiyuki

    2008-01-01

    In order to assess potential benefits of nuclear power with regard to its characteristics of fuel supply stability, the following three aspects are valuated under the Japanese energy and electricity mix: a) economic stability; i.e. nuclear power's contribution to the whole energy and electricity mix in terms of resistance to fluctuation and/or fuel price hikes, b) procurement stability; i.e. natural uranium, the raw fuel material for nuclear power generation, is being imported from more reliable sources through adequately diverse markets than in the cases of oil and natural gas, and, c) passive reserve effect; i.e. fuel materials as running stocks at power stations and fuel service facilities could maintain nuclear power generation running for a certain duration under unexpected disruption of fuel supply. (author)

  16. Stability Analysis of Static Slip-Energy Recovery Drive via ...

    African Journals Online (AJOL)

    The stability of the sub synchronous static slip energy recovery scheme for the speed control of slip-ring induction motor is presented. A set of nonlinear differential equations which describe the system dynamics are derived and linearized about an operating point using perturbation technique. The Eigenvalue analysis of the ...

  17. Energy management and grid stability aspects of wind energy integration

    International Nuclear Information System (INIS)

    Saulnier, B.; Krau, S.; Gagnon, R.

    2002-01-01

    Wind energy management on power grids was discussed with reference to a wind integration study in Vermont and new projects at Hydro-Quebec's electricity research institute (IREQ (Recherche en Electricite du Quebec)). Modeling concepts for wind integration were presented for hydro/wind systems and for thermal/wind systems. A large scale wind power integration study for the Quebec/Labrador area has shown that large wind power capacity can be integrated in the existing power system without special investment. The Canadian Wind Energy Association's goal of integrating 10,000 MW of wind in Canadian grids appears realistic from a technical point of view. The Vermont thermal system type project involves the integration of wind and biomass. The project objective is to evaluate the impacts, by 2010, of high penetration levels of renewable energy on the Vermont grid. The study showed that wind power can represent a large portion of Vermont's total generation because transmission capacities to get to other regions are large, plus Vermont has ties with other power systems. The Hydro-Quebec load and Vermont wind are well correlated, meaning that Hydro-Quebec's peak is driven by winter electric space heating demand, and Vermont's best wind resource period is also in the winter. Model results show an economic benefit of adding wind power in the Vermont Power system when it is managed with Quebec's generation assets. The impact that this would have on the transmission system was also discussed. 1 tab., 13 figs

  18. Improvement of the Energy Stability of the Single Ion Microbeam

    International Nuclear Information System (INIS)

    Zhan Furu; Qi Xuehong; Xu Mingliang; Chen Lianyun; Yu Zengliang

    2008-01-01

    Energy instability strongly affects the state and the beam size of the single ion microbeam. A facility based on the Generating Voltmeter was developed to improve the energy stability of the CAS-LIBB (Chinese Academy of Sciences, key laboratory of ion beam bioengineering) single ion microbeam. This paper presents the analysis of the energy instability of the single ion microbeam. A simplified theoretical model is set up to calculate the relationship between the energy instability and the beam spot size. By using this technique, the energy instability is adjusted to about 1%. Stable run-time is over 6 hours. The radius of the single ion beam is reduced by 10% compared to the previous one.

  19. Band Jahn-Teller effect on the density of states of the magnetic high-T{sub c} superconductors: A model study

    Energy Technology Data Exchange (ETDEWEB)

    Pradhan, B. [Department of Physics, Govt. Science College, Malkangiri 764 048 (India); Mohanta, K.L. [Department of Physics, ITER, Siksha ' O' Anusandhan University, Bhubaneswar 751 030 (India); Rout, G.C., E-mail: gcr@iopb.res.in [Condensed Matter Physics Group, Dept. of Applied Physics and Ballistics, F.M. University, Balasore 756 019 (India)

    2012-05-15

    We report here a mean-field study of competing antiferromagnetism, superconductivity and lattice strain phases and their effect on the local density of states of the cuprate system. Our model Hamiltonian incorporating these interactions is reported earlier [G.C. Rout et al., Physica C, 2007]. The analytic expression for superconducting, antiferromagnetism and lattice strain order parameters are calculated and solved self-consistently. The interplay of these order parameters is investigated considering the calculated density of states (DOSs) of the conduction electrons. The DOS displays multiple gap structures with multiple peaks. It is suggested that the tunneling conductance data obtained from the scanning tunneling microscopy (STM) measurements could be interpreted by using the quasi-particle bands calculated from our model Hamiltonian. We have discussed the mechanism to calculate the order parameters from the conductance data.

  20. Jahn-Teller effect and ferromagnetic ordering in La0.875Sr0.125MnO3: A reentrant behaviour

    International Nuclear Information System (INIS)

    Pinsard, L.; Revcolevschi, A.; Anane, A.; Dupas, C.

    1997-01-01

    The compound La 0.875 Sr 0.125 MnO 3 undergoes a series of structural phase transitions in which different physical effects are involved. The compound is rhombohedral above T RO ∝400 K. On cooling, a phase transition to an orthorhombic Pbnm O-phase takes place at T RO , no significant orbital ordering is observed. At T OO' ∝270 K a structural phase transition to another orthorhombic (O') form takes place, and an orbital ordering appears due to a cooperative JT effect. For this temperature range the compound is a paramagnetic semiconductor. Upon cooling it becomes ferromagnetic at T C ∝180 K and the orbital ordering is partially suppressed. Below a temperature T O'O '' ∝150 K at which the average Mn magnetic moment is about 2μ B the orbital ordering is completely suppressed by a first order structural transition to another orthorhombic phase (O '' ) similar to the O-phase. Between T C and T O'O '' the compound is metallic and becomes a ferromagnetic insulator below T O'O '' where a canting of the ferromagnetic order appears. (orig.)

  1. Anomalous multi-order Raman scattering in LaMnO.sub.3./sub. a signature of quantum lattice effects in a Jahn-Teller crystal

    Czech Academy of Sciences Publication Activity Database

    Kovaleva, Natalia; Kusmartseva, O.E.; Kugel, K.I.; Maksimov, A.A.; Nuzhnyy, Dmitry; Balbashov, A.M.; Demikhov, E.I.; Dejneka, Alexandr; Trepakov, Vladimír; Kusmartsev, F.V.; Stoneham, A.M.

    2013-01-01

    Roč. 25, č. 15 (2013), s. 1-8 ISSN 0953-8984 R&D Projects: GA TA ČR TA01010517 Institutional research plan: CEZ:AV0Z10100522 Keywords : quantum lattice effects * LaMnO 3 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.223, year: 2013

  2. Lattice modes and the Jahn-Teller ferroelectric transition of GaV.sub.4./sub.S.sub.8./sub.

    Czech Academy of Sciences Publication Activity Database

    Hlinka, Jiří; Borodavka, Fedir; Rafalovskyi, Iegor; Dočekalová, Zuzana; Pokorný, Jan; Gregora, Ivan; Tsurkan, V.; Nakamura, H.; Mayr, F.; Kuntscher, C.A.; Loidl, A.; Bordács, S.; Szaller, D.; Lee, H.-J.; Lee, J.H.; Kézsmárki, I.

    2016-01-01

    Roč. 94, č. 6 (2016), 1-4, č. článku 060104. ISSN 2469-9950 R&D Projects: GA ČR GA13-15110S Institutional support: RVO:68378271 Keywords : augmented-wave method * crystals * phase Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.836, year: 2016

  3. Optical spectroscopy of Al2O3:Ti3+ single crystal under hydrostatic pressure : The influence on the Jahn-Teller coupling

    NARCIS (Netherlands)

    García-Revilla, S.; Rodríguez, F.; Valiente, R.; Pollnau, Markus

    2002-01-01

    This work investigates the effect of hydrostatic pressure on the excitation and emission spectra, as well as on the lifetime, of Al2O3:Ti3+ at room temperature. The aim is to establish correlations between the pressure-induced band shifts and the corresponding local structural changes undergone by

  4. Sound stabilizes locomotor-respiratory coupling and reduces energy cost.

    Directory of Open Access Journals (Sweden)

    Charles P Hoffmann

    Full Text Available A natural synchronization between locomotor and respiratory systems is known to exist for various species and various forms of locomotion. This Locomotor-Respiratory Coupling (LRC is fundamental for the energy transfer between the two subsystems during long duration exercise and originates from mechanical and neurological interactions. Different methodologies have been used to compute LRC, giving rise to various and often diverging results in terms of synchronization, (de-stabilization via information, and associated energy cost. In this article, the theory of nonlinear-coupled oscillators was adopted to characterize LRC, through the model of the sine circle map, and tested it in the context of cycling. Our specific focus was the sound-induced stabilization of LRC and its associated change in energy consumption. In our experimental study, participants were instructed during a cycling exercise to synchronize either their respiration or their pedaling rate with an external auditory stimulus whose rhythm corresponded to their individual preferential breathing or cycling frequencies. Results showed a significant reduction in energy expenditure with auditory stimulation, accompanied by a stabilization of LRC. The sound-induced effect was asymmetrical, with a better stabilizing influence of the metronome on the locomotor system than on the respiratory system. A modification of the respiratory frequency was indeed observed when participants cycled in synchrony with the tone, leading to a transition toward more stable frequency ratios as predicted by the sine circle map. In addition to the classical mechanical and neurological origins of LRC, here we demonstrated using the sine circle map model that information plays an important modulatory role of the synchronization, and has global energetic consequences.

  5. Absorbed energy for radiation crosslinking in stabilized PE systems

    International Nuclear Information System (INIS)

    Novakovic, Lj.; Gal, O.; Charlesby, A.

    1990-01-01

    A quantitative consideration on the absorbed energy consumption in various γ-irradiated polyethylene systems is given. On the base of the increased gel dose values for the PE systems containing antioxidant, relative to the gel doses for the pure polymers, the surplus of the absorbed energy due to the presence of the particular antioxidant is calculated. The increasing of the energy consumption in the stabilized systems depends on both the type and the content of the basic polymer. The surplus in the absorbed energy decreases with the radiation dose increasing, reflecting both the diminishing of the antioxidant concentration in the irradiating PE systems and the crosslinking level. The findings can be of interest in the estimation of the absorbed doses for the specific radiation crosslinking processes. (author)

  6. Absorbed energy for radiation crosslinking in stabilized PE systems

    Energy Technology Data Exchange (ETDEWEB)

    Novakovic, Lj; Gal, O [Institut za Nuklearne Nauke Boris Kidric, Belgrade (Yugoslavia); Charlesby, A

    1990-01-01

    A quantitative consideration on the absorbed energy consumption in various {gamma}-irradiated polyethylene systems is given. On the base of the increased gel dose values for the PE systems containing antioxidant, relative to the gel doses for the pure polymers, the surplus of the absorbed energy due to the presence of the particular antioxidant is calculated. The increasing of the energy consumption in the stabilized systems depends on both the type and the content of the basic polymer. The surplus in the absorbed energy decreases with the radiation dose increasing, reflecting both the diminishing of the antioxidant concentration in the irradiating PE systems and the crosslinking level. The findings can be of interest in the estimation of the absorbed doses for the specific radiation crosslinking processes. (author).

  7. Theoretical prediction of the energy stability of graphene nanoblisters

    Science.gov (United States)

    Glukhova, O. E.; Slepchenkov, M. M.; Barkov, P. V.

    2018-04-01

    The paper presents the results of a theoretical prediction of the energy stability of graphene nanoblisters with various geometrical parameters. As a criterion for the evaluation of the stability of investigated carbon objects we propose to consider the value of local stress of the nanoblister atomic grid. Numerical evaluation of stresses experienced by atoms of the graphene blister framework was carried out by means of an original method for calculation of local stresses that is based on energy approach. Atomistic models of graphene nanoblisters corresponding to the natural experiment data were built for the first time in this work. New physical regularities of the influence of topology on the thermodynamic stability of nanoblisters were established as a result of the analysis of the numerical experiment data. We built the distribution of local stresses for graphene blister structures, whose atomic grid contains a variety of structural defects. We have shown how the concentration and location of defects affect the picture of the distribution of the maximum stresses experienced by the atoms of the nanoblisters.

  8. Thermal stability evaluation of palm oil as energy transport media

    International Nuclear Information System (INIS)

    Wan Nik, W.B.; Ani, F.N.; Masjuki, H.H.

    2005-01-01

    The thermal stability of palm oil as energy transport media in a hydraulic system was studied. The oils were aged by circulating the oil in an open loop hydraulic system at an isothermal condition of 55 deg. C for 600 h. The thermal behavior and kinetic parameters of fresh and degraded palm oil, with and without oxidation inhibitor, were studied using the dynamic heating rate mode of a thermogravimetric analyser (TGA). Viscometric properties, total acid number and iodine value analyses were used to complement the TGA data. The thermodynamic parameter of activation energy of the samples was determined by direct Arrhenius plot and integral methods. The results may have important applications in the development of palm oil based hydraulic fluid. The results were compared with commercial vegetable based hydraulic fluid. The use of F10 and L135 additives was found to suppress significantly the increase of acid level and viscosity of the fluid

  9. Energy stability in a high average power FEL

    International Nuclear Information System (INIS)

    Mermings, L.; Bisognano, J.; Delayen, J.

    1995-01-01

    Recirculating, energy-recovering linacs can be used as driver accelerators for high power FELs. Instabilities which arise from fluctuations of the cavity fields or beam current are investigated. Energy changes can cause beam loss on apertures, or, when coupled to M, phase oscillations. Both effects change the beam induced voltage in the cavities and can lead to unstable variations of the accelerating field. Stability analysis for small perturbations from equilibrium is performed and threshold currents are determined. Furthermore, the analytical model is extended to include feedback. Comparison with simulation results derived from direct integration of the equations of motion is presented. Design strategies to increase the instability threshold are discussed and the UV Demo FEL, proposed for construction at CEBAF, and the INP Recuperatron at Novosibirsk are used as examples

  10. Enhanced magnetic anisotropies of single transition-metal adatoms on a defective MoS2 monolayer.

    Science.gov (United States)

    Cong, W T; Tang, Z; Zhao, X G; Chu, J H

    2015-03-23

    Single magnetic atoms absorbed on an atomically thin layer represent the ultimate limit of bit miniaturization for data storage. To approach the limit, a critical step is to find an appropriate material system with high chemical stability and large magnetic anisotropic energy. Here, on the basis of first-principles calculations and the spin-orbit coupling theory, it is elucidated that the transition-metal Mn and Fe atoms absorbed on disulfur vacancies of MoS2 monolayers are very promising candidates. It is analysed that these absorption systems are of not only high chemical stabilities but also much enhanced magnetic anisotropies and particularly the easy magnetization axis is changed from the in-plane one for Mn to the out-of-plane one for Fe by a symmetry-lowering Jahn-Teller distortion. The results point out a promising direction to achieve the ultimate goal of single adatomic magnets with utilizing the defective atomically thin layers.

  11. Diagnostics for low energy buncher stability at PLF, Mumbai

    International Nuclear Information System (INIS)

    Pal, S.; Karande, J.N.; Dhumal, P.; Takke, A.N.; Nanal, V.; Pillay, R.G.

    2013-01-01

    The buncher system at Pelletron Linac Facility (PLF), Mumbai consists of room-temperature double-harmonic drift bunchers, situated at the entrance of the Pelletron accelerator and a superconducting cavity at the injection of the LINAC. Low energy (LE) bunchers operate at sub harmonic of the LINAC reference clock (∼150 MHz)) with a bunching efficiency ∼ 66% and a typical FWHM of 1.5 ns.The dark current between adjacent bunches is swept away by RF parallel plate sweeper situated at exit of the Pelletron operating at f/32. The transit time variation arising due to Pelletron terminal voltage fluctuations are compensated by locking the reference of the LE bunchers to the phase detector operating at f/4 and situated at the injection of the LINAC. For a stable injection in the LINAC, the LE bunchers, the sweeper and the phase detector need too be phase synchronized with the LINAC master clock. To achieve a better stability on the phase lock, detailed phase stability measurements of the RF subsystem consisting of various RF devices, which operate at different sub harmonic of LINAC clock (f/32, f/16, f/8, f/4 and f) have been carried out. It was observed that temperature instabilities, ground loops and poor RF/EMI shielding due to aging effects were responsible for the phase jitter and drifts. The long term drifts and phase noise in the RF control of the LE buncher system have been minimized to a level better than 50 ps. (author)

  12. Energy Optimization for Distributed Energy Resources Scheduling with Enhancements in Voltage Stability Margin

    DEFF Research Database (Denmark)

    Morais, Hugo; Sousa, Tiago; Perez, Angel

    2016-01-01

    to evaluate the resulting multiobjective optimization problem: the sum-weighted Pareto front and an adapted goal programming methodology. With this new methodology, the system operators can consider both the costs and voltage stability. Priority can be assigned to one objective function according...... to the operating scenario. Additionally, it is possible to evaluate the impact of the distributed generation and the electric vehicles in the management of voltage stability in the future electric networks. One detailed case study considering a distribution network with high penetration of distributed energy...

  13. VARIATIONS OF THE ENERGY METHOD FOR STUDYING CONSTRUCTION STABILITY

    Directory of Open Access Journals (Sweden)

    A. M. Dibirgadzhiev

    2017-01-01

    Full Text Available Objectives. The aim of the work is to find the most rational form of expression of the potential energy of a nonlinear system with the subsequent use of algebraic means and geometric images of catastrophe theory for studying the behaviour of a construction under load. Various forms of stability criteria for the equilibrium states of constructions are investigated. Some aspects of the using various forms of expression of the system’s total energy are considered, oriented to the subsequent use of the catastrophe theory methods for solving the nonlinear problems of construction calculation associated with discontinuous phenomena.Methods. According to the form of the potential energy expression, the mathematical description of the problem being solved is linked to a specific catastrophe of a universal character from the list of catastrophes. After this, the behaviour of the system can be predicted on the basis of the fundamental propositions formulated in catastrophe theory without integrating the corresponding system of nonlinear differential equations of high order in partial derivatives, to which the solution of such problems is reduced.Results. The result is presented in the form of uniform geometric images containing all the necessary qualitative and quantitative information about the deformation of whole construction classes under load for a wide range of changes in the values of external (control and internal (behavioural parameters.Conclusion. Methods based on catastrophe theory are an effective mathematical tool for solving non-linear boundary-value problems with parameters associated with discontinuous phenomena, which are poorly analysable by conventional methods. However, they have not yet received due attention from researchers, especially in the field of stability calculations, which remains a complex, relevant and attractive problem within structural mechanics. To solve a concrete nonlinear boundary value problem for calculating

  14. High energy density Z-pinch plasmas using flow stabilization

    Energy Technology Data Exchange (ETDEWEB)

    Shumlak, U., E-mail: shumlak@uw.edu; Golingo, R. P., E-mail: shumlak@uw.edu; Nelson, B. A., E-mail: shumlak@uw.edu; Bowers, C. A., E-mail: shumlak@uw.edu; Doty, S. A., E-mail: shumlak@uw.edu; Forbes, E. G., E-mail: shumlak@uw.edu; Hughes, M. C., E-mail: shumlak@uw.edu; Kim, B., E-mail: shumlak@uw.edu; Knecht, S. D., E-mail: shumlak@uw.edu; Lambert, K. K., E-mail: shumlak@uw.edu; Lowrie, W., E-mail: shumlak@uw.edu; Ross, M. P., E-mail: shumlak@uw.edu; Weed, J. R., E-mail: shumlak@uw.edu [Aerospace and Energetics Research Program, University of Washington, Seattle, Washington, 98195-2250 (United States)

    2014-12-15

    The ZaP Flow Z-Pinch research project[1] at the University of Washington investigates the effect of sheared flows on MHD instabilities. Axially flowing Z-pinch plasmas are produced that are 100 cm long with a 1 cm radius. The plasma remains quiescent for many radial Alfvén times and axial flow times. The quiescent periods are characterized by low magnetic mode activity measured at several locations along the plasma column and by stationary visible plasma emission. Plasma evolution is modeled with high-resolution simulation codes – Mach2, WARPX, NIMROD, and HiFi. Plasma flow profiles are experimentally measured with a multi-chord ion Doppler spectrometer. A sheared flow profile is observed to be coincident with the quiescent period, and is consistent with classical plasma viscosity. Equilibrium is determined by diagnostic measurements: interferometry for density; spectroscopy for ion temperature, plasma flow, and density[2]; Thomson scattering for electron temperature; Zeeman splitting for internal magnetic field measurements[3]; and fast framing photography for global structure. Wall stabilization has been investigated computationally and experimentally by removing 70% of the surrounding conducting wall to demonstrate no change in stability behavior.[4] Experimental evidence suggests that the plasma lifetime is only limited by plasma supply and current waveform. The flow Z-pinch concept provides an approach to achieve high energy density plasmas,[5] which are large, easy to diagnose, and persist for extended durations. A new experiment, ZaP-HD, has been built to investigate this approach by separating the flow Z-pinch formation from the radial compression using a triaxial-electrode configuration. This innovation allows more detailed investigations of the sheared flow stabilizing effect, and it allows compression to much higher densities than previously achieved on ZaP by reducing the linear density and increasing the pinch current. Experimental results and

  15. Reminimization of energy integral and stability limit for non-ideal MHD (magnetohydrodynamic) plasma

    International Nuclear Information System (INIS)

    Kondoh, Y.

    1988-03-01

    The stability condition of relaxed states is derived from the energy principle for the non-ideal MHD plasma. An Euler equation for the reminimization of energy integral is derived and shown to give the marginal stable, non-singular perturbations for the stability condition. An extended stability limit for the β = 0 relaxed states is derived from the stability condition, with use of the eigenvalue analysis for the Euler equation. By using the perturbation method, the extended stability limit is solved in the 1st order approximation to explain the deviation of the experimental stability limit from the idealized stability limit by Taylor. A procedure to get overall stability limit against both the non-singular and the singular perturbations is discussed. 25 refs

  16. Energy stability in recirculating, energy-recovering linacs in the presence of a FEL

    International Nuclear Information System (INIS)

    Merminga, L.; Bisognano, J.; Delayen, J.R.

    1996-01-01

    Recirculating, energy-recovering linacs can be used as driver accelerators for high power FELs (free electron lasers). Instabilities which arise from fluctuations of the cavity fields are investigated. Energy changes can cause beam loss on apertures, or, when coupled to M 56 , phase oscillations. Both effects change the beam induced voltage in the cavities and can lead to unstable variations of the accelerating field. An analytical model which includes amplitude and phase feedback, has been developed to study the stability of the system for small perturbations from equilibrium. The interaction of the electron beam with the FEL is a major perturbation which affects both the stability of the system and development of startup and recovery scenarios. To simulate the system's response to such large parameter variations, a numerical model of the beam-cavity interaction has been developed which includes low level rf feedback, phase oscillations and beam loss instabilities and the FEL interaction. Agreement between the numerical model and the linear theory has been demonstrated in the limit of small perturbations. In addition, the model has been benchmarked against experimental data obtained during CEBAF's high current operation. Numerical simulations have been performed for the high power IR DEMO approved for construction at CEBAF

  17. Stability of electron-beam energy monitor for quality assurance of the electron-beam energy from radiotherapy accelerators

    International Nuclear Information System (INIS)

    Chida, Koichi; Zuguchi, Masayuki; Saito, Haruo; Takai, Yoshihiro; Mitsuya, Masatoshi; Sakakida, Hideharu; Yamada, Shogo; Kohzuki, Masahiro

    2002-01-01

    Information on electron energy is important in planning radiation therapy using electrons. The Geske 3405 electron beam energy monitor (Geske monitor, PTW Nuclear Associates, Carle Place, NY, USA) is a device containing nine ionization chambers for checking the energy of the electron beams produced by radiotherapy accelerators. We wondered whether this might increase the likelihood of ionization chamber trouble. In spite of the importance of the stability of such a quality assurance (QA) device, there are no reports on the stability of values measured with a Geske monitor. The purpose of this paper was therefore to describe the stability of a Geske monitor. It was found that the largest coefficient of variation (CV) of the Geske monitor measurements was approximately 0.96% over a 21-week period. In conclusion, the stability of Geske monitor measurements of the energy of electron beams from a linear accelerator was excellent. (author)

  18. Energy principles for linear dissipative systems with application to resistive MHD stability

    International Nuclear Information System (INIS)

    Pletzer, A.

    1997-04-01

    A formalism for the construction of energy principles for dissipative systems is presented. It is shown that dissipative systems satisfy a conservation law for the bilinear Hamiltonian provided the Lagrangian is time invariant. The energy on the other hand, differs from the Hamiltonian by being quadratic and by having a negative definite time derivative (positive power dissipation). The energy is a Lyapunov functional whose definiteness yields necessary and sufficient stability criteria. The stability problem of resistive magnetohydrodynamic (MHD) is addressed: the energy principle for ideal MHD is generalized and the stability criterion by Tasso is shown to be necessary in addition to sufficient for real growth rates. An energy principle is found for the inner layer equations that yields the resistive stability criterion D R <0 in the incompressible limit, whereas the tearing mode criterion Δ'<0 is shown to result from the conservation law of the bilinear concomitant in the resistive layer. (author) 1 fig., 25 refs

  19. Three bunch energy stabilization for the SLC injector

    International Nuclear Information System (INIS)

    Sheppard, J.C.; Almog, I.; Bambade, P.S.; Clendenin, J.E.; Jobe, R.K.; Phinney, N.; Shoaee, H.; Stiening, R.F.; Thompson, K.A.

    1986-09-01

    Slow feedback has been developed to control the energy and energy spread of the beams which are injected into the SLC damping rings. Within a single RF pulse, two bunches of electrons and one bunch of positrons are accelerated to an energy of 1.21 GeV in the injector of the SLC. The two electron bunches are deflected into the north damping ring while the positrons are targeted into the south ring. In order to fit into the acceptance of the rings, the composite energy deviation and energy spread of the beams must be less than 2% full width. Control of the beam energy characteristics is accomplished with a set of computer controlled feedback loops which monitor the parameters of the three bunches and make adjustments to the available RF energy, RF phasing, and RF timing. This paper presents an overview of the feedback algorithms and of the special hardware developments, and reports on the operational status of the processes

  20. Energy stability of droplets and dry spots in a thin film model of hanging drops

    Science.gov (United States)

    Cheung, Ka-Luen; Chou, Kai-Seng

    2017-10-01

    The 2-D thin film equation describing the evolution of hang drops is studied. All radially symmetric steady states are classified, and their energy stability is determined. It is shown that the droplet with zero contact angle is the only global energy minimizer and the dry spot with zero contact angle is a strict local energy minimizer.

  1. Electric grid stability and the design of sustainable energy systems

    DEFF Research Database (Denmark)

    Lund, Henrik

    2005-01-01

    The article presents technical designs of potential future flexible energy systems, which will be able both to balance production and demand and to secure voltage and frequency requirements on the grid.......The article presents technical designs of potential future flexible energy systems, which will be able both to balance production and demand and to secure voltage and frequency requirements on the grid....

  2. Stability of boundary layer flow based on energy gradient theory

    Science.gov (United States)

    Dou, Hua-Shu; Xu, Wenqian; Khoo, Boo Cheong

    2018-05-01

    The flow of the laminar boundary layer on a flat plate is studied with the simulation of Navier-Stokes equations. The mechanisms of flow instability at external edge of the boundary layer and near the wall are analyzed using the energy gradient theory. The simulation results show that there is an overshoot on the velocity profile at the external edge of the boundary layer. At this overshoot, the energy gradient function is very large which results in instability according to the energy gradient theory. It is found that the transverse gradient of the total mechanical energy is responsible for the instability at the external edge of the boundary layer, which induces the entrainment of external flow into the boundary layer. Within the boundary layer, there is a maximum of the energy gradient function near the wall, which leads to intensive flow instability near the wall and contributes to the generation of turbulence.

  3. Analysis Of Functional Stability Of The Triphased Asynchronous Generator Used In Conversion Systems Of A Eolian Energy Into Electric Energy

    Directory of Open Access Journals (Sweden)

    Ion VONCILA

    2003-12-01

    Full Text Available This paper presents a study of the influence of the main perturbation agent over the functional stability of the triphased asynchronous generator (for the two alternative: with coiled and short circuit rotor, used for the conversion systems from a eolian energy into electric energy.

  4. The energy stabilization for the SLC scavenger beam

    International Nuclear Information System (INIS)

    Hsu, I.; Browne, M.; Himel, T.; Humphrey, R.; Jobe, K.; Ross, M.; Pellegrin, J.L.; Seeman, J.

    1991-01-01

    The energy of the SLC scavenger beam which is used to produce positrons must be carefully maintained so that the beam can be transported through the collimators in the dispersive region of the extraction line which leads from the Linac to the positron target. A feedforward control loop has been developed to compensate the energy fluctuations due to the beam intensity fluctuations. The loop detects the beam intensities in the damping rings and then calculates how much energy needs to be compensated due to beam loading effects. The energy is corrected by adjusting the acceleration phases of two sets of klystrons right before the extraction. Because there is feedback loop using the same controls, their interaction needs to be carefully treated. This paper presents an overview of the feedforward algorithms

  5. The energy stabilization for the SLC scavenger beam

    International Nuclear Information System (INIS)

    Hsu, Ian; Browne, M.; Himel, T.; Humphrey, R.; Jobe, K.; Ross, M.; Pellegrin, J.L.; Seeman, J.

    1990-08-01

    The energy of the SLC scavenger beam which is used to produce positrons must be carefully maintained so that the beam can be transported through the collimators in the dispersive region of the extraction line which leads from the Linac to the positron target. A feedforward control loop has been developed to compensate the energy fluctuations due to the beam intensity fluctuations. The loop detects the beam intensities in the damping rings and then calculates how much energy needs to be compensated due to beam loading effects. The energy is corrected by adjusting the acceleration phases of two sets of klystrons right before the extraction. Because there is feedback loop using the same controls, their interaction needs to be carefully treated. This paper presents an overview of the feedforward algorithms. 3 figs

  6. Power system stabilizers based on distributed energy resources for damping of inter-area oscillations

    Directory of Open Access Journals (Sweden)

    Stefanov Predrag Č.

    2014-01-01

    Full Text Available This paper deals with inter-area power oscillations damping enhancement by distributed energy resources contained in typical micro grid. Main idea behind this work is to use distributed generation and distributed storage, such as battery energy storage to mimic conventional power system stabilizer, but with regulating active power output, rather than reactive power, as in standard power system stabilizer realization. The analysis of the small signal stability is established for four-machine, two-area system, with inverter based micro grids in each area. Dynamic simulation results are included in this work and they show that proposed controller provides additional damping effect to this test system.

  7. A Novel Method to Quantify Soil Aggregate Stability by Measuring Aggregate Bond Energies

    Science.gov (United States)

    Efrat, Rachel; Rawlins, Barry G.; Quinton, John N.; Watts, Chris W.; Whitmore, Andy P.

    2016-04-01

    Soil aggregate stability is a key indicator of soil quality because it controls physical, biological and chemical functions important in cultivated soils. Micro-aggregates are responsible for the long term sequestration of carbon in soil, therefore determine soils role in the carbon cycle. It is thus vital that techniques to measure aggregate stability are accurate, consistent and reliable, in order to appropriately manage and monitor soil quality, and to develop our understanding and estimates of soil as a carbon store to appropriately incorporate in carbon cycle models. Practices used to assess the stability of aggregates vary in sample preparation, operational technique and unit of results. They use proxies and lack quantification. Conflicting results are therefore drawn between projects that do not provide methodological or resultant comparability. Typical modern stability tests suspend aggregates in water and monitor fragmentation upon exposure to an un-quantified amount of ultrasonic energy, utilising a laser granulometer to measure the change in mean weight diameter. In this project a novel approach has been developed based on that of Zhu et al., (2009), to accurately quantify the stability of aggregates by specifically measuring their bond energies. The bond energies are measured operating a combination of calorimetry and a high powered ultrasonic probe, with computable output function. Temperature change during sonication is monitored by an array of probes which enables calculation of the energy spent heating the system (Ph). Our novel technique suspends aggregates in heavy liquid lithium heteropolytungstate, as opposed to water, to avoid exposing aggregates to an immeasurable disruptive energy source, due to cavitation, collisions and clay swelling. Mean weight diameter is measured by a laser granulometer to monitor aggregate breakdown after successive periods of calculated ultrasonic energy input (Pi), until complete dispersion is achieved and bond

  8. Interplay Between Energy-Market Dynamics and Physical Stability of a Smart Power Grid

    Science.gov (United States)

    Picozzi, Sergio; Mammoli, Andrea; Sorrentino, Francesco

    2013-03-01

    A smart power grid is being envisioned for the future which, among other features, should enable users to play the dual role of consumers as well as producers and traders of energy, thanks to emerging renewable energy production and energy storage technologies. As a complex dynamical system, any power grid is subject to physical instabilities. With existing grids, such instabilities tend to be caused by natural disasters, human errors, or weather-related peaks in demand. In this work we analyze the impact, upon the stability of a smart grid, of the energy-market dynamics arising from users' ability to buy from and sell energy to other users. The stability analysis of the resulting dynamical system is performed assuming different proposed models for this market of the future, and the corresponding stability regions in parameter space are identified. We test our theoretical findings by comparing them with data collected from some existing prototype systems.

  9. Remarks on high energy stability and renormalizability of gravity theory

    International Nuclear Information System (INIS)

    Salam, A.; Strathdee, J.

    1978-02-01

    Arguing that high-energy (Froissart) boundedness of gravitational cross-sections may make it necessary to supplement Einstein's Lagrangian with terms containing R 2 and Rsup(μν)Rsub(μν), criteria are suggested which, if satisfied, could make the tensor ghost in such a theory innocuous

  10. The energy and stability of D-term strings

    International Nuclear Information System (INIS)

    Collinucci, Andres; Smyth, Paul; Proeyen, Antoine van

    2007-01-01

    Cosmic strings derived from string theory, supergravity or any theory of choice should be stable if we hope to observe them. In this paper we consider D-term strings in D = 4 , N = 1 supergravity with a constant Fayet-Iliopoulos term. We show that the positive deficit angle supersymmetric D-term string is non-perturbatively stable by using standard Witten-Nester techniques to prove a positive energy theorem. Particular attention is paid to the negative deficit angle D-term string, which is known to violate the dominant energy condition. Within the class of string solutions we consider, this violation implies that the negative deficit angle D-term string must have a naked pathology and therefore the positive energy theorem we prove does not apply to it. As an interesting aside, we show that the Witten-Nester charge calculates the total gravitational energy of the D-term string without the need for a cut-off, which may not have been expected

  11. CAN THE STABILITY OF PROTEIN MUTANTS BE PREDICTED BY FREE-ENERGY CALCULATIONS

    NARCIS (Netherlands)

    YUNYU, S; MARK, AE; WANG, CX; HUANG, FH; BERENDSEN, HJC; VANGUNSTEREN, WF

    The use of free energy simulation techniques in the study of protein stability is critically evaluated. Results from two simulations of the thermostability mutation Asn218 to Ser218 in Subtilisin are presented. It is shown that components of the free energy change can be highly sensitive to the

  12. Reforming Mexico’s Energy Sector to Enhance Stability

    Science.gov (United States)

    2011-10-27

    requirement to reform Mexico’s energy sector. Subsequent analysis demonstrates government ownership of Petroleos Mexico (Pemex) is the fundamental...ownership of Petroleos Mexico (Pemex) is the fundamental destabilizing flaw in regulatory policy, by tracing various problems back to this root cause... Petroleos Mexico (Pemex) is the second largest company in Latin America and the seventh largest producer of oil in the world.1 The government of

  13. Production of Low Cost Carbon-Fiber through Energy Optimization of Stabilization Process

    Directory of Open Access Journals (Sweden)

    Gelayol Golkarnarenji

    2018-03-01

    Full Text Available To produce high quality and low cost carbon fiber-based composites, the optimization of the production process of carbon fiber and its properties is one of the main keys. The stabilization process is the most important step in carbon fiber production that consumes a large amount of energy and its optimization can reduce the cost to a large extent. In this study, two intelligent optimization techniques, namely Support Vector Regression (SVR and Artificial Neural Network (ANN, were studied and compared, with a limited dataset obtained to predict physical property (density of oxidative stabilized PAN fiber (OPF in the second zone of a stabilization oven within a carbon fiber production line. The results were then used to optimize the energy consumption in the process. The case study can be beneficial to chemical industries involving carbon fiber manufacturing, for assessing and optimizing different stabilization process conditions at large.

  14. Superconducting energy stabilizer with charging and discharging DC-DC converters

    International Nuclear Information System (INIS)

    Kim, S.H.; Kostecki, E.L.; DeWinkel, C.C.

    1992-01-01

    This patent describes a superconducting energy stabilizer having multiple load connections and employing DC-DC conversion for storing energy in a superconducting inductive energy storage device having a first end and a second end, and for releasing the stored energy from the superconducting inductive energy storage device to a load or loads or to a utility or an industrial electrical distribution system, the superconducting energy stabilizer having multiple load connections and employing DC-DC conversion. It comprises: energy storage cell means for supplying energy to the load, discharging DC-DC converter means for releasing energy from the superconducting inductive energy storage device to the energy storage cell means, the discharging DC-DC converter means having input terminals, output terminals, and a discharging control line means for carrying signals controlling the operation of the discharging DC-DC converter means, one of the input terminals of the discharging DC-DC converter means coupled to the first end of the superconducting energy storage device

  15. Fast feedback system for energy and beam stabilization

    International Nuclear Information System (INIS)

    R. Dickson; V. Lebedev

    1999-01-01

    The electron beams being delivered to targets of the Continuous Electron Beam Accelerator Facility (CEBAF) at Thomas Jefferson National Accelerator Facility (Jefferson Lab) are plagued with undesirable positional and energy fluctuations. These fluctuations primarily occur at harmonics of the power line frequency (60, 120, 180, etc. hertz), and their cause is rooted in electromagnetic fields generated by accelerator electronic equipment. It is possible to largely nullify these deviations by applying real time corrections to electromagnets and RF verniers along the beam line. This concept has been successfully applied at Jefferson Lab by extensively modifying the existing Beam Position Monitor (BPM) system with the integration of an algorithm that computes correction signals targeted at the power line harmonics. Many of the modifications required were due to the existing CEBAF BPM system not having the data acquisition bandwidth needed for this type of feedback system. This paper will describe the techniques required to transform the CEBAF standard BPM system into a high speed practical fast feedback system that coexists with the large scale control system--the Experimental Physics and Industrial Control System (EPICS)--that runs the CEBAF accelerator in daily operation

  16. The CLIC stability study on the feasibility of colliding high energy nanobeams

    CERN Document Server

    Assmann, R W; Guignard, Gilbert; Leros, Nicolas; Redaelli, S; Schulte, Daniel; Wilson, Ian H; Zimmermann, Frank

    2002-01-01

    The Compact Linear Collider (CLIC) study at CERN proposes a linear collider with nanometer-size colliding beams at an energy of 3 TeV c.m. ("colliding high energy nanobeams"). The transport, demagnification and collision of these nanobeams imposes magnet vibration tolerances that range from 0.2 nm to a few nanometers. This is well below the floor vibration usually observed. A test stand for magnet stability was set-up at CERN in the immediate neighborhood of roads, operating accelerators, workshops, and regular office space. It was equipped with modern stabilization equipment. The experimental setup and first preliminary results are presented. (10 refs).

  17. High-throughput DFT calculations of formation energy, stability and oxygen vacancy formation energy of ABO3 perovskites

    Science.gov (United States)

    Emery, Antoine A.; Wolverton, Chris

    2017-10-01

    ABO3 perovskites are oxide materials that are used for a variety of applications such as solid oxide fuel cells, piezo-, ferro-electricity and water splitting. Due to their remarkable stability with respect to cation substitution, new compounds for such applications potentially await discovery. In this work, we present an exhaustive dataset of formation energies of 5,329 cubic and distorted perovskites that were calculated using first-principles density functional theory. In addition to formation energies, several additional properties such as oxidation states, band gap, oxygen vacancy formation energy, and thermodynamic stability with respect to all phases in the Open Quantum Materials Database are also made publicly available. This large dataset for this ubiquitous crystal structure type contains 395 perovskites that are predicted to be thermodynamically stable, of which many have not yet been experimentally reported, and therefore represent theoretical predictions. The dataset thus opens avenues for future use, including materials discovery in many research-active areas.

  18. A Pathway to Reduce Energy Consumption in the Thermal Stabilization Process of Carbon Fiber Production

    Directory of Open Access Journals (Sweden)

    Srinivas Nunna

    2018-05-01

    Full Text Available Process parameters, especially in the thermal stabilization of polyacrylonitrile (PAN fibers, play a critical role in controlling the cost and properties of the resultant carbon fibers. This study aimed to efficiently handle the energy expense areas during carbon fiber manufacturing without reducing the quality of carbon fibers. We introduced a new parameter (recirculation fan frequency in the stabilization stage and studied its influence on the evolution of the structure and properties of fibers. Initially, the progress of the cyclization reaction in the fiber cross-sections with respect to fan frequencies (35, 45, and 60 Hz during stabilization was analyzed using the Australian Synchrotron-high resolution infrared imaging technique. A parabolic trend in the evolution of cyclic structures was observed in the fiber cross-sections during the initial stages of stabilization; however, it was transformed to a uniform trend at the end of stabilization for all fan frequencies. Simultaneously, the microstructure and property variations at each stage of manufacturing were assessed. We identified nominal structural variations with respect to fan frequencies in the intermediate stages of thermal stabilization, which were reduced during the carbonization process. No statistically significant variations were observed between the tensile properties of fibers. These observations suggested that, when using a lower fan frequency (35 Hz, it was possible to manufacture carbon fibers with a similar performance to those produced using a higher fan frequency (60 Hz. As a result, this study provided an opportunity to reduce the energy consumption during carbon fiber manufacturing.

  19. Stabilization

    Directory of Open Access Journals (Sweden)

    Muhammad H. Al-Malack

    2016-07-01

    Full Text Available Fuel oil flyash (FFA produced in power and water desalination plants firing crude oils in the Kingdom of Saudi Arabia is being disposed in landfills, which increases the burden on the environment, therefore, FFA utilization must be encouraged. In the current research, the effect of adding FFA on the engineering properties of two indigenous soils, namely sand and marl, was investigated. FFA was added at concentrations of 5%, 10% and 15% to both soils with and without the addition of Portland cement. Mixtures of the stabilized soils were thoroughly evaluated using compaction, California Bearing Ratio (CBR, unconfined compressive strength (USC and durability tests. Results of these tests indicated that stabilized sand mixtures could not attain the ACI strength requirements. However, marl was found to satisfy the ACI strength requirement when only 5% of FFA was added together with 5% of cement. When the FFA was increased to 10% and 15%, the mixture’s strength was found to decrease to values below the ACI requirements. Results of the Toxicity Characteristics Leaching Procedure (TCLP, which was performed on samples that passed the ACI requirements, indicated that FFA must be cautiously used in soil stabilization.

  20. Planning for Micro-grid with Static Voltage Stability and Maximizing Renewable Energy Utilization

    Science.gov (United States)

    Zhou, Youfu; Zhang, Yuhong; Lv, Xuehai; Zhang, Wentai; Wei, Jun; Zhang, Changhua; Chen, Xin

    2017-05-01

    The access position and capacity of distribution generation (DG) affect the static voltage stability of micro-grid, thus affecting the renewable energy utilization. In the current reform of the energy supply side, a multi-objective optimization model is established, aiming at the abandoning wind and abandoning light problem. This model has three advantages, which are the largest renewable energy utilization, static voltage stability of micro-grid and the minimum cost of DG investment considering environmental benefits. It can effectively promote the use of wind power, photovoltaic power generation and other renewable energy sources. In this paper, the multi-objective optimization problem is transformed into a single objective programming problem by using the deviation method; the optimal solution of multi-objective function is solved by using particle swarm optimization algorithm, so as to establish the planning scheme of micro-grid. Simulation results prove the correctness and feasibility of the optimization method.

  1. Angle-resolved photoelectron spectroscopy of cyclopropane

    Science.gov (United States)

    Keller, P. R.; Taylor, J. W.; Carlson, Thomas A.; Whitley, T. A.; Grimm, F. A.

    1985-10-01

    The angular distribution parameter, β, determined for the valence orbitals (IP < 18 eV) of cyclopropane in the 10-30 eV photon energy range using dispersed polarized synchrotron radiation. The energy dependence of β for photoelectron energies between, 2 and 10 eV above threshold was found to be similar to those found previously for other σ orbitals. The effects of Jahn-Teller splitting on β for the 3e' orbital were found to be small but definitely present. The overall shape and magnitude of the β( hv) curve are, however, sufficiently for the different Jahn-Teller components that, for purposes of orbital assignments using β( hv) curves the shape and magnitude of the curves can be considered associated only with the initial state. Resonance photoionization features at a photon ener of ≈ 18 eV were observed in the 3e' and 3a' 1 orbitals and tentatively assigned to autoionization.

  2. A unifying energy-based approach to stability of power grids with market dynamics

    NARCIS (Netherlands)

    Stegink, Tjerk; De Persis, Claudio; van der Schaft, Arjan

    2017-01-01

    In this paper a unifying energy-based approach is provided to the modeling and stability analysis of power systems coupled with market dynamics. We consider a standard model of the power network with a third-order model for the synchronous generators involving voltage dynamics. By applying the

  3. Influence of energy and duration of laser pulses on stability of dielectric nanoparticles in optical trap

    International Nuclear Information System (INIS)

    Ho Quang Quy; Mai Van Luu; Hoang Dinh Hai

    2010-01-01

    In this article the gradient force of optical trap using two counter- propagating pulsed Gaussian beam and the Brownian motion in optical force field are investigated. The influence of the energy and duration time of optical pulsed Gaussian beams on stability of nano-particle in trap is simulated and discussed. (author)

  4. Preliminary long-term stability criteria for compressed air energy storage caverns in salt domes

    Energy Technology Data Exchange (ETDEWEB)

    Thoms, R.L.; Martinez, J.D.

    1978-08-01

    Air storage caverns, which are an essential and integral component of a CAES plant, should be designed and operated so as to perform satisfactorily over the intended life of the overall facility. It follows that the long-term ''stability'' of air storage caverns must be considered as a primary concern in projecting the satisfactory operation of CAES facilities. As used in the report, ''stability'' of a storage cavern implies the extent to which an acceptable amount of cavern storage volume can be utilized with routine maintenance for a specified time interval, e.g., 35 years. In this context, cavern stability is relative to both planned utilization and time interval of operation. The objective of the study was to review the existing literature and consult knowledgeable workers in the storage industry, and then report state-of-the-art findings relative to long-term stability of compressed air energy storage caverns in salt domes. Further, preliminary cavern stability criteria were to be presented in a form consistent with the amount of information available on cavern performance in salt domes. Another objective of the study was to outline a methodology for determining the long-term stability of site-specific CAES cavern systems in salt domes.

  5. Multiple sample setup for testing the hydrothermal stability of adsorbents in thermal energy storage applications

    International Nuclear Information System (INIS)

    Fischer, Fabian; Laevemann, Eberhard

    2015-01-01

    Thermal energy storage based on adsorption and desorption of water on an adsorbent can achieve high energy storage densities. Many adsorbents lose adsorption capacity when operated under unfavourable hydrothermal conditions during adsorption and desorption. The stability of an adsorbent against stressing hydrothermal conditions is a key issue for its usability in adsorption thermal energy storage. We built an experimental setup that simultaneously controls the hydrothermal conditions of 16 samples arranged in a matrix of four temperatures and four water vapour pressures. This setup allows the testing of potential adsorbents between temperatures of 50 °C and 350 °C and water vapour pressures of up to 32 kPa. A measurement procedure that allows the detection of the hydrothermal stability of an adsorbent after defined time spans has been designed. We verified the functionality of the multiple sample measurements with a microporous adsorbent, a zeolite NaMSX. The hydrothermal stability of this zeolite is tested by water uptake measurements. A standard deviation lower than 1% of the 16 samples for detecting the hydrothermal stability enables setting different conditions in each sample cell. Further, we compared the water uptake measurements by measuring their adsorption isotherms with the volumetric device BELSORP Aqua 3 from Bel Japan. (paper)

  6. Stability-Aware Geographic Routing in Energy Harvesting Wireless Sensor Networks

    Directory of Open Access Journals (Sweden)

    Tran Dinh Hieu

    2016-05-01

    Full Text Available A new generation of wireless sensor networks that harvest energy from environmental sources such as solar, vibration, and thermoelectric to power sensor nodes is emerging to solve the problem of energy limitation. Based on the photo-voltaic model, this research proposes a stability-aware geographic routing for reliable data transmissions in energy-harvesting wireless sensor networks (EH-WSNs to provide a reliable routes selection method and potentially achieve an unlimited network lifetime. Specifically, the influences of link quality, represented by the estimated packet reception rate, on network performance is investigated. Simulation results show that the proposed method outperforms an energy-harvesting-aware method in terms of energy consumption, the average number of hops, and the packet delivery ratio.

  7. An assessment of the impact of energy insecurity on state stability in India

    International Nuclear Information System (INIS)

    Varigonda, Kesava Chandra

    2013-01-01

    This paper studies the relation between energy insecurity and state stability in India. Primarily it looks at the ways in which specific aspects of energy insecurity impact the stability of the Indian state. The paper contends that energy insecurity in the form of fuel supply and electricity supply insecurities gives rise to social and political instability, which in extreme forms could lead to state destabilisation. A combination of inadequate and unreasonably priced fuel supply gives rise to instability in the social and political spheres; if the fuel supply is also unreliable, it could lead to chronic socio-political instability. Likewise, a combination of inadequate and unreliable electricity supply could, in certain instances, cause limited social instability; if this is also accompanied by an electricity price hike, it could lead to chronic socio-political instability. Chronic socio-political instability in an already weakened state could facilitate state destabilisation. - Highlights: • Studies the impact of energy insecurity on the stability of the Indian state. • Secondary sources from press releases of the last three decades are examined. • Fuel supply and electricity supply insecurities cause socio-political instability. • Chronic socio-political instability may lead to destabilisation of a week state

  8. A decentralised multi-agent approach to enhance the stability of smart microgrids with renewable energy

    Science.gov (United States)

    Rahman, M. S.; Pota, H. R.; Mahmud, M. A.; Hossain, M. J.

    2016-05-01

    This paper presents the impact of large penetration of wind power on the transient stability through a dynamic evaluation of the critical clearing times (CCTs) by using intelligent agent-based approach. A decentralised multi-agent-based framework is developed, where agents represent a number of physical device models to form a complex infrastructure for computation and communication. They enable the dynamic flow of information and energy for the interaction between the physical processes and their activities. These agents dynamically adapt online measurements and use the CCT information for relay coordination to improve the transient stability of power systems. Simulations are carried out on a smart microgrid system for faults at increasing wind power penetration levels and the improvement in transient stability using the proposed agent-based framework is demonstrated.

  9. Ab initio study on stacking sequences, free energy, dynamical stability and potential energy surfaces of graphite structures

    International Nuclear Information System (INIS)

    Anees, P; Valsakumar, M C; Chandra, Sharat; Panigrahi, B K

    2014-01-01

    Ab initio simulations have been performed to study the structure, energetics and stability of several plausible stacking sequences in graphite. These calculations suggest that in addition to the standard structures, graphite can also exist in AA-simple hexagonal, AB-orthorhombic and ABC-hexagonal type stacking. The free energy difference between these structures is very small (∼1 meV/atom), and hence all the structures can coexist from purely energetic considerations. Calculated x-ray diffraction patterns are similar to those of the standard structures for 2θ ⩽ 70°. Shear elastic constant C 44 is negative in AA-simple hexagonal, AB-orthorhombic and ABC-hexagonal structures, suggesting that these structures are mechanically unstable. Phonon dispersions show that the frequencies of some modes along the Γ–A direction in the Brillouin zone are imaginary in all of the new structures, implying that these structures are dynamically unstable. Incorporation of zero point vibrational energy via the quasi-harmonic approximation does not result in the restoration of dynamical stability. Potential energy surfaces for the unstable normal modes are seen to have the topography of a potential hill for all the new structures, confirming that all of the new structures are inherently unstable. The fact that the potential energy surface is not in the form of a double well implies that the structures are linearly as well as globally unstable. (paper)

  10. Stability of Thin Shell Wormholes in Born-Infeld Theory Supported by Polytropic Phantom Energy

    Energy Technology Data Exchange (ETDEWEB)

    Eid, Ali [Cairo University, Giza (Egypt)

    2017-02-15

    In the framework of the Darmois-Israel formalism, the dynamical equations of motion of spherically-symmetric thin-shell wormholes supported by a polytropic phantom energy in Einstein-Born-Infeld theory are constructed. A stability analysis of the spherically-symmetric thin-shell wormhole by using the standard potential method is carried out. The existence of stable, static solutions depends on the values of some parameters.

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

    Science.gov (United States)

    Dowden, Paul C.; Jia, Quanxi

    2016-05-31

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

  12. Energy intensity decline implications for stabilization of atmospheric CO2 content

    International Nuclear Information System (INIS)

    Lightfoot, H.D.; Green, C.

    2002-01-01

    By calculating the amount of carbon-free energy required to stabilize the level of carbon dioxide in the atmosphere at some level, such as 550 parts per million by volume (ppmv) in 2100, the authors estimate the appropriate rate of world average annual energy intensity decline. The roles played by energy efficiency and long term sectoral changes like shifts in economic activity from high energy intensity sectors or industries to low energy intensity sectors or industries are distinguished. Advances in technology and better and improved procedures, as well as a broader adoption of more efficient technologies currently available are included in the improvements made in energy efficiency. The objective was, for the period 1990 to 2100 (110 years), to estimate the potential energy efficiency increase for world electricity generation. It is noted that electricity generation represents 38 per cent of world energy consumption in 1995, while transportation accounts for 19 per cent and residential, industrial and commercial uses account for 43 per cent. In 2100, it is expected that the overall average decline in energy intensity will be 40.1 per cent of that of 1990, according to the results obtained. Looked at from another perspective, it represents an average annual rate of energy intensity decline of 0.83 per cent for 110 years. Between 0.16 and 0.30 per cent could be added to the impact of sectoral changes on the average annual rate of decline in energy intensity, while 0.83 per cent would be attributable to improvements in energy efficiency, as shown by sensitivity analysis. 33 refs., 9 tabs., 1 fig

  13. Dynamical investigation and parameter stability region analysis of a flywheel energy storage system in charging mode

    International Nuclear Information System (INIS)

    Zhang Wei-Ya; Li Yong-Li; Chang Xiao-Yong; Wang Nan

    2013-01-01

    In this paper, the dynamic behavior analysis of the electromechanical coupling characteristics of a flywheel energy storage system (FESS) with a permanent magnet (PM) brushless direct-current (DC) motor (BLDCM) is studied. The Hopf bifurcation theory and nonlinear methods are used to investigate the generation process and mechanism of the coupled dynamic behavior for the average current controlled FESS in the charging mode. First, the universal nonlinear dynamic model of the FESS based on the BLDCM is derived. Then, for a 0.01 kWh/1.6 kW FESS platform in the Key Laboratory of the Smart Grid at Tianjin University, the phase trajectory of the FESS from a stable state towards chaos is presented using numerical and stroboscopic methods, and all dynamic behaviors of the system in this process are captured. The characteristics of the low-frequency oscillation and the mechanism of the Hopf bifurcation are investigated based on the Routh stability criterion and nonlinear dynamic theory. It is shown that the Hopf bifurcation is directly due to the loss of control over the inductor current, which is caused by the system control parameters exceeding certain ranges. This coupling nonlinear process of the FESS affects the stability of the motor running and the efficiency of energy transfer. In this paper, we investigate into the effects of control parameter change on the stability and the stability regions of these parameters based on the averaged-model approach. Furthermore, the effect of the quantization error in the digital control system is considered to modify the stability regions of the control parameters. Finally, these theoretical results are verified through platform experiments. (interdisciplinary physics and related areas of science and technology)

  14. Stabilization of Wind Energy Conversion System with Hydrogen Generator by Using EDLC Energy Storage System

    Science.gov (United States)

    Shishido, Seiji; Takahashi, Rion; Murata, Toshiaki; Tamura, Junji; Sugimasa, Masatoshi; Komura, Akiyoshi; Futami, Motoo; Ichinose, Masaya; Ide, Kazumasa

    The spread of wind power generation is progressed hugely in recent years from a viewpoint of environmental problems including global warming. Though wind power is considered as a very prospective energy source, wind power fluctuation due to the random fluctuation of wind speed has still created some problems. Therefore, research has been performed how to smooth the wind power fluctuation. This paper proposes Energy Capacitor System (ECS) for the smoothing of wind power which consists of Electric Double-Layer Capacitor (EDLC) and power electronics devices and works as an electric power storage system. Moreover, hydrogen has received much attention in recent years from a viewpoint of exhaustion problem of fossil fuel. Therefore it is also proposed that a hydrogen generator is installed at the wind farm to generate hydrogen. In this paper, the effectiveness of the proposed system is verified by the simulation analyses using PSCAD/EMTDC.

  15. Stabilization of microgrid with intermittent renewable energy sources by SMES with optimal coil size

    International Nuclear Information System (INIS)

    Saejia, M.; Ngamroo, I.

    2011-01-01

    A controller design of a superconducting magnetic energy storage unit is proposed. The structure of a power controller is the practical proportional-integral (PI). The PI parameters and coil size are tuned by a particle swarm optimization. The proposed method is able to effectively alleviate power fluctuations. It is well known that the superconducting coil is the vital part of a superconducting magnetic energy storage (SMES) unit. This paper deals with the power controller design of a SMES unit with an optimal coil size for stabilization of an isolated microgrid. The study microgrid consists of renewable energy sources with intermittent power outputs i.e., wind and photovoltaic. Since power generations from such renewable sources are unpredictable and variable, these result in power fluctuations in a microgrid. To stabilize power fluctuations, a SMES unit with a fast control of active and reactive power can be applied. The structure of a power controller is the practical proportional-integral (PI). Based on the minimization of the variance of power fluctuations from renewable sources as well as the initial stored energy of SMES, the optimal PI parameters and coil size are automatically and simultaneously tuned by a particle swarm optimization. Simulation studies show that the proposed SMES controller with an optimal coil size is able to effectively alleviate power fluctuations under various power patterns from intermittent renewable sources.

  16. Stabilization of microgrid with intermittent renewable energy sources by SMES with optimal coil size

    Energy Technology Data Exchange (ETDEWEB)

    Saejia, M., E-mail: samongkol@gmail.com [School of Electrical Engineering, Faculty of Engineering, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Ngamroo, I. [School of Electrical Engineering, Faculty of Engineering, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand)

    2011-11-15

    A controller design of a superconducting magnetic energy storage unit is proposed. The structure of a power controller is the practical proportional-integral (PI). The PI parameters and coil size are tuned by a particle swarm optimization. The proposed method is able to effectively alleviate power fluctuations. It is well known that the superconducting coil is the vital part of a superconducting magnetic energy storage (SMES) unit. This paper deals with the power controller design of a SMES unit with an optimal coil size for stabilization of an isolated microgrid. The study microgrid consists of renewable energy sources with intermittent power outputs i.e., wind and photovoltaic. Since power generations from such renewable sources are unpredictable and variable, these result in power fluctuations in a microgrid. To stabilize power fluctuations, a SMES unit with a fast control of active and reactive power can be applied. The structure of a power controller is the practical proportional-integral (PI). Based on the minimization of the variance of power fluctuations from renewable sources as well as the initial stored energy of SMES, the optimal PI parameters and coil size are automatically and simultaneously tuned by a particle swarm optimization. Simulation studies show that the proposed SMES controller with an optimal coil size is able to effectively alleviate power fluctuations under various power patterns from intermittent renewable sources.

  17. Energy Management System Based on Fuzzy fractional order PID Controller for Transient Stability Improvement in Microgrids with Energy Storage

    DEFF Research Database (Denmark)

    Moafi, Milad; Marzband, Mousa; Savaghebi, Mehdi

    2016-01-01

    in the islanded Microgrid (MG). To increase performance for a wide range of power system operating conditions, an energy management systems (EMS) is proposed based on a fuzzy fractional order PID (FFOPID) controller. It is able to analyze and simulate the dynamic behavior in grid connected MGs. This controller...... is proposed in the MG encompassing distributed generation resources with “plug and play” ability. The performance of FFOPID controller is verified for frequency control purposes and to support internal bus voltage in both islanded and grid connected operating modes in accordance with the failure time. Energy...... combined with a PID-controller (termed as FLPID) and Fuzzy fractional order PID (termed as FFOPID) are implemented according to the characteristics and limitations of overloading and state of charge (SOC). The obtained results show good performance of FFOPID controllers by improving the transient stability...

  18. Power Output Stability Research for Harvesting Automobile Exhaust Energy with Heat Capacity Material as Intermediate Medium

    Science.gov (United States)

    Xiao, Longjie; He, Tianming; Mei, Binyu; Wang, Yiping; Wang, Zongsong; Tan, Gangfeng

    2018-06-01

    Automobile exhaust energy thermoelectric utilization can promote energy-saving and emission-reduction. Unexpected urban traffic conditions lead to the hot-end temperature instability of the exhaust pipe-mounted thermoelectric generator (TEG), and influence the TEG power generation efficiency. The heat conduction oil circulation located at the hot-end could smooth the temperature fluctuation, at the expense of larger system size and additional energy supply. This research improves the TEG hot-end temperature stability by installing solid heat capacity material (SHCM) to the area between the outer wall of the exhaust pipe and the TEG, which has the merits of simple structure, light weight and no additional energy consumption. The exhaust temperature and flow rate characteristics with various driving conditions are firstly studied for the target engine. Then the convective heat transfer models of SHCM's hot-end and thermoelectric material's cold-end are established. Meanwhile, SHCM thermal properties' effects on the amplitude and response speed of the TEG hot-end temperature are studied. The candidate SHCM with the characteristics of low thermal resistance and high heat capacity is determined. And the heat transfer model going through from TEG's hot-end to the cold-end is established. The results show that the SHCM significantly improves the TEG hot-end temperature stability but slightly reduces the average power output. When the engine working conditions change a lot, the SHCM's improvement on the TEG hot-end temperature stability is more significant, but the reduction of the average power output becomes more remarkable.

  19. Binding energy and mechanical stability of single- and multi-walled carbon nanotube serpentines

    International Nuclear Information System (INIS)

    Zhao, Junhua; Lu, Lixin; Rabczuk, Timon

    2014-01-01

    Recently, Geblinger et al. [Nat. Nanotechnol. 3, 195 (2008)] and Machado et al. [Phys. Rev. Lett. 110, 105502 (2013)] reported the experimental and molecular dynamics realization of S-like shaped single-walled carbon nanotubes (CNTs), the so-called CNT serpentines. We reported here results from continuum modeling of the binding energy γ between different single- and multi-walled CNT serpentines and substrates as well as the mechanical stability of the CNT serpentine formation. The critical length for the mechanical stability and adhesion of different CNT serpentines are determined in dependence of E i I i , d, and γ, where E i I i and d are the CNT bending stiffness and distance of the CNT translation period. Our continuum model is validated by comparing its solution to full-atom molecular dynamics calculations. The derived analytical solutions are of great importance for understanding the interaction mechanism between different single- and multi-walled CNT serpentines and substrates

  20. Stabilizing the Locomotor-Respiratory Coupling Using a Metronome to Save Energy

    Directory of Open Access Journals (Sweden)

    Villard Sébastien J.

    2011-12-01

    Full Text Available The Locomotor-Respiratory Coupling (LRC is often evidenced by phase- or frequency-locking patterns. The model of the sine circle map is used here to characterize LRC. Several studies have suggested that a sound emitted by an external metronome can stabilize the LRC. Participants in our task were asked during a cycling exercise to synchronize either their respiration or their pedaling rate with an external auditory stimulus corresponding to their preferred respiratory and pedaling frequencies respectively. Our results showed a significant reduction in energy expenditure when participants breathed in sync with the auditory stimulation, but not accompanied by a change in the stabilization of LRC. A large within- as well as between-participants LRC variability, together with the spontaneous adoption of the most stable pace, contributes to explain this result.

  1. On the analysis of the beam energy stabilization in the Van de Graaff accelerator 'Lech'

    International Nuclear Information System (INIS)

    Bienkowski, A.; Jaskola, M.; Zemlo, L.

    1977-01-01

    In the Van de Graaff accelerator LECH the deviation of the beam energy from the desired value is detected by the standard analysing system consisting of the 90 0 bending magnet followed by a pair of slits. The amplified error signal from that slits is used to correct the high voltage at the terminal. Corrections of the fast component of the voltage instability are made via the corona-triode and for the slow component via adjustment of the belt charging current. In order to determine the maximum gain factors providing the stable operating conditions a definite transfer function has been adopted for the aforementioned two loop stabilizer. Next this function has been applied to the analysis of the stability of the feedback system. Although the calculation was made for parameters of the accelerator LECH, the same method is easily applicable to other Van de Graaff accelerators

  2. A Practice-Oriented Bifurcation Analysis for Pulse Energy Converters: A Stability Margin

    Science.gov (United States)

    Kolokolov, Yury; Monovskaya, Anna

    The popularity of systems of pulse energy conversion (PEC-systems) for practical applications is due to the heightened efficiency of energy conversion processes with comparatively simple realizations. Nevertheless, a PEC-system represents a nonlinear object with a variable structure, and the bifurcation analysis remains the basic tool to describe PEC dynamics evolution. The paper is devoted to the discussion on whether the scientific viewpoint on the natural nonlinear dynamics evolution can be involved in practical applications. We focus on the problems connected with stability boundaries of an operating regime. The results of both small-signal analysis and computational bifurcation analysis are considered in the parametrical space in comparison with the results of the experimental identification of the zonal heterogeneity of the operating process. This allows to propose an adapted stability margin as a sufficiently safe distance before the point after which the operating process begins to lose the stability. Such stability margin can extend the permissible operating domain in the parametrical space at the expense of using cause-and-effect relations in the context of natural regularities of nonlinear dynamics. Reasoning and discussion are based on the experimental and computational results for a synchronous buck converter with a pulse-width modulation. The presented results can be useful, first of all, for PEC-systems with significant variation of equivalent inductance and/or capacity. We believe that the discussion supports a viewpoint by which the contemporary methods of the computational and experimental bifurcation analyses possess both analytical abilities and experimental techniques for promising solutions which could be practice-oriented for PEC-systems.

  3. Calculating the wind energy input to a system using a spatially explicit method that considers atmospheric stability

    Science.gov (United States)

    Atmospheric stability has a major effect in determining the wind energy doing work in the atmospheric boundary layer (ABL); however, it is seldom considered in determining this value in emergy analyses. One reason that atmospheric stability is not usually considered is that a sui...

  4. Energy Stability Analysis of Some Fully Discrete Numerical Schemes for Incompressible Navier–Stokes Equations on Staggered Grids

    KAUST Repository

    Chen, Huangxin; Sun, Shuyu; Zhang, Tao

    2017-01-01

    In this paper we consider the energy stability estimates for some fully discrete schemes which both consider time and spatial discretizations for the incompressible Navier–Stokes equations. We focus on three kinds of fully discrete schemes, i

  5. Self-consistent study of nuclei far from stability with the energy density method

    CERN Document Server

    Tondeur, F

    1981-01-01

    The self-consistent energy density method has been shown to give good results with a small number of parameters for the calculation of nuclear masses, radii, deformations, neutron skins, shell and sub- shell effects. It is here used to study the properties of nuclei far from stability, like densities, shell structure, even-odd mass differences, single-particle potentials and nuclear deformations. A few possible consequences of the results for astrophysical problems are briefly considered. The predictions of the model in the super- heavy region are summarised. (34 refs).

  6. Stability of amorphous Ge-As(Sb)-Se films to high-energy electron irradiation

    International Nuclear Information System (INIS)

    Savchenko, N.D.

    1999-01-01

    The results of the investigation of high-energy electron (6.5 MeV) irradiation effect on structure, optical, electrical and mechanical properties for thin films obtained by thermal evaporation of Ge-As-Se and Ge-Sb-Se glasses have been presented. The electron-induced changes in film properties versus average coordination number and relative free volume for bulk glasses have been discussed. It has been found that the higher radiation stability is characteristic to the films deposited from the glasses with the lower relative free volume

  7. Development of bubble chambers with enhanced stability and sensitivity to low-energy nuclear recoils

    International Nuclear Information System (INIS)

    Bolte, W.J.; Collar, J.I.; Crisler, M.; Hall, J.; Holmgren, D.; Nakazawa, D.; Odom, B.; O'Sullivan, K.; Plunkett, R.; Ramberg, E.; Raskin, A.; Sonnenschein, A.; Vieira, J.D.

    2007-01-01

    The viability of using Bubble Chambers as dark matter particle detectors is considered. Techniques leading to the enhanced chamber stability needed for this new application are described in detail. Prototype trials show that sensitivity to the low-energy nuclear recoils induced by Weakly Interacting Massive Particles (WIMP) is possible in conditions of extreme insensitivity to minimum ionizing backgrounds. An understanding of detector response is demonstrated using existing theoretical models. We briefly comment on the prospects for detection of supersymmetric dark matter with large CF 3 I chambers

  8. Improved two-loop beam energy stabilizer for an FN tandem accelerator

    International Nuclear Information System (INIS)

    Trainor, T.A.

    1981-01-01

    A detailed analysis of the properties of various elements in a two-loop voltage regulator for a tandem accelerator enabled design of an optimum system which reduces effective accelerating voltage noise below 100 V. Essential features of the new system are high-quality slit preamplifiers, careful attention to removal of extraneous noise sources, and proper shaping of frequency responses to maximize stable gains and ensure compatibility of the two control loops. The resultant beam energy stabilizer system is easy to operate, has well defined indicators for proper adjustment of operating parameters, and recovers reliably from beam interruptions

  9. Competition and stability analyses among emissions, energy, and economy: Application for Mexico

    International Nuclear Information System (INIS)

    Pao, Hsiao-Tien; Fu, Hsin-Chia

    2015-01-01

    In view of limited natural resources on Earth, linkage among environment, energy, and economy (3Es) becomes important perspectives for sustainable development. This paper proposes to use Lotka–Volterra model for SUstainable Development (LV-SUD) to analyse the interspecific interactions, equilibria and their stabilities among emissions, different types of energy consumption (renewable, nuclear, and fossil fuel), and real GDP, the main factors of 3Es issues. Modelling these interactions provides a useful multivariate framework for prediction outcomes. Interaction between 3Es, namely competition, symbiosis, or predation, plays an important role in policy development to achieve a balanced use of energy resources and to strengthen the green economy. Applying LV-SUD in Mexico, an emerging markets country, analysing results show that there is a mutualism between fossil fuel consumption and GDP; prey-predator relationships that fossil fuel and GDP enhance the growth of emissions, but emissions inhibit the growth of the others; and commensalisms that GDP benefits from nuclear power, and renewable power benefits from fossil fuel. It is suggested that national energy policies should remain committed to decoupling the relevance between non-clean energy and GDP, to actively developing clean energy and thereby to properly reducing fossil fuel consumption and emissions without harming economic growth. - Highlights: • LV-SUD is used to analyse the competition between environment-energy-economy (3Es). • The competitions between renewable, nuclear, and fossil energy are analysed. • Competition between 3Es plays an important role in policy development. • LV-SUD provides a useful multivariate framework for prediction outcomes. • An application for emerging markets countries such as Mexico is presented

  10. Optimization of the alignment sensitivity and energy stability of the NIF regenerative amplifier cavity

    International Nuclear Information System (INIS)

    Hopps, N. W.

    1998-01-01

    The work to improve the energy stability of the regenerative amplifier ('regen') for the National Ignition Facility is described. This includes a fast feed-forward system, designed to regulate the output energy of the regen by monitoring how quickly a pulse builds up over many round trips. Shot-to-shot energy fluctuations of all elements prior to (and including) the regen may be compensated for in this way, at the expense of a loss of approximately 50%. Also included is a detailed study into the alignment sensitivity of the regen cavity, with the goal of quantifying the effect of misalignment on the output energy. This is done by calculating the displacement of the eigenmode by augmenting the cavity ABCD matrix with the misalignment matrix elements, E, F. In this way, cavity misalignment issues due to thermal loading of the gain medium are investigated. Alternative cavity designs, which reduce the alignment sensitivity and therefore the energy drift over periods of continuous operation, are considered. Alterations to the amplifier head design are also considered

  11. Improving the Stability of Organic Semiconductors: Distortion Energy versus Aromaticity in Substituted Bistetracene

    KAUST Repository

    Thomas, Simil

    2016-11-15

    Polycyclic aromatic hydrocarbons (PAHs) have been widely explored as molecular semiconductors in organic electronic devices such as field-effect transistors or solar cells. However, their tendency to undergo photooxidation is a primary limitation to their practical applications. Bistetracene derivatives have recently been demonstrated to possess much larger photo oxidation stability than the widely investigated pentacene and rubrene, while maintaining high charge-carrier mobilities. Here, using several levels of density functional theory, we identify the origin of the increased stability of bistetracene with respect to molecular oxygen by systematically investigating the [4 + 2] cycloaddition (Diels Alder) photooxidation reaction mechanism. Importantly, our computational results indicate that endoperoxide formation in bis(2-(trimethylsilyl)ethynyl) bistetracene (BT) occurs not on the ring with least aromaticity, but rather on the ring with smallest distortion energy. This feature was subsequently confirmed by experimental NMR analyses. The oxidation activation barriers of bistetracene, pentacene, and rubrene are found to be 17.7, 13.6, and 14.4 kcal/mol, respectively, in agreement with the observed order of stability of these molecules with respect to oxidation reactions in solution. In the cases of BT and pentacene, the rates of electron transfer to create charged species (PAH(+) and O-2) are at least two orders of magnitude lower than that of the charge recombination process (back to PAH and O-2); for rubrene, both of these processes are calculated to be of the same order of magnitude, in agreement with experimental electron paramagnetic resonance spectroscopy observations.

  12. Energy transport requirements for tokamak reactors in the second ballooning stability regime

    International Nuclear Information System (INIS)

    Potok, R.E.; Bromberg, L.; Cohn, D.R.

    1986-01-01

    The authors present an analysis of ignition confinement constraints on a tokamak reactor operating in the second regime of ballooning stability. This regime is characterized by flat plasma pressure profiles, with a sharp pressure gradient near a conducting first wall at the plasma edge. The energy confinement time is determined by transport processes across the pressure gradient region. The authors have found that the required transport needed for ignition in the edge region is very close to the value predicted by neoclassical ion conductivity scaling. Only by carefully tailoring the conductivity scaling across the flux coordinate were the authors able to match both the kink stability and ignition requirements. With optimistic assumptions, R/sub o/ ≅ 7 m appears to be the minimum major radius for an economical tokamak reactor in the second ballooning stability regime. This paper presents a base design case at R/sub o/ = 7 m, and shows how the reactor design varies with changes in major radius, ion transport scaling, and electron transport scaling

  13. Effects of Damping Plate and Taut Line System on Mooring Stability of Small Wave Energy Converter

    Directory of Open Access Journals (Sweden)

    Zhen Liu

    2015-01-01

    Full Text Available Ocean wave energy can be used for electricity supply to ocean data acquisition buoys. A heaving buoy wave energy converter is designed and the damping plate and taut line system are used to provide the mooring stability for better operating conditions. The potential flow assumption is employed for wave generation and fluid structure interactions, which are processed by the commercial software AQWA. Effects of damping plate diameter and taut line linking style with clump and seabed weights on reduction of displacements in 6 degrees of freedom are numerically studied under different operating wave conditions. Tensile forces on taut lines of optimized mooring system are tested to satisfy the national code for wire rope utilization.

  14. International energy R and D spillovers and the economics of greenhouse gas atmospheric stabilization

    International Nuclear Information System (INIS)

    Bosetti, Valentina; Carraro, Carlo; Massetti, Emanuele; Tavoni, Massimo

    2008-01-01

    It is now widely recognized that technological change will play a substantial role in reducing GHG emissions without compromising economic growth; hence, any better understanding of the process of technological innovation is likely to increase our knowledge of mitigation possibilities and costs. This paper explores how international knowledge flows affect the dynamics of the domestic R and D sector and the main economic and environmental variables. The analysis is performed using WITCH, a dynamic regional model of the world economy, in which energy-related technological change is endogenous. The focus is on disembodied energy R and D international spillovers. The knowledge pool from which regions draw foreign ideas differs between High Income and Low Income countries. Absorption capacity is also endogenous in the model. The basic questions are as follows. Do knowledge spillovers enhance energy-related technological innovation in different regions of the world? Does the speed of innovation increase? Or do free-riding incentives prevail and international spillovers crowd out domestic R and D efforts? What is the role of domestic absorption capacity and of policies designed to enhance it? Do greenhouse gas stabilization costs drop in the presence of international technological spillovers? The new specification of the WITCH model presented in this paper enables us to answer these questions. Our analysis shows that international knowledge spillovers tend to increase free-riding incentives and decrease the investments in energy R and D. The strongest cuts in energy R and D investments are recorded among High Income countries, where international knowledge flows crowd out domestic R and D efforts. The overall domestic pool of knowledge, and thus total net GHG stabilization costs, remain largely unaffected. International spillovers, however, are also an important policy channel. We therefore analyze the implication of a policy-mix in which climate policy is combined with a

  15. A Study on stabilization of energy supply and demand using foreign futures market

    Energy Technology Data Exchange (ETDEWEB)

    Yun, Won Chul; Lee, Sung Keun [Korea Energy Economics Institute, Euiwang (Korea)

    1999-02-01

    This study seeks to minimize financial cost related to the price stabilization and the supply and demand stabilization. In order to accomplish this, it derives a theoretical model of supply hedging to minimize fluctuation risk of price and financial cost intended for crude oil and LNG. Through the positive analysis based on this, it analyzes quantitatively the economic effect of utilizing foreign futures market. It shows the decline of average and divergence of supply cost. Despite the economic effect of utilizing a futures market, the degree of utilizing energy futures market of related firms in Korea appeared to be insufficient. To raise the utilization of trading in futures, the followings were suggested. Firstly, cost reduction and sharing relating information can be designed through the joint participation among allied enterprises. Secondly, energy futures transaction center in Korea can be established or trading linkage based on the existing international trading system can be built. Thirdly, it is possible to subsidize related cost by making a loan from trading in futures. Lastly, the participating directly in a futures market at government level can be considered. (author). 61 refs., 57 figs., 22 tabs.

  16. Direct reactions in inverse kinematics for nuclear structure studies far off stability at low incident energies

    International Nuclear Information System (INIS)

    Egelhof, P.

    1997-02-01

    The investigation of light-ion induced direct reactions with exotic beams in inverse kinematics gives access to a wide field of nuclear structure studies in the region far off stability. The present contribution will focus on the investigation of few-nucleon transfer reactions, which turn out to be most favourably studied with good-quality low-energy radioactive beams, as provided by the new generation of radioactive beam facilities presently planned or under construction at Caen, Grenoble, Munich, and elsewhere. An overview on the physics motivation, basically concerning nuclear structure and nuclear astrophysics questions, is given. Of particular interest are the nuclear shell model in the region far off stability, the two-body residual interaction in nuclei, the structure of halo nuclei, as well as the understanding of the r-process scenario. The experimental conditions, along with the experimental concept, for such measurements are discussed with particular emphasis on the kinematical conditions, the observables, as well as the appropriate detection schemes. The concept of a large solid angle TPC ionization chamber as an active target for experiments with low-energy radioactive beams is presented. It turns out to be a highly effective detection scheme, well suited for the present experimental conditions, at least for light exotic beams up to Z∼20. (orig.)

  17. A Control Strategy for Flywheel Energy Storage System for Frequency Stability Improvement in Islanded Microgrid

    Directory of Open Access Journals (Sweden)

    A. A. Khodadoost Arani

    2017-03-01

    Full Text Available The Micro-Grid (MG stability is a significant issue that must be maintained in all operational modes. Usually, two control strategies can be applied to MG; V/f control and PQ control strategies. MGs with V/f control strategy should have some Distributed Generators (DGs which have fast responses versus load changes. The Flywheel Energy Storage System (FESS has this characteristic. The FESS, which converts the mechanical energy to electrical form, can generate electrical power or absorb the additional power in power systems or MGs. In this paper, the FESS structure modeled in detail and two control strategies (V/f and PQ control are applied for this application. In addition, in order to improve the MG frequency and voltage stability, two complementary controllers are proposed for the V/f control strategy; conventional PI and Fuzzy Controllers. A typical low voltage network, including FESS is simulated for four distinct scenarios in the MATLAB/ Simulink environment. It is shown that fuzzy controller has better performance than conventional PI controller in islanded microgrid.

  18. Assessment of environmental stability of agroserous soil according to indicator of energy potential of organic substances

    Science.gov (United States)

    Murtazina, S. G.; Gaffarova, L. G.; Murtazin, MG

    2018-01-01

    Studies of the group and fractional composition of humus have determineded that the long-term use of soil (for 20 years) without the use of fertilizers (control) leads to a decrease in the content of humic acids and fulvic acids relative to the initial soil, which indicates an increase in mineralization of the soil humus. Under the influence of a long application of high doses of mineral fertilizers, the content of mobile fractions of humic and fulvic acids in the field rotation increases in the humus content. In systems of agriculture that are not balanced by organic matter, which are predominant in most farms of the Republic of Tatarstan, the use of very high doses of potassium fertilizers is not justified energetically. To compensate for losses of humus and its energy potential in calculating organic fertilizers on backgrounds with high doses of mineral fertilizers, the humification coefficients of organic residues should be increased by 30-40% during the rotational period of 5-6 years, which will reduce the loss of energy reserves and thereby improve the ecological stability of soils and the stability of agricultural landscapes

  19. Improved Model for Predicting the Free Energy Contribution of Dinucleotide Bulges to RNA Duplex Stability.

    Science.gov (United States)

    Tomcho, Jeremy C; Tillman, Magdalena R; Znosko, Brent M

    2015-09-01

    Predicting the secondary structure of RNA is an intermediate in predicting RNA three-dimensional structure. Commonly, determining RNA secondary structure from sequence uses free energy minimization and nearest neighbor parameters. Current algorithms utilize a sequence-independent model to predict free energy contributions of dinucleotide bulges. To determine if a sequence-dependent model would be more accurate, short RNA duplexes containing dinucleotide bulges with different sequences and nearest neighbor combinations were optically melted to derive thermodynamic parameters. These data suggested energy contributions of dinucleotide bulges were sequence-dependent, and a sequence-dependent model was derived. This model assigns free energy penalties based on the identity of nucleotides in the bulge (3.06 kcal/mol for two purines, 2.93 kcal/mol for two pyrimidines, 2.71 kcal/mol for 5'-purine-pyrimidine-3', and 2.41 kcal/mol for 5'-pyrimidine-purine-3'). The predictive model also includes a 0.45 kcal/mol penalty for an A-U pair adjacent to the bulge and a -0.28 kcal/mol bonus for a G-U pair adjacent to the bulge. The new sequence-dependent model results in predicted values within, on average, 0.17 kcal/mol of experimental values, a significant improvement over the sequence-independent model. This model and new experimental values can be incorporated into algorithms that predict RNA stability and secondary structure from sequence.

  20. Assessment of Stability and Energy Dissipation Performances of an Antifer Layer Protected Caisson

    Directory of Open Access Journals (Sweden)

    M. Sedat Kabdaşlı

    2015-08-01

    Full Text Available The present study intends to assess the stability and energy dissipation performances of a breakwater configuration (APC protected by an antifer layer. For comparison, an ordinary caisson (OC, which was 5% wider and 10% heavier, was also investigated. Physical models were implemented and tested under regular and irregular waves; and resulting linear and angular displacements were directly measured via a photogrammetric method. Additionally, wave forces and resulting horizontal displacements were estimated both from recorded pressure data and from individual incident waves by modified Goda method. To calculate the horizontal displacement, the estimated wave force time series were directly double-integrated, whilst the theoretical method proposed by Shimosako et al. (1994 were used on the individual force values. Although OC was tested under shorter durations and had a more favorable superstructure in terms of resisting forces, the results indicated that APC was significantly more stable. Energy dissipation performance of the tested configurations were quantified in terms of spectral averaged and phase resolved reflection coefficients, whereas antifer damage ratio was measured on a block-count basis. Results indicated that the APC configuration had an enhanced performance of dissipating the wave energy; moreover, the dissipated energy directly links to antifer damage ratio.

  1. Effects of H-implantation energy on the optical stability of implanted usher films under photo-irradiation

    International Nuclear Information System (INIS)

    Awazu, K.; Yasui, H.; Kasamori, M.; Ichikawa, T.; Funada, Y.; Iwaki, M.

    1999-01-01

    A study has been made on the improvement of the optical stability of urushi films under optical irradiation using ion implantation. Ion implantation of hydrogen ions in urushi films was performed with a dose of 10 15 ions/cm 2 at ion energies ranging from 0.2 to 150 keV at room temperature. The photo-irradiation onto the urushi films was carried out at irradiation energies ranging from 40 to 400 MJ/m 2 . H-implantation onto urushi films is useful for improving the optical stability under photo-irradiation when the implantation energy is larger than 60 keV

  2. How Do Dietary Choices Influence the Energy-System Cost of Stabilizing the Climate?

    Directory of Open Access Journals (Sweden)

    David Bryngelsson

    2017-02-01

    Full Text Available We investigate how different global dietary scenarios affect the constraints on, and costs of, transforming the energy system to reach a global temperature stabilization limit of 2 °C above the pre-industrial level. A global food and agriculture model, World Food Supply Model (WOFSUM, is used to create three dietary scenarios and to calculate the CH4 and N2O emissions resulting from their respective food-supply chains. The diets are: (i a reference diet based on current trends; (ii a diet with high (reference-level meat consumption, but without ruminant products (i.e., no beef, lamb, or dairy, only pork and poultry; and (iii a vegan diet. The estimated CH4 and N2O emissions from food production are fed into a coupled energy and climate-system optimization model to quantify the energy system implications of the different dietary scenarios, given a 2 °C target. The results indicate that a phase-out of ruminant products substantially increases the emission space for CO2 by about 250 GtC which reduces the necessary pace of the energy system transition and cuts the net present value energy-system mitigation costs by 25%, for staying below 2 °C. Importantly, the additional cost savings with a vegan diet––beyond those achieved with a phase-out of ruminant products––are marginal (only one additional percentage point. This means that a general reduction of meat consumption is a far less effective strategy for meeting the 2 °C target than a reduction of beef and dairy consumption.

  3. From rice husk to high performance shape stabilized phase change materials for thermal energy storage

    DEFF Research Database (Denmark)

    Mehrali, Mohammad; Latibari, Sara Tahan; Rosen, Marc A.

    2016-01-01

    A novel shape-stabilized phase change material (SSPCM) was fabricated by using a vacuum impregnation technique. The lightweight, ultra-high specific surface area and porous activated carbon was prepared from waste material (rice husk) through the combination of an activation temperature approach...... and a sodium hydroxide activation procedure. Palmitic acid as a phase change material was impregnated into the porous carbon by a vacuum impregnation technique. Graphene nanoplatelets (GNPs) were employed as an additive for thermal conductivity enhancement of the SSPCMs. The attained composites exhibited...... exceptional phase change behavior, having a desirable latent heat storage capacity of 175 kJ kg(-1). When exposed to high solar radiation intensities, the composites can absorb and store the thermal energy. An FTIR analysis of the SSPCMs indicated that there was no chemical interaction between the palmitic...

  4. Stability Analysis of a Model of Atherogenesis: An Energy Estimate Approach

    Directory of Open Access Journals (Sweden)

    A. I. Ibragimov

    2008-01-01

    Full Text Available Atherosclerosis is a disease of the vasculature that is characterized by chronic inflammation and the accumulation of lipids and apoptotic cells in the walls of large arteries. This disease results in plaque growth in an infected artery typically leading to occlusion of the artery. Atherosclerosis is the leading cause of human mortality in the US, much of Europe, and parts of Asia. In a previous work, we introduced a mathematical model of the biochemical aspects of the disease, in particular the inflammatory response of macrophages in the presence of chemoattractants and modified low density lipoproteins. Herein, we consider the onset of a lesion as resulting from an instability in an equilibrium configuration of cells and chemical species. We derive an appropriate norm by taking an energy estimate approach and present stability criteria. A bio-physical analysis of the mathematical results is presented.

  5. The formation of α-phase SnS nanorods by PVP assisted polyol synthesis: Phase stability, micro structure, thermal stability and defects induced energy band transitions

    Energy Technology Data Exchange (ETDEWEB)

    Baby, Benjamin Hudson; Mohan, D. Bharathi, E-mail: d.bharathimohan@gmail.com

    2017-05-01

    We report the formation of single phase of SnS nanostructure through PVP assisted polyol synthesis by varying the source concentration ratio (Sn:S) from 1:1M to 1:12M. The effect of PVP concentration and reaction medium towards the preparation of SnS nanostructure is systematically studied through confocal Raman spectrometer, X-ray diffraction, thermogravimetry analysis, scanning electron microscope, transmission electron microscopy, X-ray photoelectron spectroscopy, UV–Vis–NIR absorption and fluorescence spectrophotometers. The surface morphology of SnS nanostructure changes from nanorods to spherical shape with increasing PVP concentration from 0.15M to 0.5M. Raman analysis corroborates that Raman active modes of different phases of Sn-S are highly active when Raman excitation energy is slightly greater than the energy band gap of the material. The presence of intrinsic defects and large number of grain boundaries resulted in an improved thermal stability of 20 °C during the phase transition of α-SnS. Band gap calculation from tauc plot showed the direct band gap of 1.5 eV which is attributed to the single phase of SnS, could directly meet the requirement of an absorber layer in thin film solar cells. Finally, we proposed an energy band diagram for as synthesized single phase SnS nanostructure based on the experimental results obtained from optical studies showing the energy transitions attributed to band edge transition and also due to the presence of intrinsic defects. - Highlights: • PVP stabilizes the orthorhombic (α) phase of SnS. • Optical band gap of P type SnS tuned by PVP for photovoltaic applications. • The formation of Sn rich SnS phase is investigated through XPS analysis. • Intrinsic defects enhance the thermal stability of α-SnS. • The feasibility of energy transition liable to point defects is discussed.

  6. Atomic-scale understanding of non-stoichiometry effects on the electrochemical performance of Ni-rich cathode materials

    Science.gov (United States)

    Kong, Fantai; Liang, Chaoping; Longo, Roberto C.; Zheng, Yongping; Cho, Kyeongjae

    2018-02-01

    As the next-generation high energy capacity cathode materials for Li-ion batteries, Ni-rich oxides face the problem of obtaining near-stoichiometric phases due to excessive Ni occupying Li sites. These extra-Ni-defects drastically affect the electrochemical performance. Despite of its importance, the fundamental correlation between such defects and the key electrochemical properties is still poorly understood. In this work, using density-functional-theory, we report a comprehensive study on the effects of non-stoichiometric phases on properties of Ni-rich layered oxides. For instance, extra-Ni-defects trigger charge disproportionation reaction within the system, alleviating the Jahn-Teller distortion of Ni3+ ions, which constitutes an important reason for their low formation energies. Kinetic studies of these defects reveal their immobile nature, creating a "pillar effect" that increases the structural stability. Ab initio molecular dynamics revealed Li depletion regions surrounding extra-Ni-defects, which are ultimate responsible for the arduous Li diffusion and re-intercalation, resulting in poor rate performance and initial capacity loss. Finally, the method with combination of high valence cation doping and ion-exchange synthesis is regarded as the most promising way to obtain stoichiometric oxides. Overall, this work not only deepens our understanding of non-stoichiometric Ni-rich layered oxides, but also enables further optimizations of high energy density cathode materials.

  7. Application of the stabilization method to the molecular states of LiHe3+: Energies and radial couplings

    International Nuclear Information System (INIS)

    Macias, A.; Mendizabal, R.; Pelayo, F.; Riera, A.; Yaez, M.

    1986-01-01

    We have used the stabilization method to perform calculations on autoionizing states of the LiHe 3+ system which are involved in Li 3+ +He collisions. The molecular energies and radial couplings are calculated with use of programs developed at our laboratory. For both short and large internuclear distances, the stabilization treatment is complemented by block-diagonalization techniques. Our calculations allow us to draw conclusions on the conditions under which these methods can be used to calculate energy positions and radial couplings for states that lie in an ionization continuum

  8. Application of the stabilization method to the molecular states of LiHeT : Energies and radial couplings

    Energy Technology Data Exchange (ETDEWEB)

    Macias, A.; Mendizabal, R.; Pelayo, F.; Riera, A.; Yaez, M.

    1986-01-01

    We have used the stabilization method to perform calculations on autoionizing states of the LiHeT system which are involved in LiT +He collisions. The molecular energies and radial couplings are calculated with use of programs developed at our laboratory. For both short and large internuclear distances, the stabilization treatment is complemented by block-diagonalization techniques. Our calculations allow us to draw conclusions on the conditions under which these methods can be used to calculate energy positions and radial couplings for states that lie in an ionization continuum.

  9. Influence of the manganese and cobalt content on the electrochemical performance of P2-Na0.67MnxCo1-xO2 cathodes for sodium-ion batteries.

    Science.gov (United States)

    Hemalatha, K; Jayakumar, M; Prakash, A S

    2018-01-23

    The resurgence of sodium-ion batteries in recent years is due to their potential ability to form intercalation compounds possessing a high specific capacity and energy density comparable to existing lithium systems. To comprehend the role of cobalt substitution in the structure and electrochemical performance of Na 0.67 MnO 2 , the solid solutions of P2-Na 0.67 Mn x Co 1-x O 2 (x = 0.25, 0.5, 0.75) are synthesized and characterized. The XRD-Rietveld analysis revealed that the Co-substitution in Na 0.67 MnO 2 decreases lattice parameters 'a' and 'c' resulting in the contraction of MO 6 octahedra and the enlargement of inter-layer 'd' spacing. XPS indicates that the isovalent cobalt substitution in Na 0.67 MnO 2 results in the partial/complete replacement of Jahn-Teller active trivalent manganese to form low-spin complexes of better structural stability. The Na-ion diffusion coefficient, D Na + , derived from cyclic voltammetry and impedance spectroscopy, confirmed the enhanced mass transport in Co-rich phases compared to Mn-rich phases. Furthermore, higher diffusion coefficient values are observed for Co 3+ /Co 4+ than for their Mn 3+ /Mn 4+ redox processes. In addition, Co-rich phases exhibit a high structural stability and superior capacity retention, whereas Mn-rich phases discharge higher capacities.

  10. The costs of different energy taxes for stabilizing U.S. carbon dioxide emissions: An application of the Gemini model

    International Nuclear Information System (INIS)

    Leary, N.A.; Scheraga, J.D.

    1993-01-01

    In the absence of policies to mitigate emissions of carbon dioxide, US emissions will grow substantially over the period 1990 to 2030. One option for mitigation of carbon dioxide emissions is to tax energy use. For example, fossil energy might be taxed according to its carbon content, heating value, or market value. Using a partial equilibrium model of US energy markets that combines detailed representation of technological processes with optimizing behavior by energy users and suppliers, the authors compare the costs of using carbon, Btu, and ad valorem taxes as instruments to implement a policy of emission stabilization. The authors also examine the differential impacts of these taxes on the mix of primary energy consumed in the US. The carbon tax induces the substitution of renewables and natural gas for coal and stabilizes carbon dioxide emissions at an estimated annual cost of $125 billion. The Btu tax induces the substitution of renewables for coal, but does not encourage the use of natural gas. The estimated cost of stabilization with the Btu tax is $210 billion per year. The ad valorem tax, like the Btu tax, does not encourage the substitution of natural gas for coal. It also causes a significant shift away from oil in comparison to the carbon tax. The cost of stabilizing emissions with the ad valorem tax is estimated at $450 billion per year

  11. Thermodynamic Stability of Ice II and Its Hydrogen-Disordered Counterpart: Role of Zero-Point Energy.

    Science.gov (United States)

    Nakamura, Tatsuya; Matsumoto, Masakazu; Yagasaki, Takuma; Tanaka, Hideki

    2016-03-03

    We investigate why no hydrogen-disordered form of ice II has been found in nature despite the fact that most of hydrogen-ordered ices have hydrogen-disordered counterparts. The thermodynamic stability of a set of hydrogen-ordered ice II variants relative to ice II is evaluated theoretically. It is found that ice II is more stable than the disordered variants so generated as to satisfy the simple ice rule due to the lower zero-point energy as well as the pair interaction energy. The residual entropy of the disordered ice II phase gradually compensates the unfavorable free energy with increasing temperature. The crossover, however, occurs at a high temperature well above the melting point of ice III. Consequently, the hydrogen-disordered phase does not exist in nature. The thermodynamic stability of partially hydrogen-disordered ices is also scrutinized by examining the free-energy components of several variants obtained by systematic inversion of OH directions in ice II. The potential energy of one variant is lower than that of the ice II structure, but its Gibbs free energy is slightly higher than that of ice II due to the zero-point energy. The slight difference in the thermodynamic stability leaves the possibility of the partial hydrogen-disorder in real ice II.

  12. Mitigating Voltage Decay of Li-Rich Cathode Material via Increasing Ni Content for Lithium-Ion Batteries.

    Science.gov (United States)

    Shi, Ji-Lei; Zhang, Jie-Nan; He, Min; Zhang, Xu-Dong; Yin, Ya-Xia; Li, Hong; Guo, Yu-Guo; Gu, Lin; Wan, Li-Jun

    2016-08-10

    Li-rich layered materials have been considered as the most promising cathode materials for future high-energy-density lithium-ion batteries. However, they suffer from severe voltage decay upon cycling, which hinders their further commercialization. Here, we report a Li-rich layered material 0.5Li2MnO3·0.5LiNi0.8Co0.1Mn0.1O2 with high nickel content, which exhibits much slower voltage decay during long-term cycling compared to conventional Li-rich materials. The voltage decay after 200 cycles is 201 mV. Combining in situ X-ray diffraction (XRD), ex situ XRD, ex situ X-ray photoelectron spectroscopy, and scanning transmission electron microscopy, we demonstrate that nickel ions act as stabilizing ions to inhibit the Jahn-Teller effect of active Mn(3+) ions, improving d-p hybridization and supporting the layered structure as a pillar. In addition, nickel ions can migrate between the transition-metal layer and the interlayer, thus avoiding the formation of spinel-like structures and consequently mitigating the voltage decay. Our results provide a simple and effective avenue for developing Li-rich layered materials with mitigated voltage decay and a long lifespan, thereby promoting their further application in lithium-ion batteries with high energy density.

  13. Unifying perspective: Solitary traveling waves as discrete breathers in Hamiltonian lattices and energy criteria for their stability

    Science.gov (United States)

    Cuevas-Maraver, Jesús; Kevrekidis, Panayotis G.; Vainchtein, Anna; Xu, Haitao

    2017-09-01

    In this work, we provide two complementary perspectives for the (spectral) stability of solitary traveling waves in Hamiltonian nonlinear dynamical lattices, of which the Fermi-Pasta-Ulam and the Toda lattice are prototypical examples. One is as an eigenvalue problem for a stationary solution in a cotraveling frame, while the other is as a periodic orbit modulo shifts. We connect the eigenvalues of the former with the Floquet multipliers of the latter and using this formulation derive an energy-based spectral stability criterion. It states that a sufficient (but not necessary) condition for a change in the wave stability occurs when the functional dependence of the energy (Hamiltonian) H of the model on the wave velocity c changes its monotonicity. Moreover, near the critical velocity where the change of stability occurs, we provide an explicit leading-order computation of the unstable eigenvalues, based on the second derivative of the Hamiltonian H''(c0) evaluated at the critical velocity c0. We corroborate this conclusion with a series of analytically and numerically tractable examples and discuss its parallels with a recent energy-based criterion for the stability of discrete breathers.

  14. Method for stabilizing beam intensity and energy in the SPring-8 linac

    International Nuclear Information System (INIS)

    Asaka, T.; Kawashima, Y.; Takashima, T.; Kobayashi, T.; Ohshima, T.; Hanaki, H.

    2004-01-01

    In any electron accelerator facilities, radio frequencies (RF) for a linear accelerator and a circular accelerator that includes a booster synchrotron ring and a storage ring are completely different. There is not necessarily a sub-harmonic relation of two RFs between a linear accelerator and a circular accelerator. It is, however, indispensable to obtain a synchronous relation between both RFs and the timing of the gun trigger signal with the increasing beam current and shortening of beam time width from an electron gun in a linear accelerator. For a synchronous timing system in any electron accelerator facilities, there is no choice but to assemble a complicated system with the frequency dividers and multipliers in order to realize the synchronous relation between both RFs and the gun trigger signal. To simplify the complicated synchronous timing system, we have developed a new synchronization method for the RFs of both linear and circular accelerators. The new synchronization system has been installed into the synchrotron radiation facility, SPring-8 (Super Photon ring 8 GeV), which consists of a 1-GeV linac, an 8-GeV booster synchrotron and an 8-GeV storage ring. A 2856 MHz RF for the 1-GeV linac was generated by the 508.58 MHz RF of the 8-GeV storage ring with the new synchronous timing system, and the emission and acceleration under the condition of the shortening the beam time width in the linac was carried out. Since the synchronous relation between both the RFs and the gun trigger signal was realized by using the new synchronous timing system, the time jitter between the gun trigger signal and the RF phase of 2856 MHz was significantly reduced and resulted in beam energy stabilization. The new synchronous timing system has been used for usual beam operations at SPring-8. This timing system has achieved time jitters of 3.5 ps (rms) and beam energy stability of 0.009% (rms) under the condition of completely synchronized two RFs and the gun trigger signal

  15. Energy Stability Analysis of Some Fully Discrete Numerical Schemes for Incompressible Navier–Stokes Equations on Staggered Grids

    KAUST Repository

    Chen, Huangxin

    2017-09-01

    In this paper we consider the energy stability estimates for some fully discrete schemes which both consider time and spatial discretizations for the incompressible Navier–Stokes equations. We focus on three kinds of fully discrete schemes, i.e., the linear implicit scheme for time discretization with the finite difference method (FDM) on staggered grids for spatial discretization, pressure-correction schemes for time discretization with the FDM on staggered grids for the solutions of the decoupled velocity and pressure equations, and pressure-stabilization schemes for time discretization with the FDM on staggered grids for the solutions of the decoupled velocity and pressure equations. The energy stability estimates are obtained for the above each fully discrete scheme. The upwind scheme is used in the discretization of the convection term which plays an important role in the design of unconditionally stable discrete schemes. Numerical results are given to verify the theoretical analysis.

  16. Energy storage systems impact on the short-term frequency stability of distributed autonomous microgrids, an analysis using aggregate models

    DEFF Research Database (Denmark)

    Serban, Ioan; Teodorescu, Remus; Marinescu, Corneliu

    2013-01-01

    This study analyses the integration impact of battery energy storage systems (BESSs) on the short-term frequency control in autonomous microgrids (MGs). Short-term frequency stability relates with the primary or speed control level, as defined in the regulations of the classical grids. The focus...

  17. Wholesale energy market in a smart grid. Dynamic modeling, stability, and robustness

    Energy Technology Data Exchange (ETDEWEB)

    Kiani Bejestani, Arman

    2013-01-24

    The recent paradigm shift in the architecture of the smart grid is driven by the need to integrate Renewable Energy Resources (RER), the availability of information through communication networks, and an emerging policy of demand that is intertwined with pricing. A major component of this architecture is the design of electricity markets, which pertains to the optimal scheduling of power generation and reserve requirements. The challenge is to carry out this scheduling with a high level of integration of renewable generation sources, a formidable task due to intermittency and uncertainty. Introducing huge intermittency and uncertainty in the smart grid will demand a dynamic framework for addressing the operation, scheduling and financial settlements in the uncertain environment. The temporal components in scheduling generation are necessary due to increasing penetration of renewable sources, and increasing potential of adjustable demand via Demand Response (DR). The former brings issues of strong intermittency and uncertainty, and the latter brings a feedback structure, where demand can be modulated over a range of time-scales. Both of these components are dictating a new look at market mechanisms, with a controls viewpoint enabling a novel framework for analysis and synthesis. This dissertation provides static and dynamic models that capture the various aspects of electrical power systems, including the dynamics of market participants, the physical and technical constraints of power systems, and the uncertainty of RER. The proposed models shed new light on wholesale electricity market design, allowing an understanding to be gained of how to create markets, which enhance the stability of price profiles, and efficiency of the power systems, in the presence of uncertain demand and intermittent resources. The notion of market equilibrium in the presence of RER and DR is presented. The effects of uncertainties due to forecast errors in RER and variations due to DR on

  18. Membrane Protein Stability Analyses by Means of Protein Energy Profiles in Case of Nephrogenic Diabetes Insipidus

    Directory of Open Access Journals (Sweden)

    Florian Heinke

    2012-01-01

    Full Text Available Diabetes insipidus (DI is a rare endocrine, inheritable disorder with low incidences in an estimated one per 25,000–30,000 live births. This disease is characterized by polyuria and compensatory polydypsia. The diverse underlying causes of DI can be central defects, in which no functional arginine vasopressin (AVP is released from the pituitary or can be a result of defects in the kidney (nephrogenic DI, NDI. NDI is a disorder in which patients are unable to concentrate their urine despite the presence of AVP. This antidiuretic hormone regulates the process of water reabsorption from the prourine that is formed in the kidney. It binds to its type-2 receptor (V2R in the kidney induces a cAMP-driven cascade, which leads to the insertion of aquaporin-2 water channels into the apical membrane. Mutations in the genes of V2R and aquaporin-2 often lead to NDI. We investigated a structure model of V2R in its bound and unbound state regarding protein stability using a novel protein energy profile approach. Furthermore, these techniques were applied to the wild-type and selected mutations of aquaporin-2. We show that our results correspond well to experimental water ux analysis, which confirms the applicability of our theoretical approach to equivalent problems.

  19. Total β-decay energies and atomic masses in regions far from β-stability

    International Nuclear Information System (INIS)

    Aleklett, K.

    1977-01-01

    This thesis is a summary of experimental investigations on total β-decay energies and deduced atomic masses of nuclei far from the region of β-stability. The Qsub(β) values are given for isotopes of Zn, Ga, Ge, As, Br, Rb, In, Sn, Sb, Te, Cs, Fr, Ra and Ac, with β-unstable nuclei. These unstable nuclei have very short half-lives, often below 10s, and the experimental techniques for the production, separation and collection of these short-lived nuclei are described. Neutron deficient nuclides were produced by spallation, in the ISOLDE facility, and neutron deficient nuclides were produced by thermal neutron induced fission of 235 U in the OSIRIS facility. β-spectra were recorded using an Si(Li)-detector and a coincidence system. Qsub(β) values obtained from mass formulae have been compared with experimental values obtained in different mass regions and a comparison made between results obtained from different droplet mass formulae. (B.D.)

  20. Directed surfaces structures and interfaces for enhanced electrocatalyst activity, selectivity, and stability for energy conversion reactions

    Energy Technology Data Exchange (ETDEWEB)

    Jaramillo, Thomas F. [Stanford Univ., CA (United States). Dept. of Chemical Engineering. Shriram Center

    2016-04-20

    IrO3/IrOx catalyst significantly outperforms rutile IrO2 and RuO2, the only other OER catalysts to have reasonable stability and activity in acidic electrolyte, and in fact demonstrates the best activity for any known OER catalyst measured in either acidic or in alkaline electrolyte. For alkaline conditions we have demonstrated that the combined effect of cerium as a dopant and gold as a metal support, significantly enhances the OER activity of electrodeposited NiOx films. This NiCeOx-Au catalyst delivers high OER activity in alkaline media, and is among the most active OER electrocatalysts reported to date (Nature Energy, accepted 2016). These studies of new catalysts for the OER, both in acid and in base, are fundamental to enabling new technologies of interest for the DOE, including the production of sustainable fuels and chemicals. ORR: One method to significantly reduce the Pt loading in fuel cell devices is to increase the ORR activity of Pt based systems. To this end we have synthesized a high surface area supported meso-structured PtxNi alloy thin film with a double gyroid morphology that both exhibits high activity and stability for the ORR (submitted, 2016). We have furthermore developed a Ru-core, Pt-shell system that improves the per Pt site activity by more than a factor of 2 (ChemElectroChem, 2014). Further refinement, optimizing Pt-shell thickness and reducing particle sintering during processing, enabled us to obtain a mass activity that is 2 times higher than commercial Pt/C from TKK. These are important contributions to the DOE goal of reducing Pt loading since an improved understanding of how to increase mass activity and stability helps enable low Pt content fuel cells.

  1. Ab initio correlated study of the Al13H- anion: Isomers, their kinetic stability and vertical detachment energies

    Science.gov (United States)

    Moc, Jerzy

    2012-01-01

    We report correlated ab initio calculations for the Al13H- cluster anion isomers, their kinetic stability and vertical detachment energies (VDEs). Of the two most energetically favored anion structures involving H atom in terminal and threefold bridged sites of the icosahedral Al13-, the higher energy ‘threefold bridged' isomer is shown to be of low kinetic stability. Our results are consistent with the recent photoelectron spectroscopy (PE) study of Grubisic et al. who observed two distinct Al13H- isomers, one of them identified as ‘metastable'. The VDE energies computed at the CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pVDZ level for the ‘terminal' and ‘threefold bridged' Al13H- isomers of 3.21 and 2.32 eV are in good agreement with those determined in the PE study.

  2. US Department of Energy Plutonium Stabilization and Immobilization Workshop, December 12-14, 1995: Final proceedings

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-05-01

    The purpose of the workshop was to foster communication within the technical community on issues surrounding stabilization and immobilization of the Department`s surplus plutonium and plutonium- contaminated wastes. The workshop`s objectives were to: build a common understanding of the performance, economics and maturity of stabilization and immobilization technologies; provide a system perspective on stabilization and immobilization technology options; and address the technical issues associated with technologies for stabilization and immobilization of surplus plutonium and plutonium- contaminated waste. The papers presented during this workshop have been indexed separately.

  3. Preparation of shape-stabilized co-crystallized poly (ethylene glycol) composites as thermal energy storage materials

    International Nuclear Information System (INIS)

    Qian, Yong; Wei, Ping; Jiang, Pingkai; Li, Zhi; Yan, Yonggang; Ji, Kejian; Deng, Weihua

    2013-01-01

    Highlights: • Shape-stabilized PEG composites were prepared by sol–gel process. • The increased energy storage ability of composite was from cocrystallization effect. • Diammonium phosphate improved flame retardancy properties of PEG composite. • PEG composites had potential to be used as thermal energy storage materials. - Abstract: Shape-stabilized co-crystallized poly (ethylene glycol) (PEG) composites were prepared by sol–gel process. Tetraethoxysilane was utilized as supporting matrix precursor. The crystallization property as well as thermal energy storage properties of PEG was influenced by silica network. The combination of PEG 2k and PEG 10k with suitable ratio (3:1 by weight) led to synergistically increased fusion enthalpy attributed to cocrystallization effect. Furthermore, halogen-free flame retarded PEG composites were obtained using diammonium phosphate as flame retardant. With suitable composition, the latent heat value of flame retarded PEG composite was 96.7 kJ/kg accompanied with good thermal stability and improved flame retardancy properties. Fourier transform infrared spectrum (FT-IR), X-ray diffraction (XRD), polarized optical microscope (POM) and scanning electron microscope (SEM) were used to characterize the structure of PEG composites. Thermal stability properties of PEG composites were investigated by thermogravimetric analyzer (TGA). Char residue obtained from muffle furnace of PEG composites was analyzed by SEM and FT-IR. Flame retardancy properties of PEG composites were estimated by pyrolysis combustion flow calorimeter. Results showed that it was potential for shape-stabilized halogen-free flame retarded PEG composite to be applied in thermal energy storage field

  4. A rapid, ensemble and free energy based method for engineering protein stabilities.

    Science.gov (United States)

    Naganathan, Athi N

    2013-05-02

    Engineering the conformational stabilities of proteins through mutations has immense potential in biotechnological applications. It is, however, an inherently challenging problem given the weak noncovalent nature of the stabilizing interactions. In this regard, we present here a robust and fast strategy to engineer protein stabilities through mutations involving charged residues using a structure-based statistical mechanical model that accounts for the ensemble nature of folding. We validate the method by predicting the absolute changes in stability for 138 experimental mutations from 16 different proteins and enzymes with a correlation of 0.65 and importantly with a success rate of 81%. Multiple point mutants are predicted with a higher success rate (90%) that is validated further by comparing meosphile-thermophile protein pairs. In parallel, we devise a methodology to rapidly engineer mutations in silico which we benchmark against experimental mutations of ubiquitin (correlation of 0.95) and check for its feasibility on a larger therapeutic protein DNase I. We expect the method to be of importance as a first and rapid step to screen for protein mutants with specific stability in the biotechnology industry, in the construction of stability maps at the residue level (i.e., hot spots), and as a robust tool to probe for mutations that enhance the stability of protein-based drugs.

  5. Virtual Inertia Control-Based Model Predictive Control for Microgrid Frequency Stabilization Considering High Renewable Energy Integration

    Directory of Open Access Journals (Sweden)

    Thongchart Kerdphol

    2017-05-01

    Full Text Available Renewable energy sources (RESs, such as wind and solar generations, equip inverters to connect to the microgrids. These inverters do not have any rotating mass, thus lowering the overall system inertia. This low system inertia issue could affect the microgrid stability and resiliency in the situation of uncertainties. Today’s microgrids will become unstable if the capacity of RESs become larger and larger, leading to the weakening of microgrid stability and resilience. This paper addresses a new concept of a microgrid control incorporating a virtual inertia system based on the model predictive control (MPC to emulate virtual inertia into the microgrid control loop, thus stabilizing microgrid frequency during high penetration of RESs. The additional controller of virtual inertia is applied to the microgrid, employing MPC with virtual inertia response. System modeling and simulations are carried out using MATLAB/Simulink® software. The simulation results confirm the superior robustness and frequency stabilization effect of the proposed MPC-based virtual inertia control in comparison to the fuzzy logic system and conventional virtual inertia control in a system with high integration of RESs. The proposed MPC-based virtual inertia control is able to improve the robustness and frequency stabilization of the microgrid effectively.

  6. Improving the Stability of Organic Semiconductors: Distortion Energy versus Aromaticity in Substituted Bistetracene

    KAUST Repository

    Thomas, Simil; Ly, Jack; Zhang, Lei; Briseno, Alejandro L.; Bredas, Jean-Luc

    2016-01-01

    to their practical applications. Bistetracene derivatives have recently been demonstrated to possess much larger photo oxidation stability than the widely investigated pentacene and rubrene, while maintaining high charge-carrier mobilities. Here, using several levels

  7. Thermal Stability Test of Sugar Alcohols as Phase Change Materials for Medium Temperature Energy Storage Application

    OpenAIRE

    Solé, Aran; Neumann, Hannah; Niedermaier, Sophia; Cabeza, Luisa F.; Palomo, Elena

    2014-01-01

    Sugar alcohols are potential phase change materials candidates as they present high phase change enthalpy values, are non-toxic and low cost products. Three promising sugar-alcohols were selected: D-mannitol, myo-inositol and dulcitol under high melting enthalpy and temperature criterion. Thermal cycling tests were performed to study its cycling stability which can be determining when selecting the suitable phase change material. D-mannitol and dulcitol present poor thermal stability...

  8. Correlation between the thermodynamic stability of DNA duplexes and the interaction and solvation energies of DNA building blocks

    Czech Academy of Sciences Publication Activity Database

    Řezáč, Jan; Hobza, Pavel

    2008-01-01

    Roč. 73, č. 2 (2008), s. 161-174 ISSN 0010-0765 R&D Projects: GA MŠk LC512; GA ČR GA203/05/0009; GA ČR(CZ) GD203/05/H001 Institutional research plan: CEZ:AV0Z40550506 Keywords : DNA duplex * interaction energy * stability Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.784, year: 2008

  9. On zero-point energy, stability and Hagedorn behavior of Type IIB strings on pp-waves

    International Nuclear Information System (INIS)

    Bigazzi, F.; Cotrone, A.L.

    2003-06-01

    Type IIB strings on many pp-wave backgrounds, supported either by 5-form or 3-form fluxes, have negative light-cone zero-point energy. This raises the question of their stability and poses possible problems in the definition of their thermodynamic properties. After having pointed out the correct way of calculating the zero-point energy, an issue not fully discussed in literature, we show that these Type IIB strings are classically stable and have well defined thermal properties, exhibiting a Hagedorn behavior. (author)

  10. Principles for construction of control and stabilization systems for pulse energy sources on the base of compression generators

    International Nuclear Information System (INIS)

    Abdukaev, I.Kh.; Kuchinskij, V.G.; Titov, V.I.

    1984-01-01

    Principles of construction of control and stabilization systems for a compression-generator (CG)-sources of power energy pulses- are considered. CG is an electromechanical energy converter, the principle of its operation is based on magnetic flux compression with periodic change of mutual inductance of two rotating windings. In each period, with the decrease of intrinsic inductance the generator forms in the load the pulse leading edge, and in the phase rise a pulse decay. To obtain the same pulse in the following period it is neccessary that the magnetic flux initial value should be restored in the generator winding. Problems of attaining pule shaper amplitude stability are considered. The method of pulse amplitude control in the load at the expense of the change in switch moment of capacitive storage to CG windings is suggested. The block-diagram of stabilization system is presented and its operation principle is described. The control system is assembled using K 155 and K 511 microcircuits and it was tested with CG at the pulse energy to 10 kJ. The tests have shown, that already to the third pulse the system provided quite shaped series of pulses

  11. Nonadiabatic Eigenfunctions Can Have Amplitude, Signed Conical Nodes, or Signed Higher Order Nodes at a Conical Intersection with Circular Symmetry (Open Access Publisher’s Version)

    Science.gov (United States)

    2017-09-26

    marked by black rings on the potential energy surfaces. In some sense, only about half of the zero point energy is available to each of the two...wheel at the bottom. The conical intersection at q1 = q2 = 0 and E = 0 is submerged below the zero-point energy of Ezp = 181 cm −1 ( black curve). The...J. Chem. Phys. 123, 044102 (2005)]. J. Chem. Phys. 2008, 128, 109902. (49) Clinton, W. L.; Rice , B. Reformulation of the Jahn-Teller Theorem. J

  12. Large-scale stability and astronomical constraints for coupled dark-energy models

    OpenAIRE

    Yang, W; Pan, S; Barrow, John David

    2018-01-01

    The physics of the dark energy and the dark matter is still an open issue in cosmology. The dark energy occupies about 68.5% of the total energy density of the universe today [1], and is believed to accelerate its observed expansion, but the physical nature, origin, and time evolution of this dark energy remain unknown. On the other hand, the dark matter sector (occupying almost 27.5% of the total energy density of the present-day universe) appears to be the principal gravitationa...

  13. Energy mix in Central European countries of the V4 group: The quest for stability

    Energy Technology Data Exchange (ETDEWEB)

    Janicek, Frantisek; Smitkova, Miroslava; Kubica, Juraj

    2010-09-15

    The paper examines the development of the energy mix in the countries of the V4 region (Czech Republic, Hungary, Poland, and Slovakia). Trends over the past two decades are summarised and critically examined but mainly possible energy scenarios by 2030 are presented. Based on existing scenarios for the V4 countries, the impacts are assessed of potential developments for various ratios between domestic and imported fossil fuels, nuclear sources and RES. The analysis spans the development in energy intensity of the national economies, structural changes in energy consumption in various areas in view of the liberalisation of energy markets.

  14. Dosimetric properties of new formulation of PRESAGE® with tin organometal catalyst: Development of sensitivity and stability to megavoltage energy.

    Science.gov (United States)

    Khezerloo, Davood; Nedaie, Hassan Ali; Takavar, Abbas; Zirak, Alireza; Farhood, Bagher; Banaee, Nooshin; Alidokht, Eisa

    2018-01-01

    Tin-base catalyst is one of the widely used organometallic catalysts in polyurethane technology. The purpose of this study was to evaluate the effect of tin organometallic catalyst in the radiation response and radiological properties of a new formula of PRESAGE ® . In the study, two types of PRESAGE were fabricated. A very little amount of dibutyltindillaurate (DBTDL) (0.07% weight) was used as a catalyst in the fabrication of new PRESAGE (i.e., PRESAGE with catalyst), which components were: 93.93% weight polyurethane, 5% weight tetrachloride, and 1% weight leucomalachite green (LMG). For PRESAGE without catalyst, 94% weight polyurethane, 4% weight tetrachloride, and 2% weight LMG were used. Radiochromic response and postirradiation stability of PRESAGEs were determined. Also, radiological characteristics of PRESAGEs, such as mass density, electron density, mass attenuation coefficient, and mass stopping power in different photon energies were assessed and compared with water. The absorption peak of new PRESAGE compared to PRESAGE without catalyst was observed without change. Sensitivity of new PRESAGE was higher than PRESAGE without catalyst and its stability after the first 1 h was relatively constant. Also, Mass attenuation coefficient of new PRESAGE in energy ranges catalyst in very low concentration can be used in fabrication of radiochromic polymer gel to achieve high sensitivity and stability as well as good radiological properties in the megavoltage photon beam.

  15. A study on the influence of High-energy Electron Beam Irradiation on Stabilities of IGZO Based TTFT

    International Nuclear Information System (INIS)

    Moon, Hye Ji; Oh, Hye Ran; Jung, So Hyun; Bae, Byung Seong; Yun, Eui Jung; Ryu, Min Ki; Cho, Kyoung Ik

    2011-01-01

    Recently, Ionizing has been used as an active layer in applications of transparent thin film transistors and the stabilities of TTFTs become the curricula issue. High-performance, stable IGZO-based TTFTsare also required in a high radiation environment, such as X-rays, gamma-rays, electron beams, etc., which suggests that studies on the variations in the electrical properties in a radiation environment are of critical importance for space applications of IGZO-based materials and devices. Hence, in this study we investigated the influence of high-energy electron beam irradiation on optical and gate-bias stabilities of IGZO-based TTFTs. The TTFTs has a top gate structure, which used IGZO and Al 2 O 3 films for the active layer and the gate dielectric, respectively. The W/L of the TTFTs was 10μm/10μm. The TTFTs were treated with Hubbub in air at room temperature at an electron beam energy of 0.8 MeV and a dose for 1 Χ 10 14 electrons/cm 2 . We developed TTFTs with excellent device properties and conclude that the Hubbub can improve the stabilities of IGZO-based TTFTs

  16. Effect of carbon nanospheres on shape stabilization and thermal behavior of phase change materials for thermal energy storage

    International Nuclear Information System (INIS)

    Mehrali, Mohammad; Tahan Latibari, Sara; Mehrali, Mehdi; Mahlia, Teuku Meurah Indra; Cornelis Metselaar, Hendrik Simon

    2014-01-01

    Highlights: • Introducing novel form-stable PCM of stearic acid (SA)/carbon nanospheres (CNSs). • The highest stabilized SA content is 83 wt% in the SA/CNS composites. • Increasing thermal conductivity of composite phase change material with high amount of latent heat. - Abstract: Stearic acid (SA) is one of the main phase change materials (PCMs) for medium temperature thermal energy storage systems. In order to stabilize the shape and enhance the thermal conductivity of SA, the effects of adding carbon nanospheres (CNSs) as a carbon nanofiller were examined experimentally. The maximum mass fraction of SA retained in CNSs was found as 80 wt% without the leakage of SA in a melted state, even when it was heated over the melting point of SA. The dropping point test shows that there was clearly no liquid leakage through the phase change process at the operating temperature range of the composite PCMs. The thermal stability and thermal properties of composite PCMs were investigated with a thermogravimetric analyzer (TGA) and differential scanning calorimeter (DSC), respectively. The thermal conductivity of the SA/CNS composite was determined by the laser flash method. The thermal conductivity at 35 °C increased about 105% for the highest loading of CNS (50 wt%). The thermal cycling test proved that form-stable composite PCMs had good thermal reliability and chemical durability after 1000 cycles of melting and freezing, which is advantageous for latent heat thermal energy storage (LHTES)

  17. Short-term influences and long-term fundamentals: stabilizing and destabilizing effects in the energy industries

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, Silvan [Royal Inst. of International Affairs, London (United Kingdom)

    1992-10-01

    The ideology of the market economy has become dominant in all walks of economic life and the energy industries are no exception. In the oil business, the stabilizing structures of the international majors and of long-term prices have been replaced by industrial fragmentation and market price mechanisms. Monopolies in other energy industries are being progressively dismantled. This live experiment is being conducted on an industry which historically has suffered from feast and famine economics and has tried to protect itself through various forms of cartelization. The short-term effects of this open market have so far tended to improve flexibility and consumer choice. The price instability has proved manageable. The danger is that cash flow compression will reduced investments in the future and an ability to make very long lead time shifts in the energy mix. For this some government intervention in markets is necessary. (author).

  18. Stability of the split-band solution and energy gap in the narrow-band region of the Hubbard model

    International Nuclear Information System (INIS)

    Arai, T.; Cohen, M.H.

    1980-01-01

    By inserting quasielectron energies ω calculated from the fully renormalized Green's function of the Hubbard model obtained in the preceding paper into the exact expression of Galitskii and Migdal, the ground-state energy, the chemical potential, and the dynamic- and thermodynamic-stability conditions are calculated in the narrow-band region. The results show that as long as the interaction energy I is finite, electrons in the narrow-band region do not obey the Landau theory of Fermi liquids, and a gap appears between the lowest quasielectron energy ω and the chemical potential μ for any occupation n, regardless of whether the lower band is exactly filled or not. This unusual behavior is possible because, when an electron is added to the system of N electrons, the whole system relaxes due to the strong interaction, introducing a relaxation energy difference between the two quantities. We also show that all previous solutions which exhibit the split-band structure, including Hubbard's work, yield the same conclusion that electrons do not behave like Landau quasiparticles. However, the energy gap is calculated to be negative at least for some occupations n, demonstrating the dynamic instability of those solutions. They also exhibit thermodynamic instability for certain occupations, while the fully renormalized solution, having sufficient electron correlations built in, satisfies the dynamic and thermodynamic stability conditions for all occupations. When the lower band is nearly filled, the nature of the solution is shown to change, making the coherent motion of electrons with fixed k values more difficult. In the pathological limit where I=infinity, however, the gap vanishes, yielding a metallic state

  19. Energy Mix in Central European Countries of the V4 Group: The Quest for Stability

    International Nuclear Information System (INIS)

    Janicek, F.; Smitkova, M.; Kubica, J.

    2010-01-01

    The paper examines the development of the energy mix in the countries of the V4 region (Czech Republic, Hungary, Poland, and Slovakia). Trends over the past two decades are summarised and critically examined but mainly possible energy scenarios by 2030 are presented and assessed. Based on existing scenarios for the V4 countries, the impacts are assessed of potential developments for various ratios between domestic and imported fossil fuels, nuclear sources and large and decentralised RES. The analysis spans the development in energy intensity of the national economies, structural changes in energy consumption in various areas such as the industry and households, tightening of environmental criteria and a reevaluation of the dependency on imports of primary energy sources with an outline of possible future development directions in power engineering in view of the liberalisation of energy markets.(author).

  20. A Theoretical Investigation of the Structure and Reactivity of the Molecular Constituents of Oil Sand and Oil Shale

    Energy Technology Data Exchange (ETDEWEB)

    Parish, Carol A. [Univ. of Richmond, VA (United States)

    2016-11-28

    2 reaction at three different sites on the 2-thienylmethyl radical. The addition is exothermic by 37 ~ 55 kcal mol-1 relative to the entrance channel. These excess energies are available to promote further decomposition or rearrangement of the adducts that lead to nascent products such as H, OH, H2O and CH2O. The reaction surfaces are characterized by relatively low barriers (most are lower than 10 kcal mol-1). Based upon a careful analysis of the overall barrier heights and reaction exothermicities, the formation of O2, OH and H2O is likely to be an important pathway in the radical recombination reactions of 2-thienylmethyl + HO2. This work was published in the Journal of Physical Chemistry A, 2011, 115, 14546-14557. REACTION OF THIOPHENE AND METHYLTHIOPHENE WITH SINGLET AND TRIPLET MOLECULAR OXYGEN Mechanisms for the reaction of thiophene and 2-methylthiophene with molecular oxygen on both the triplet and singlet potential energy surfaces (PESs) were investigated using ab initio methods. Thiophene and 2-methylthiophene where shown to react with O2 via two types of mechanisms; namely, direct hydrogen abstraction and addition/elimination. The barriers for reaction with triplet oxygen are all significantly large (i.e., > 30 kcal mol-1), which indicates that the direct oxidation of thiophene by ground state oxygen might be important only in high temperature processes. Reaction of thiophene with singlet oxygen via a 2+4 cycloaddition leading to endoperoxides is the most favorable channel. Moreover, it was found that alkylation of the thiophene ring (i.e., methyl-substituted thiophene) is capable of lowering the barrier height for the addition pathway. The implication of the current theoretical results may shed new light on the initiation mechanisms for combustion of asphaltenes. This work was published in the Journal of Physical Chemistry A, 2012 116, 4934-4946. JAHN-TELLER STABILIZATION IN POSS CATIONS We have a long

  1. Factors responsible for the stability and the existence of a clean energy gap of a silicon nanocluster

    International Nuclear Information System (INIS)

    Liu, Lei; Jayanthi, C. S.; Wu, Shi-Yu

    2001-01-01

    We present a critical theoretical study of electronic properties of silicon nanoclusters, in particular the roles played by symmetry, relaxation, and hydrogen passivation on the stability, the gap states and the energy gap of the system using the order N [O(N)] nonorthogonal tight-binding molecular dynamics and the local analysis of electronic structure. We find that for an unrelaxed cluster with its atoms occupying the regular tetrahedral network, the presence of undistorted local bonding configuration is sufficient for the appearance of a small clean energy gap. However, the energy gap of the unrelaxed cluster does not start at the highest occupied molecular orbital (HOMO). In fact, between the HOMO and the lower edge of the energy gap, localized dangling bond states are found. With hydrogen passivation, the localized dangling bond states are eliminated, resulting in a wider and clean energy gap. Relaxation of these hydrogen passivated clusters does not alter either the structure or the energy gap appreciably. However, if the silicon clusters are allowed to relax first, the majority of the dangling bonds are eliminated but additional defect states due to bond distortion appear, making the energy gap dirty. Hydrogen passivation of these relaxed clusters will further eliminate most of the remnant dangling bonds but no appreciable effect on the defect states associated with bond distortions will take place, thus still resulting in a dirty gap. For the hydrogen-passivated Si N nanoclusters with no bond distortion and no overall symmetry, we have studied the variation of the energy gap as a function of size of the cluster for N in the range of 80< N<6000. The dependence of the energy gap on the size shows similar behavior to that for silicon nanoclusters with no bond distortion but possessing overall symmetry

  2. Evaluation by fluorescence resonance energy transfer of the stability of nonviral gene delivery vectors under physiological conditions.

    Science.gov (United States)

    Itaka, Keiji; Harada, Atsushi; Nakamura, Kozo; Kawaguchi, Hiroshi; Kataoka, Kazunori

    2002-01-01

    The stability in physiological medium of polyplex- and lipoplex-type nonviral gene vectors was evaluated by detecting the conformational change of complexed plasmid DNA (pDNA) labeled simultaneously with fluorescein (energy donor) and X-rhodamine (energy acceptor) through fluorescence resonance energy transfer (FRET). Upon mixing with cationic components, such as LipofectAMINE, poly(L-lysine), and poly(ethylene glycol)-poly(L-lysine) block copolymer (PEG-PLys), the fluorescence spectrum of doubly labeled pDNA underwent a drastic change due to the occurrence of FRET between the donor-acceptor pair on pDNA taking a globular conformation (condensed state) through complexation. The measurement was carried out also in the presence of 20% serum, under which conditions FRET from condensed pDNA was clearly monitored without interference from coexisting components in the medium, allowing evaluation of the condensed state of pDNA in nonviral gene vectors under physiological conditions. Serum addition immediately induced a sharp decrease in FRET for the LipofectAMINE/pDNA (lipoplex) system, which was consistent with the sharp decrease in the transfection efficiency of the lipoplex system in serum-containing medium. In contrast, the PEG-PLys/pDNA polyplex (polyion complex micelle) system maintained appreciable transfection efficiency even in serum-containing medium, and FRET efficiency remained constant for up to 12 h, indicating the high stability of the polyion complex micelle under physiological conditions.

  3. Effective moisture diffusivity and activation energy of rambutan seed under different drying methods to promote storage stability

    Science.gov (United States)

    Ahmad, So'bah; Shamsul Anuar, Mohd; Saleena Taip, Farah; Shamsudin, Rosnah; M, Siti Roha A.

    2017-05-01

    The effects of two drying methods, oven and microwave drying on the effective moisture diffusivity and activation energy of rambutan seed were studied. Effective moisture diffusivity and activation energy are the main indicators used for moisture movement within the material. Hence, it is beneficial to determine an appropriate drying method to attain a final moisture content of rambutan seed that potentially could be used as secondary sources in the industry. An appropriate final moisture content will provide better storage stability that can extend the lifespan of the rambutan seed. The rambutan seeds were dried with two drying methods (oven and microwave) at two level of the process variables (oven temperature; 40°C and 60°C and microwave power; 250W and 1000W) at constant initial moisture contents. The result showed that a higher value of effective moisture diffusivity and less activation energy were observed in microwave drying compared to oven drying. This finding portrays microwave drying expedites the moisture removal to achieve the required final moisture content and the most appropriate drying method for longer storage stability for rambutan seed. With respect to the process variables; higher oven temperatures and lower microwave powers also exhibit similar trends. Hopefully, this study would provide a baseline data to determine an appropriate drying method for longer storage period for turning waste to by-products.

  4. Highly efficient separation of surfactant stabilized water-in-oil emulsion based on surface energy gradient and flame retardancy.

    Science.gov (United States)

    Long, Mengying; Peng, Shan; Deng, Wanshun; Miao, Xinrui; Wen, Ni; Zhou, Qiannan; Deng, Wenli

    2018-06-15

    Surface energy gradient would generate an imbalance force to drive tiny water droplets in dry air from the hydrophilic bumps to superhydrophobic domains, which has found on the Stenocara beetle's back. Inspired by this phenomenon, we introduced a pristine superhydrophilic filter paper on the lower surface energy superhydrophobic filter paper. ZnSn(OH) 6 particles and polydimethylsiloxane were mixed to prepare the superhydrophobic coating, and the coating was spray-coated on the poly(dialkyldimethylammonium chloride) covered filter paper to separate the span 80 stabilized water-in-isooctane emulsion. A pristine filter paper was added on the superhydrophobic filter paper to fabricate another membrane for separation. The results revealed that with a pristine filter paper, the membrane performed higher efficiency and more recyclability, and it could separate the emulsions with higher surfactant concentrations. The stabilized water droplets passed the superamphiphilic surface, and hindered by the superhydrophobic surface, generating a surface energy gradient for better separation. In addition, the superhydrophobic membrane could be protected from fire to some degree due to the introduced ZnSn(OH) 6 particles with excellent flame retardancy. This easy and efficient approach via simply bringing in pristine superhydrophilic membrane has great potential applications for water-in-oil emulsion separation or oil purification. Copyright © 2018 Elsevier Inc. All rights reserved.

  5. Stability Analysis of a Model of Atherogenesis: An Energy Estimate Approach II

    KAUST Repository

    Ibragimov, A. I.; McNeal, C. J.; Ritter, L. R.; Walton, J. R.

    2010-01-01

    This paper considers modelling atherogenesis, the initiation of atherosclerosis, as an inflammatory instability. Motivated by the disease paradigm articulated by Russell Ross, atherogenesis is viewed as an inflammatory spiral with positive feedback loop involving key cellular and chemical species interacting and reacting within the intimal layer of muscular arteries. The inflammation is modelled through a system of non-linear reaction-diffusion-convection partial differential equations. The inflammatory spiral is initiated as an instability from a healthy state which is defined to be an equilibrium state devoid of certain key inflammatory markers. Disease initiation is studied through a linear, asymptotic stability analysis of a healthy equilibrium state. Various theorems are proved giving conditions on system parameters guaranteeing stability of the health state and conditions on system parameters leading to instability. Among the questions addressed in the analysis is the possible mitigating effect of anti-oxidants upon transition to the inflammatory spiral. © 2010 Taylor & Francis.

  6. Nuclear Energy Research Initiative. Development of a Stabilized Light Water Reactor Fuel Matrix for Extended Burnup

    International Nuclear Information System (INIS)

    BD Hanson; J Abrefah; SC Marschman; SG Prussin

    2000-01-01

    The main objective of this project is to develop an advanced fuel matrix capable of achieving extended burnup while improving safety margins and reliability for present operations. In the course of this project, the authors improve understanding of the mechanism for high burnup structure (HBS) formation and attempt to design a fuel to minimize its formation. The use of soluble dopants in the UO 2 matrix to stabilize the matrix and minimize fuel-side corrosion of the cladding is the main focus

  7. Calculations of the thermal expansion, cohesive energy and thermodynamic stability of a Van der Waals crystal - fullerene C60

    International Nuclear Information System (INIS)

    Zubov, V.I.; Tretiakov, N.P.; Teixeira Rabelo, J.N.; Sanchez Ortiz, J.F.

    1994-01-01

    The temperature dependence of the intermolecular distance and the cohesive energy in the high-temperature modification of C 60 solid fullerene was studied on basis of the correlative method of unsymmetrized self-consistent field. The central intermolecular potential of Girifalco and its approximation by Yakub were used. We conclude about the decisive role of anharmonic effects at high temperatures. The discrepancy between the calculated and experimental values of intermolecular distance does not exceed 0.8% on the whole temperature interval. The temperature of loss of thermodynamic stability was obtained (∼1915 K) and a possible melting temperature was estimated (∼1400 K). ((orig.))

  8. Technical Note: Improved CT number stability across patient size using dual-energy CT virtual monoenergetic imaging

    International Nuclear Information System (INIS)

    Michalak, Gregory; Grimes, Joshua; Fletcher, Joel; Yu, Lifeng; Leng, Shuai; McCollough, Cynthia; Halaweish, Ahmed

    2016-01-01

    Purpose: The purpose of this study was to evaluate, over a wide range of phantom sizes, CT number stability achieved using two techniques for generating dual-energy computed tomography (DECT) virtual monoenergetic images. Methods: Water phantoms ranging in lateral diameter from 15 to 50 cm and containing a CT number test object were scanned on a DSCT scanner using both single-energy (SE) and dual-energy (DE) techniques. The SE tube potentials were 70, 80, 90, 100, 110, 120, 130, 140, and 150 kV; the DE tube potential pairs were 80/140, 70/150Sn, 80/150Sn, 90/150Sn, and 100/150Sn kV (Sn denotes that the 150 kV beam was filtered with a 0.6 mm tin filter). Virtual monoenergetic images at energies ranging from 40 to 140 keV were produced from the DECT data using two algorithms, monoenergetic (mono) and monoenergetic plus (mono+). Particularly in large phantoms, water CT number errors and/or artifacts were observed; thus, datasets with water CT numbers outside ±10 HU or with noticeable artifacts were excluded from the study. CT numbers were measured to determine CT number stability across all phantom sizes. Results: Data exclusions were generally limited to cases when a SE or DE technique with a tube potential of less than 90 kV was used to scan a phantom larger than 30 cm. The 90/150Sn DE technique provided the most accurate water background over the large range of phantom sizes evaluated. Mono and mono+ provided equally improved CT number stability as a function of phantom size compared to SE; the average deviation in CT number was only 1.4% using 40 keV and 1.8% using 70 keV, while SE had an average deviation of 11.8%. Conclusions: The authors’ report demonstrates, across all phantom sizes, the improvement in CT number stability achieved with mono and mono+ relative to SE

  9. Technical Note: Improved CT number stability across patient size using dual-energy CT virtual monoenergetic imaging

    Energy Technology Data Exchange (ETDEWEB)

    Michalak, Gregory; Grimes, Joshua; Fletcher, Joel; Yu, Lifeng; Leng, Shuai; McCollough, Cynthia, E-mail: mccollough.cynthia@mayo.edu [Department of Radiology, Mayo Clinic, Rochester, Minnesota 55905 (United States); Halaweish, Ahmed [Siemens Medical Solutions, Malvern, Pennsylvania 19355 (United States)

    2016-01-15

    Purpose: The purpose of this study was to evaluate, over a wide range of phantom sizes, CT number stability achieved using two techniques for generating dual-energy computed tomography (DECT) virtual monoenergetic images. Methods: Water phantoms ranging in lateral diameter from 15 to 50 cm and containing a CT number test object were scanned on a DSCT scanner using both single-energy (SE) and dual-energy (DE) techniques. The SE tube potentials were 70, 80, 90, 100, 110, 120, 130, 140, and 150 kV; the DE tube potential pairs were 80/140, 70/150Sn, 80/150Sn, 90/150Sn, and 100/150Sn kV (Sn denotes that the 150 kV beam was filtered with a 0.6 mm tin filter). Virtual monoenergetic images at energies ranging from 40 to 140 keV were produced from the DECT data using two algorithms, monoenergetic (mono) and monoenergetic plus (mono+). Particularly in large phantoms, water CT number errors and/or artifacts were observed; thus, datasets with water CT numbers outside ±10 HU or with noticeable artifacts were excluded from the study. CT numbers were measured to determine CT number stability across all phantom sizes. Results: Data exclusions were generally limited to cases when a SE or DE technique with a tube potential of less than 90 kV was used to scan a phantom larger than 30 cm. The 90/150Sn DE technique provided the most accurate water background over the large range of phantom sizes evaluated. Mono and mono+ provided equally improved CT number stability as a function of phantom size compared to SE; the average deviation in CT number was only 1.4% using 40 keV and 1.8% using 70 keV, while SE had an average deviation of 11.8%. Conclusions: The authors’ report demonstrates, across all phantom sizes, the improvement in CT number stability achieved with mono and mono+ relative to SE.

  10. Experimental verificatio of load resistance switching for global stabilization of high-energy response of a nonlinear wideband electromagnetic vibration energy harvester

    International Nuclear Information System (INIS)

    Sato, T; Masuda, A; Sanada, T

    2015-01-01

    This paper presents an experimental verification of a self-excitation control of a resonance- type vibration energy harvester with a Duffing-type nonlinearity which is designed to perform effectively in a wide frequency range. For the conventional linear vibration energy harvester, the performance of the power generation at the resonance frequency and the bandwidth of the resonance peak are trade-off. The resonance frequency band can be expanded by introducing a Duffing-type nonlinear oscillator in order to enable the harvester to generate larger electric power in a wider frequency range. However, since such nonlinear oscillator can have multiple stable steady-state solutions in the resonance band, it is difficult for the nonlinear harvester to maintain the high performance of the power generation constantly. The principle of self-excitation and entrainment has been utilized to provide the global stability to the highest-energy solution by destabilizing other unexpected lower-energy solutions by introducing a switching circuit of the load resistance between positive and the negative values depending on the response amplitude of the oscillator. It has been experimentally validated that this control law imparts the self-excitation capability to the oscillator to show an entrainment into the highest-energy solution. (paper)

  11. Effect of autoclave induced low-temperature degradation on the adhesion energy between yttria-stabilized zirconia veneered with porcelain.

    Science.gov (United States)

    Li, Kai Chun; Waddell, J Neil; Prior, David J; Ting, Stephanie; Girvan, Liz; van Vuuren, Ludwig Jansen; Swain, Michael V

    2013-11-01

    To investigate the effect of autoclave induced low-temperature degradation on the adhesion energy between yttria-stabilized zirconia veneered with porcelain. The strain energy release rate using a four-point bending stable fracture test was evaluated for two different porcelains [leucite containing (VM9) and glass (Zirox) porcelain] veneered to zirconia. Prior to veneering the zirconia had been subjected to 0 (control), 1, 5, 10 and 20 autoclave cycles. The specimens were manufactured to a total bi-layer dimension of 30 mm × 8 mm × 3 mm. Subsequent scanning electron microscopy/energy dispersive spectrometry, electron backscatter diffraction and X-ray diffraction analysis were performed to identify the phase transformation and fracture behavior. The strain energy release rate for debonding of the VM9 specimens were significantly higher (pautoclave cycles lowered the strain energy release rate significantly (pautoclave cycles between 5 and 20. The monoclinic phase reverted back to tetragonal phase after undergoing conventional porcelain firing cycles. EBSD data showed significant changes of the grain size distribution between the control and autoclaved specimen (cycle 20). Increasing autoclave cycles only significantly decreased the adhesion of the VM9 layered specimens. In addition, a conventional porcelain firing schedule completely reverted the monoclinic phase back to tetragonal. Copyright © 2013 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  12. Achieving climate stabilization in an insecure world: does renewable energy hold the key? Final report

    Energy Technology Data Exchange (ETDEWEB)

    Katofsky, Ryan; Stanberry, Matt; Frantzis, Lisa

    2010-07-12

    This renewable energy in global scenarios project has the objective to define an RETD Scenario with a high uptake of renewable energies. Computer models of the global energy system were, for the most part, developed under assumptions of smooth demand growth met primarily with large, centralised infrastructure, and perform well under these conditions. However, these assumptions are being undermined by several changes that require a re-evaluation of modelling algorithms. In an effort to address these changes and better understand their impact, RETD has defined its own scenario and developed it in collaboration with the Energy Technology Systems Analysis Programme (ETSAP) Implementing Agreement, making use of a techno-economic bottom-up methodology. The scenario was modelled using the ETSAP-TIAM model.

  13. Estimates of emittance dilution and stability in high-energy linear accelerators

    Directory of Open Access Journals (Sweden)

    T. O. Raubenheimer

    2000-12-01

    Full Text Available In this paper, we present a series of analytic expressions to predict the beam dynamics in a long linear accelerator. These expressions can be used to model the linac optics, calculate the magnitude of the wakefields, estimate the emittance dilution due to misaligned accelerator components, and estimate the stability and jitter limitations. The analytic expressions are based on the results of simple physics models and are useful to understand the parameter sensitivities. They are also useful when using simple codes or spreadsheets to optimize a linac system.

  14. Stabilization and control of tie-line power flow of microgrid including wind generation by distributed energy storage

    Energy Technology Data Exchange (ETDEWEB)

    Molina, M.G.; Mercado, P.E. [CONICET, Instituto de Energia Electrica, Universidad Nacional de San Juan, Av. Libertador San Martin Oeste 1109, J5400ARL San Juan (Argentina)

    2010-06-15

    High penetration of wind generation in electrical microgrids causes fluctuations of tie-line power flow and significantly affects the power system operation. This can lead to severe problems, such as system frequency oscillations, and/or violations of power lines capability. With proper control, a distribution static synchronous compensator (DSTATCOM) integrated with superconducting magnetic energy storage (SMES) is able to significantly enhance the dynamic security of the power system. This paper proposes the use of a SMES system in combination with a DSTATCOM as effective distributed energy storage (DES) for stabilization and control of the tie-line power flow of microgrids incorporating wind generation. A new detailed model of the integrated DSTATCOM-SMES device is derived and a novel three-level control scheme is designed. The dynamic performance of the proposed control schemes is fully validated using MATLAB/Simulink. (author)

  15. Static and Dynamic Stability Analysis of Distributed Energy Resources Components with Storage Devices and Loads for Smart Grids

    DEFF Research Database (Denmark)

    Mihet-Popa, Lucian; Groza, V.

    2011-01-01

    of the Smart Grids (SGs). A SG can operate interconnected to the main distribution grid or in islanded mode. This paper presents experimental tests for static and dynamic stability analysis carried out in a dedicated laboratory for research in distributed control and smart grid with a high share of renewable......The distributed energy resources (DER) contains several technologies, such as diesel engines, small wind turbines, photovoltaic inverters, etc. The control of DER components with storage devices and (controllable) loads, such as batteries, capacitors, dump loads, are central to the concept...... energy production. Moreover to point out, on a laboratory scale, the coupling between DR and storage and to effectively compensate wind fluctuations a number of tests have been done. In order to find out the parameters of various types of DER components for dynamic simulation models a number of tests...

  16. Enhancement of load frequency stabilization effect of superconducting magnetic energy storage by static synchronous series compensator based on H ∞ control

    International Nuclear Information System (INIS)

    Ngamroo, Issarachai; Taeratanachai, Chanin; Dechanupaprittha, Sanchai; Mitani, Yasunori

    2007-01-01

    It is well known that the load frequency stabilization effect of superconducting magnetic energy storage (SMES) in an interconnected power system is restricted to its located area. The SMES almost has no frequency stabilization effect in another interconnected area. To enhance the frequency stabilization effect of SMES, the static synchronous series compensator (SSSC) can be applied as an auxiliary device. The SSSC can be used as an energy transfer device of the SMES to stabilize the frequency in another interconnected area. The proposed technique not only introduces a sophisticated frequency stabilization in deregulated power systems but also offers a smart energy management control of SMES. In addition, to take the robust stability of the controlled power system against system uncertainties into account, the H ∞ control is used to design robust frequency stabilizers of the SMES and SSSC. Simulation results in a two area interconnected power system confirm the high robustness of the frequency stabilizers SMES and SSSC against load disturbances and system uncertainties

  17. The impact of turbulent renewable energy production on power grid stability and quality

    Science.gov (United States)

    Schmietendorf, Katrin; Peinke, Joachim; Kamps, Oliver

    2017-11-01

    Feed-in fluctuations induced by renewables are one of the key challenges to the stability and quality of electrical power grids. In particular short-term fluctuations disturb the system on a time scale, on which load balancing does not operate yet and the system is intrinsically governed by self-organized synchronization. Wind and solar power are known to be strongly non-Gaussian with intermittent increment statistics in these time scales. We investigate the impact of short-term wind fluctuations on the basis of a Kuramoto-like power grid model considering stability in terms of desynchronization and frequency and voltage quality aspects. We present a procedure to generate realistic feed-in fluctuations with temporal correlations, Kolmogorov power spectrum and intermittent increments. By comparison to correlated Gaussian noise of the same spectrum and Gaussian white noise, we found out that while the correlations are essential to capture the likelihood of severe outages, the intermittent nature of wind power has significant consequences on power quality: intermittency is directly transferred into frequency and voltage fluctuations yielding a novel type of fluctuations, which is beyond engineering status of knowledge.

  18. Thermo-physical stability of fatty acid eutectic mixtures subjected to accelerated aging for thermal energy storage (TES) application

    International Nuclear Information System (INIS)

    Fauzi, Hadi; Metselaar, Hendrik S.C.; Mahlia, T.M.I.; Silakhori, Mahyar

    2014-01-01

    The thermo-physical stability of fatty acids eutectic mixtures subjected to accelerated number of melting/solidification processes has been identified using thermal cycling test in this study. Myristic acid/palmitic acid (MA/PA) (70/30, wt.%) and myristic acid/palmitic acid/sodium stearate (MA/PA/SS) (70/30/5, wt.%) were selected as eutectic phase change materials (PCMs) to evaluate their stability of phase transition temperature, latent heat of fusion, chemical structure, and volume changes after 200, 500, 1000, and 1500 thermal cycles. The thermal properties of each eutectic PCMs measured by differential scanning calorimetric (DSC) indicated the phase transition temperature and latent heat of fusion values of MA/PA/SS has a smallest changes after 1500 thermal cycles than MA/PA eutectic mixture. MA/PA/SS also has a better chemical structure stability and smaller volume change which is 1.2%, compared to MA/PA with a volume change of 1.6% after 1500 cycles. Therefore, it is concluded that the MA/PA/SS eutectic mixture is suitable for use as a phase change material in thermal energy storage (TES) such as solar water heating and solar space heating applications. - Highlights: •The prepared MA/PA and MA/PA/SS were used as eutectic phase change materials (PCM). •Thermo-physical reliability of eutectic PCMs evaluated using a thermal cycling test. •MA/PA/SS has a great thermo-physical stability than MA/PA after 1500 thermal cycles

  19. Effect of boot shaft stiffness on stability joint energy and muscular co-contraction during walking on uneven surface.

    Science.gov (United States)

    Böhm, Harald; Hösl, Matthias

    2010-09-17

    Increased boot shaft stiffness may have a noticeable impact on the range of motion of the ankle joint. Therefore, the ability of the ankle joint to generate power for propulsion might be impaired. This might result in compensatory changes at the knee and hip joint. Besides, adaptability of the subtalar joint to uneven surface might be reduced, which could in turn affect stability. The aim of the study was therefore to investigate the influence of boot shaft stiffness on biomechanical gait parameters. Fifteen healthy young adults walked over coarse gravel wearing two different hiking boots that differed by 50% in passive shaft stiffness. Leg kinematics, kinetics and electromyography were measured. Gait velocity and indicators for stability were not different when walking with the hard and soft boot shaft over the gravel surface. However, the hard boot shaft decreased the ankle range of motion as well as the eccentric energy absorbed at the ankle joint. As a consequence, compensatory changes at the knee joint were observed. Co-contraction was increased, and greater eccentric energy was absorbed. Therefore, the efficiency of gait with hard boots might be decreased and joint loading at the knee might be increased, which might cause early fatigue of knee muscles during walking or hiking. The results of this study suggest that stiffness and blocking of joint motion at the ankle should not be equated with safety. A trade-off between lateral stiffness and free natural motion of the ankle joint complex might be preferable.

  20. InN: Fermi level stabilization by low-energy ion bombardment

    International Nuclear Information System (INIS)

    Piper, L.F.J.; Veal, T.D.; McConville, C.F.; Lu, H.; Schaff, W.J.

    2006-01-01

    The near-surface electronic properties of InN have been investigated with high-resolution electron-energy loss spectroscopy. Low-energy (∝400 eV) nitrogen ion bombardment followed by low temperature annealing (<300 C) was found to dramatically increase the n-type conductivity of InN, close to the surface. This is explained in terms of the formation of amphoteric defects from the ion bombardment and annealing combined with the band structure of InN. Low-energy ion bombardment and annealing is shown to result in a damage-induced, donor-like defect-profile instead of the expected electron accumulation for InN. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  1. Size and shape dependent Gibbs free energy and phase stability of titanium and zirconium nanoparticles

    International Nuclear Information System (INIS)

    Xiong Shiyun; Qi Weihong; Huang Baiyun; Wang Mingpu; Li Yejun

    2010-01-01

    The Debye model of Helmholtz free energy for bulk material is generalized to Gibbs free energy (GFE) model for nanomaterial, while a shape factor is introduced to characterize the shape effect on GFE. The structural transitions of Ti and Zr nanoparticles are predicted based on GFE. It is further found that GFE decreases with the shape factor and increases with decreasing of the particle size. The critical size of structural transformation for nanoparticles goes up as temperature increases in the absence of change in shape factor. For specified temperature, the critical size climbs up with the increase of shape factor. The present predictions agree well with experiment values.

  2. The energy and stability of helium-related cluster in nickel: A study of molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Gong, Hengfeng, E-mail: gonghengfeng@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Division of Nuclear Materials and Engineering, Shanghai 201800 (China); Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Wang, Chengbin; Zhang, Wei; Xu, Jian [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Division of Nuclear Materials and Engineering, Shanghai 201800 (China); Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Huai, Ping, E-mail: huaiping@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Division of Nuclear Materials and Engineering, Shanghai 201800 (China); Key Laboratory of Nuclear Radiation and Nuclear Energy Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Deng, Huiqiu; Hu, Wangyu [Hunan University, Department of Applied Physics, Changsha 410082 (China)

    2016-02-01

    Highlights: • The He-related clusters exhibit the very high symmetry. • The trapping capability of vacancy to defects becomes weak due to the pre-existed SIA. • The average length of He{sub N}V{sub 1} clusters is longer than one of He{sub N} and He{sub N}V{sub 1}SIA{sub 1} cluster. - Abstract: Using molecular dynamics simulation, we investigated the energy and stability of helium-related cluster in nickel. All the binding energies of the He-related clusters are demonstrated to be positive and increase with the cluster sizes. Due to the pre-existed self-interstitial nickel atom, the trapping capability of vacancy to defects becomes weak. Besides, the minimum energy configurations of He-related clusters exhibit the very high symmetry in the local atomistic environment. And for the He{sub N} and He{sub N}V{sub 1}SIA{sub 1} clusters, the average length of He–He bonds shortens, but it elongates for the He{sub N}V{sub 1} clusters with helium cluster sizes. The helium-to-vacancy ratio plays a decisive role on the binding energies of He{sub N}V{sub M} cluster. These results can provide some excellent clues to insight the initial stage of helium bubbles nucleation and growth in the Ni-based alloys for the Generation-IV Molten Salt Reactor.

  3. Analysis of nonlinear vibrations and stability of rotating asymmetrical nano-shafts incorporating surface energy effects

    Science.gov (United States)

    Ghodousi, Maryam; Shahgholi, Majid; Payganeh, Gholamhassan

    2018-03-01

    The objective of the present work is to investigate the nonlinear vibrations of the rotating asymmetrical nano-shafts by considering surface effect. In order to compute the surface stress tensor, the surface elasticity theory is used. The governing nonlinear equations of motion are obtained with the aid of variational approach. Bubnov-Galerkin is a very effective method for exploiting the reduced-order model of the equations of motion. The averaging method is employed to analyze the reduced-order model of the system. For this purpose, the well-known Van der Pol transformation in the complex form and angle-action transformation are utilized. The effect of surface stress on the forward and backward speeds, steady state responses of the system, fixed points, close orbits and stability of the solutions is examined. The preliminary results of the research show that the absolute values of forward and backward whirling speeds in the presence of surface effect with positive residual surface stress are higher than those of regarding the system without surface effect and in the presence of surface effect with negative residual surface stress. In addition, it is seen that the undamped rotating asymmetrical nano-shaft, for specified value of detuning parameter, in the absence or presence of surface effect has various number of stable and unstable periodic solutions. Besides, there is different number of separatrix (homoclinic orbit type). Furthermore, bifurcations, number of solutions and their stability for damped rotating asymmetrical nano-shaft are investigated. Also, the above results have been obtained for rotating symmetrical nano-shaft.

  4. Energy recuperation in fully electric vehicles subject to stability and drivability requirements

    NARCIS (Netherlands)

    Ólafsdóttir, J.M.; Lidberg, M.; Falcone, P.; Iersel, S. van; Jansen, S.T.H.

    2012-01-01

    This paper presents a combined control and estimation framework for energy recuperation in fully electric vehicles. We consider a fully electric powertrain, with a driven front axle operating on low friction road surfaces. Our objective is to find the blending of regenerative and friction braking

  5. Renewable Energy Price-Stability Benefits in Utility Green Power Programs. 36 pp

    Energy Technology Data Exchange (ETDEWEB)

    Bird, Lori A. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Cory, Karlynn S. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Swezey, Blair G. [Applied Materials, Santa Clara, CA (United States)

    2008-08-01

    This paper examines utility experiences when offering the fixed-price benefits of renewable energy in green pricing programs, including the methods utilized and the impact on program participation. It focuses primarily on utility green pricing programs in states that have not undergone electric industry restructuring.

  6. Renewable Energy Price-Stability Benefits in Utility Green Power Programs

    Energy Technology Data Exchange (ETDEWEB)

    Bird, L. A.; Cory, K. S.; Swezey, B. G.

    2008-08-01

    This paper examines utility experiences when offering the fixed-price benefits of renewable energy in green pricing programs, including the methods utilized and the impact on program participation. It focuses primarily on utility green pricing programs in states that have not undergone electric industry restructuring.

  7. High Energy Moisture Characteristics: Linking Between Soil Physical Processes and Structure Stability

    Science.gov (United States)

    Water storage and flow in soils is usually complicated by the intricate nature of and changes in soil pore size distribution (PSD) due to modifications in soil structure following changes in agricultural management. The paper presents the Soil High Energy Moisture Characteristic (Soil-HEMC) method f...

  8. Stability analysis of the Gyroscopic Power Take-Off wave energy point absorber

    DEFF Research Database (Denmark)

    Nielsen, Søren R. K.; Zhang, Zili; Kramer, Morten Mejlhede

    2015-01-01

    The Gyroscopic Power Take-Off (GyroPTO) wave energy point absorber consists of a float rigidly connected to a lever. The operational principle is somewhat similar to that of the so-called gyroscopic hand wrist exercisers, where the rotation of the float is brought forward by the rotational particle...

  9. Probing the stability of superheavy dark matter particles with high-energy neutrinos

    International Nuclear Information System (INIS)

    Esmaili, Arman; Peres, O.L.G.

    2012-01-01

    Full text: There is currently mounting evidence for the existence of dark matter in our Universe from various astrophysical and cosmological observations, but the two of the most fundamental properties of the dark matter particle, the mass and the lifetime, are only weakly constrained by the astronomical and cosmological evidence of dark matter. We derive lower limits on the lifetime of dark matter particles with masses in the range 10 TeV - 10 18 GeV from the non-observation of ultrahigh energy neutrinos in the AMANDA, IceCube, Auger and ANITA experiments. All these experiments probe different energy windows and perfectly complement each other. For dark matter particles which produce neutrinos in a two body or a three body decay, we find that the dark matter lifetime must be longer than ∼ 10 26 s for masses between 10 TeV and the Grand Unification scale. We will consider various scenarios where the decay of the dark matter particle produces high energy neutrinos. Neutrinos travel in the Universe without suffering an appreciable attenuation, even for EeV neutrinos, in contrast to photons which rapidly lose their energy via pair production. This remarkable property makes neutrinos a very suitable messenger to constrain the lifetime of superheavy dark matter particles. Finally, we also calculate, for concrete particle physics scenarios, the limits on the strength of the interactions that induce the dark matter decay. (author)

  10. Measurement and stabilization of the longitudinal and transversal tune on the fast energy ramp at ELSA

    Energy Technology Data Exchange (ETDEWEB)

    Eberhardt, Maren [Electron Stretcher Accelerator ELSA, Physikalisches Institut, Universitaet Bonn (Germany)

    2008-07-01

    At the electron stretcher accelerator ELSA, an external beam of unpolarized or polarized electrons is supplied to experimental set-ups. In order to correct for dynamic effects caused by eddy currents induced on the fast energy ramp, the accelerator tunes have to measured in situ with high precision. The measurements of betatron tunes during the fast energy ramp are based on the excitation of coherent betatron oscillations generated by a pulsed kicker magnet. The betatron frequency is determined by a Fourier analysis of the measured oscillations of the beam position. This technique was successfully applied to measure the horizontal tune on the fast energy ramp. During the fast energy ramp shifts of the betatron tune caused by eddy currents are induced. These tune shifts are measured and corrected when operating the accelerator with polarized beam. Measurements of coherent synchrotron oscillations will also be presented. These are excited by a phase modulation of the acceleration voltage using an electrical phase shifter in the reference RF signal path.

  11. Environment sensitive embedding energies of impurities, and grain boundary stability in tantalum

    International Nuclear Information System (INIS)

    Krasko, G.L.

    1996-01-01

    Metalloid impurities have a very low solubility in tantalum, and therefore prefer to segregate at the grain boundaries (GBs). In order to analyze the energetics of the impurities on the tantalum GB, the LMTO calculations were performed on a simple 8-atom supercell emulating a typical (capped trigonal prism) GB environment. The so-called environment-sensitive embedding energies were calculated for hydrogen, boron, carbon, nitrogen, oxygen, phosphorus, and sulphur, as a function of the electron charge density due to the host atoms at the impurity site. The calculations showed that, at the electron density typical of a GB, carbon has the lowest energy (followed by Nitrogen and Boron) and thus would compete with the other impurities for the site on the GB, tending to displace them from the GB. The above energies were then used in a modified Finnis-Sinclair embedded atom approach for calculating the cohesive energies and the equilibrium interplanar distances in the vicinity of a (111) Σ3 tilt GB plane, both for the clean GB and that with an impurity. These distances were found to oscillate, returning to the value corresponding to the equilibrium spacing between (111) planes in bulk BCC tantalum by the 10th--12th plane off the GB. Carbon, nitrogen and boron somewhat dampen the deformation wave (making the oscillations less than in the clean GB), while oxygen, phosphorus and sulphur result in an increase of the oscillations. The cohesive energies follow the same trend, the GB with carbon being the most stable. Thus, carbon, nitrogen and boron may be thought of as being cohesion enhancers, while oxygen, phosphorus and sulphur result in decohesion effects

  12. Eurogulf: an Eu-GCC dialogue for energy stability and sustainability. Final research report

    International Nuclear Information System (INIS)

    Naji, Abi-Aad; Skinner, R.; Arnott, R.; Mabro, R.; Luciani, G.; Luciani, G.

    2005-01-01

    The EUROGULF project was launched in 2002 by a consortium led by the Robert Schuman Centre for Advanced Studies at the European University Institute, and comprising the Oxford Institute of Energy Studies, the Energy Policy Unit of the National Technical University of Athens and ECONERGY SAL of Beirut. Funding is provided by the European Commission through a grant from the SYNERGY program. The objective of the project is to analyse European Union (EU) - Gulf Cooperation Council (GCC) relations with respect to oil and gas issues and propose new policy initiatives and approaches to enhance cooperation between the two regional groupings. The project has originated a collection of papers whose provisional drafts have been discussed in two workshops: in Riyadh in April 2004, and in Florence in November 2004. This document is the final research report presented at the concluding conference in Kuwait, on April 2005. It gathers the final versions of the project papers: Executive Summary and Policy Paper; Task 1 - Economic and Political Conditions for Energy Security: Prospects for Oil and Gas Exports from the GCC Member Countries; Prospects for Oil and Gas Exports from the GCC Member Countries; Supply Responses to Price Changes in the Medium Term and the Definition of an 'Optimal' Price Band for Guaranteeing Energy Security in the Long Term; Discussion of the Desirable Rate of Exploitation of GCC Hydrocarbon Resources in the light of the Objectives of Maximizing Revenue and Achieving Economic Development in the Long Run; Promoting Economic Diversification as a Tool to Encourage Countries holding Major Hydrocarbon Reserves to Increase Production in line with Growing Global Demand at Stable Prices; Task 2 - Enhancing the Efficiency and Transparency of the International Oil Markets: The Reference Pricing System: Origins, Rationale, Assessment; Reforming Reference Pricing and Seeking for Alternative Pricing Systems; Strategic Stockpiles vs. Market Intervention for Price

  13. Eurogulf: an Eu-GCC dialogue for energy stability and sustainability. Final research report

    Energy Technology Data Exchange (ETDEWEB)

    Naji, Abi-Aad [ECONERGY, Washington (United States); Skinner, R.; Arnott, R.; Mabro, R. [Oxford Institute for Energy Studies - OIES (United States); Luciani, G.; Luciani, G. [EUI, RSCAS, Mediterranean Programme (Italy)

    2005-07-01

    The EUROGULF project was launched in 2002 by a consortium led by the Robert Schuman Centre for Advanced Studies at the European University Institute, and comprising the Oxford Institute of Energy Studies, the Energy Policy Unit of the National Technical University of Athens and ECONERGY SAL of Beirut. Funding is provided by the European Commission through a grant from the SYNERGY program. The objective of the project is to analyse European Union (EU) - Gulf Cooperation Council (GCC) relations with respect to oil and gas issues and propose new policy initiatives and approaches to enhance cooperation between the two regional groupings. The project has originated a collection of papers whose provisional drafts have been discussed in two workshops: in Riyadh in April 2004, and in Florence in November 2004. This document is the final research report presented at the concluding conference in Kuwait, on April 2005. It gathers the final versions of the project papers: Executive Summary and Policy Paper; Task 1 - Economic and Political Conditions for Energy Security: Prospects for Oil and Gas Exports from the GCC Member Countries; Prospects for Oil and Gas Exports from the GCC Member Countries; Supply Responses to Price Changes in the Medium Term and the Definition of an 'Optimal' Price Band for Guaranteeing Energy Security in the Long Term; Discussion of the Desirable Rate of Exploitation of GCC Hydrocarbon Resources in the light of the Objectives of Maximizing Revenue and Achieving Economic Development in the Long Run; Promoting Economic Diversification as a Tool to Encourage Countries holding Major Hydrocarbon Reserves to Increase Production in line with Growing Global Demand at Stable Prices; Task 2 - Enhancing the Efficiency and Transparency of the International Oil Markets: The Reference Pricing System: Origins, Rationale, Assessment; Reforming Reference Pricing and Seeking for Alternative Pricing Systems; Strategic Stockpiles vs. Market Intervention for

  14. Eurogulf: an Eu-GCC dialogue for energy stability and sustainability. Final research report

    Energy Technology Data Exchange (ETDEWEB)

    Naji, Abi-Aad [ECONERGY, Washington (United States); Skinner, R; Arnott, R; Mabro, R [Oxford Institute for Energy Studies - OIES (United States); Luciani, G; Luciani, G [EUI, RSCAS, Mediterranean Programme (Italy)

    2005-07-01

    The EUROGULF project was launched in 2002 by a consortium led by the Robert Schuman Centre for Advanced Studies at the European University Institute, and comprising the Oxford Institute of Energy Studies, the Energy Policy Unit of the National Technical University of Athens and ECONERGY SAL of Beirut. Funding is provided by the European Commission through a grant from the SYNERGY program. The objective of the project is to analyse European Union (EU) - Gulf Cooperation Council (GCC) relations with respect to oil and gas issues and propose new policy initiatives and approaches to enhance cooperation between the two regional groupings. The project has originated a collection of papers whose provisional drafts have been discussed in two workshops: in Riyadh in April 2004, and in Florence in November 2004. This document is the final research report presented at the concluding conference in Kuwait, on April 2005. It gathers the final versions of the project papers: Executive Summary and Policy Paper; Task 1 - Economic and Political Conditions for Energy Security: Prospects for Oil and Gas Exports from the GCC Member Countries; Prospects for Oil and Gas Exports from the GCC Member Countries; Supply Responses to Price Changes in the Medium Term and the Definition of an 'Optimal' Price Band for Guaranteeing Energy Security in the Long Term; Discussion of the Desirable Rate of Exploitation of GCC Hydrocarbon Resources in the light of the Objectives of Maximizing Revenue and Achieving Economic Development in the Long Run; Promoting Economic Diversification as a Tool to Encourage Countries holding Major Hydrocarbon Reserves to Increase Production in line with Growing Global Demand at Stable Prices; Task 2 - Enhancing the Efficiency and Transparency of the International Oil Markets: The Reference Pricing System: Origins, Rationale, Assessment; Reforming Reference Pricing and Seeking for Alternative Pricing Systems; Strategic Stockpiles vs. Market Intervention for Price

  15. Effect of nonlinear energy transport on neoclassical tearing mode stability in tokamak plasmas

    Science.gov (United States)

    Fitzpatrick, Richard

    2017-05-01

    An investigation is made into the effect of the reduction in anomalous perpendicular electron heat transport inside the separatrix of a magnetic island chain associated with a neoclassical tearing mode in a tokamak plasma, due to the flattening of the electron temperature profile in this region, on the overall stability of the mode. The onset of the neoclassical tearing mode is governed by the ratio of the divergences of the parallel and perpendicular electron heat fluxes in the vicinity of the island chain. By increasing the degree of transport reduction, the onset of the mode, as the divergence ratio is gradually increased, can be made more and more abrupt. Eventually, when the degree of transport reduction passes a certain critical value, the onset of the neoclassical tearing mode becomes discontinuous. In other words, when some critical value of the divergence ratio is reached, there is a sudden bifurcation to a branch of neoclassical tearing mode solutions. Moreover, once this bifurcation has been triggered, the divergence ratio must be reduced by a substantial factor to trigger the inverse bifurcation.

  16. Dark energy and equivalence principle constraints from astrophysical tests of the stability of the fine-structure constant

    International Nuclear Information System (INIS)

    Martins, C.J.A.P.; Pinho, A.M.M.; Alves, R.F.C.; Pino, M.; Rocha, C.I.S.A.; Wietersheim, M. von

    2015-01-01

    Astrophysical tests of the stability of fundamental couplings, such as the fine-structure constant α, are becoming an increasingly powerful probe of new physics. Here we discuss how these measurements, combined with local atomic clock tests and Type Ia supernova and Hubble parameter data, constrain the simplest class of dynamical dark energy models where the same degree of freedom is assumed to provide both the dark energy and (through a dimensionless coupling, ζ, to the electromagnetic sector) the α variation. Specifically, current data tightly constrains a combination of ζ and the present dark energy equation of state w 0 . Moreover, in these models the new degree of freedom inevitably couples to nucleons (through the α dependence of their masses) and leads to violations of the Weak Equivalence Principle. We obtain indirect bounds on the Eötvös parameter η that are typically stronger than the current direct ones. We discuss the model-dependence of our results and briefly comment on how the forthcoming generation of high-resolution ultra-stable spectrographs will enable significantly tighter constraints

  17. Dark energy and equivalence principle constraints from astrophysical tests of the stability of the fine-structure constant

    Energy Technology Data Exchange (ETDEWEB)

    Martins, C.J.A.P.; Pinho, A.M.M.; Alves, R.F.C. [Centro de Astrofísica da Universidade do Porto, Rua das Estrelas, 4150-762 Porto (Portugal); Pino, M. [Institut Domènech i Montaner, C/Maspujols 21-23, 43206 Reus (Spain); Rocha, C.I.S.A. [Externato Ribadouro, Rua de Santa Catarina 1346, 4000-447 Porto (Portugal); Wietersheim, M. von, E-mail: Carlos.Martins@astro.up.pt, E-mail: Ana.Pinho@astro.up.pt, E-mail: up201106579@fc.up.pt, E-mail: mpc_97@yahoo.com, E-mail: cisar97@hotmail.com, E-mail: maxivonw@gmail.com [Institut Manuel Sales i Ferré, Avinguda de les Escoles 6, 43550 Ulldecona (Spain)

    2015-08-01

    Astrophysical tests of the stability of fundamental couplings, such as the fine-structure constant α, are becoming an increasingly powerful probe of new physics. Here we discuss how these measurements, combined with local atomic clock tests and Type Ia supernova and Hubble parameter data, constrain the simplest class of dynamical dark energy models where the same degree of freedom is assumed to provide both the dark energy and (through a dimensionless coupling, ζ, to the electromagnetic sector) the α variation. Specifically, current data tightly constrains a combination of ζ and the present dark energy equation of state w{sub 0}. Moreover, in these models the new degree of freedom inevitably couples to nucleons (through the α dependence of their masses) and leads to violations of the Weak Equivalence Principle. We obtain indirect bounds on the Eötvös parameter η that are typically stronger than the current direct ones. We discuss the model-dependence of our results and briefly comment on how the forthcoming generation of high-resolution ultra-stable spectrographs will enable significantly tighter constraints.

  18. Free energy and stability of macromolecules studied by the double scanning simulation procedure

    International Nuclear Information System (INIS)

    Meirovitch, H.; Vasquez, M.; Scheraga, H.A.

    1990-01-01

    The double scanning method (DSM) is a computer simulation technique suggested recently by Meirovitch [J. Chem. Phys. 89, 2514 (1988)]. This method is a variant of the usual or ''single'' scanning method (SSM) of the same author, which was extended by us to polypeptides [Biopolymers 27, 1189 (1988); this paper is designated here as paper II]. The two methods are step-by-step construction procedures from which the entropy and the free energy can be estimated. The transition probabilities are obtained by scanning the so-called ''future'' chains, which are continuations of the chain in future steps up to a maximum of b steps. With the SSM, the process is carried out by exact enumeration of the future chains; this is time consuming, and therefore b is limited to small values. With the DSM, on the other hand, only a relatively small sample of the future chains is generated by applying an additional scanning procedure. This enables one to increase b at the expense of approximating the transition probabilities. Increasing of b, however, is important in order to treat medium- and long-range interactions more properly. In this paper (as in our paper II), we apply the DSM to a model of decaglycine without solvent, described by the potential energy function ECEPP at 100 and 300 K. Using the SSM with the maximal value, b=4, we found in paper II that, at 100 K, the α helix rather than the statistical coil is the most stable state. The present DSM simulation at T=100 K (based on b=5) is more efficient than the SSM, and a structure with significantly lower energy than that of the α helix is found. It is argued that b can be increased further to 7 at this temperature. At 300 K the DSM, like the SSM, shows that the statistical coil is the most stable state of decaglycine. However, the DSM is found to be less efficient than the SSM

  19. Identifying stabilizing key residues in proteins using interresidue interaction energy matrix

    Czech Academy of Sciences Publication Activity Database

    Biedermannová, Lada; Hobza, Pavel; Vondrášek, Jiří

    2008-01-01

    Roč. 72, č. 1 (2008), s. 402-413 ISSN 0887-3585 R&D Projects: GA ČR GA203/05/0009; GA ČR GA203/06/1727; GA ČR(CZ) GD203/05/H001; GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : protein stabilisation * an-initio calculation * interaction energy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.419, year: 2008

  20. Production of nuclei far from the beta stability line using intermediate-energy heavy ions

    International Nuclear Information System (INIS)

    Guerreau, D.

    1986-05-01

    The production of far unstable nuclei using heavy ion accelerators in the intermediate energy domain is reviewed. The various mechanisms responsible for the production of exotic species, mainly the projectile fragmentation and transfer reactions, are discussed, and the first experimental results presented. Results can be summarized as follows: existence of 4 new isotopes 22 C, 23 N, 29 Ne, 30 Ne; indication of bound character of 71 Ni, 72 Ni; clear evidence for bound character of 23 Si, 27 S, 31 Ar, 35 Ca; indications of bound character of 43 V, 46 Mn, 47 Mn, 48 Fe, 50 Co, 52 Co, 52 Ni, 55 Cu, 56 Cu

  1. Use of polyethylene glycol for the improvement of the cycling stability of bischofite as thermal energy storage material

    International Nuclear Information System (INIS)

    Gutierrez, Andrea; Ushak, Svetlana; Galleguillos, Hector; Fernandez, Angel; Cabeza, Luisa F.; Grágeda, Mario

    2015-01-01

    Highlights: • Bischofite as phase change material for TES is studied. • Thermophysical properties of bischofite mixtures with PEG were determined. • The aim was to improve the cycling stability of bischofite. • The heating and cooling during 30 cycles were measured. • The most stable sample was bischofite + 5% PEG 2 000. - Abstract: Bischofite is a by-product of the non-metallic mining industry. It has been evaluated as phase change material in thermal energy storage, but it shows little cycling stability, therefore in this paper the mixture of bischofite with an additive was studied. Since polyethylene glycol (PEG) is a PCM itself, in this paper PEG (with different molecular weights) is used as additive in a PCM (bischofite) to improve its thermal behaviour. Results show that adding 5% PEG 2 000 to bischofite gives a more cycling stable PCM without affecting its melting temperature neither decreasing significantly its heat of fusion. This research shows that mixing an inorganic PCM with an organic additive can be a good option to improve the thermal performance of the PCM

  2. Structural stability of coplanar 1T-2H superlattice MoS2 under high energy electron beam

    Science.gov (United States)

    Reshmi, S.; Akshaya, M. V.; Satpati, Biswarup; Basu, Palash Kumar; Bhattacharjee, K.

    2018-05-01

    Coplanar heterojunctions composed of van der Waals layered materials with different structural polymorphs have drawn immense interest recently due to low contact resistance and high carrier injection rate owing to low Schottky barrier height. Present research has largely focused on efficient exfoliation of these layered materials and their restacking to achieve better performances. We present here a microwave assisted easy, fast and efficient route to induce high concentration of metallic 1T phase in the original 2H matrix of exfoliated MoS2 layers and thus facilitating the formation of a 1T-2H coplanar superlattice phase. High resolution transmission electron microscopy (HRTEM) investigations reveal formation of highly crystalline 1T-2H hybridized structure with sharp interface and disclose the evidence of surface ripplocations within the same exfoliated layer of MoS2. In this work, the structural stability of 1T-2H superlattice phase during HRTEM measurements under an electron beam of energy 300 keV is reported. This structural stability could be either associated to the change in electronic configuration due to induction of the restacked hybridized phase with 1T- and 2H-regions or to the formation of the surface ripplocations. Surface ripplocations can act as an additional source of scattering centers to the electron beam and also it is possible that a pulse train of propagating ripplocations can sweep out the defects via interaction from specific areas of MoS2 sheets.

  3. The effect of impurity level on ultrafine-grained microstructures and their stability in low stacking fault energy silver

    International Nuclear Information System (INIS)

    Hegedus, Zoltan; Gubicza, Jeno; Kawasaki, Megumi; Chinh, Nguyen Q.; Fogarassy, Zsolt; Langdon, Terence G.

    2011-01-01

    Highlights: → Effect of impurity content on microstructure in ECAP-processed silver was studied. → There is a lower degree of twinning in the less pure material for high strains. → The samples processed for 4-16 passes showed self-annealing during storage at RT. → Small increase of impurity level resulted in a much better stability at RT. - Abstract: The effect of impurity content on the evolution of microstructure in low stacking fault energy silver processed by severe plastic deformation (SPD) was studied. The SPD-processing was carried out on 4N5 and 4N purity Ag samples by equal-channel angular pressing (ECAP) up to 16 passes. It was found that, although the minimum grain size and the maximum dislocation density were not affected by the different impurity atom content, there is a lower degree of twinning in the less pure material for high number of passes. The small increase of impurity level from 4N5 to 4N in Ag resulted in a significantly better thermal stability at room temperature for the ultrafine-grained microstructures obtained by ECAP.

  4. Continuous Steering Stability Control Based on an Energy-Saving Torque Distribution Algorithm for a Four in-Wheel-Motor Independent-Drive Electric Vehicle

    Directory of Open Access Journals (Sweden)

    Li Zhai

    2018-02-01

    Full Text Available In this paper, a continuous steering stability controller based on an energy-saving torque distribution algorithm is proposed for a four in-wheel-motor independent-drive electric vehicle (4MIDEV to improve the energy consumption efficiency while maintaining the stability in steering maneuvers. The controller is designed as a hierarchical structure, including the reference model level, the upper-level controller, and the lower-level controller. The upper-level controller adopts the direct yaw moment control (DYC, which is designed to work continuously during the steering maneuver to better ensure steering stability in extreme situations, rather than working only after the vehicle is judged to be unstable. An adaptive two-hierarchy energy-saving torque distribution algorithm is developed in the lower-level controller with the friction ellipse constraint as a basis for judging whether the algorithm needs to be switched, so as to achieve a more stable and energy-efficient steering operation. The proposed stability controller was validated in a co-simulation of CarSim and Matlab/Simulink. The simulation results under different steering maneuvers indicate that the proposed controller, compared with the conventional servo controller and the ordinary continuous controller, can reduce energy consumption up to 23.68% and improve the vehicle steering stability.

  5. Very low pressure plasma sprayed yttria-stabilized zirconia coating using a low-energy plasma gun

    International Nuclear Information System (INIS)

    Zhu, Lin; Zhang, Nannan; Bolot, Rodolphe; Planche, Marie-Pierre; Liao, Hanlin; Coddet, Christian

    2011-01-01

    In the present study, a more economical low-energy plasma source was used to perform a very low pressure plasma-spray (VLPPS) process. The plasma-jet properties were analyzed by means of optical emission spectroscopy (OES). Moreover, yttria-stabilized zirconia coating (YSZ) was elaborated by a F100 low-power plasma gun under working pressure of 1 mbar, and the substrate specimens were partially shadowed by a baffle-plate during plasma spraying for obtaining different coating microstructures. Based on the SEM observation, a column-like grain coating was deposited by pure vapor deposition at the shadowed region, whereas, in the unshadowed region, the coating exhibited a binary microstructure which was formed by a mixed deposition of melted particles and evaporated particles. The mechanical properties of the coating were also well under investigation. (orig.)

  6. RADIATION PRESSURE-SUPPORTED ACCRETION DISKS: VERTICAL STRUCTURE, ENERGY ADVECTION, AND CONVECTIVE STABILITY

    International Nuclear Information System (INIS)

    Gu Weimin

    2012-01-01

    By taking into account the local energy balance per unit volume between the viscous heating and the advective cooling plus the radiative cooling, we investigate the vertical structure of radiation pressure-supported accretion disks in spherical coordinates. Our solutions show that the photosphere of the disk is close to the polar axis and therefore the disk seems to be extremely thick. However, the density profile implies that most of the accreted matter exists in a moderate range around the equatorial plane. We show that the well-known polytropic relation between the pressure and the density is unsuitable for describing the vertical structure of radiation pressure-supported disks. More importantly, we find that the energy advection is significant even for slightly sub-Eddington accretion disks. We argue that the non-negligible advection may help us understand why the standard thin disk model is likely to be inaccurate above ∼0.3 Eddington luminosity, which was found by some works on black hole spin measurement. Furthermore, the solutions satisfy the Solberg-Høiland conditions, which indicate the disk to be convectively stable. In addition, we discuss the possible link between our disk model and ultraluminous X-ray sources.

  7. Effects of low energy radiations on the stability of red palm oil

    International Nuclear Information System (INIS)

    Dzulkefly, K.; Zarida, Z.; Hamdan, S.

    1999-01-01

    Red palm oil (R-PO) is a new generation of cooking oil in which the carotenes are retained in the refined oil. In this study, the oxidative effects of low energy radiations (sunlight and ultra-violet radiation) on RPO were investigated. The red palm oil was exposed to sunlight and ultra-violet (UV) radiation for various time intervals. The concentrations of carotene, peroxide value (PV), conjugated diene value (CD) and free fatty acid (FFA) content were measured. The irradiation was also performed in the presence of antioxidant butylated hydroxytoluene (BHT). Results showed that carotene contents were significantly reduced as the irradiation doses increase. The destruction of carotenes were 23.9 % and 24.1 % respectively under sunlight and UV radiation after 5 hours exposure. Measurements of PV, CD and FFA have indicated that both UV and sunlight radiations caused deterioration of red palm oil. In the presence of antioxidant, the extent of deterioration of RPO and the destruction of carotene were suppressed. This study has shown that the natural antioxidant (carotenes and tocopherols) did not give complete protection to RPO against oxidative deterioration induced by low energy radiations. Additional antioxidant (BHT) was needed to suppress the oxidative deterioration of RPO. (Author)

  8. Radiation stability of nanocrystalline ZrN coatings irradiated with high energy Xe and Bi ions

    International Nuclear Information System (INIS)

    Skuratov, V.A.; Sokhatsky, A.S.; Uglov, V.V.; Zlotski, S.V.; Van Vuuren, A.J.; Neethling, Jan; O'Connell, J.

    2011-01-01

    Swift Xe and Bi ion irradiation effects in nanocrystalline ZrN coatings as a function of ion fluence are reported. Zirconium nitride films of different thickness (0.1, 3, 10 and 20 micrometers) synthesized by vacuum arc-vapour deposition in nanocrystalline state (average size of crystallites is ∼4 nm) were irradiated with 167 MeV Xe and 695 MeV Bi ions to fluences in the range 3x10 12 ÷2.6x10 15 cm -2 (Xe) and 10 12 x10 13 cm -2 (Bi) and studied using XRD and TEM techniques. No evidence of amorphization due to high level ionizing energy losses has been found. The measurements of lattice parameter have revealed nonmonotonic dependence of the stress level in irradiated samples on ion fluence. (authors)

  9. Nuclei far from stability. Individual and collective excitations at low energy

    International Nuclear Information System (INIS)

    Meyer, M.

    1984-01-01

    The low energy structure of exotic nuclei is discussed in terms of self-consistent microscopic models. The experimental striking features of the spectroscopy of these nuclei are briefly surveyed and the schematic steps performed to obtain from effective N-N interactions their spectroscopic properties are presented. Their saturation and deformation properties are given by the Hartree-Fock approximation (HF). Then it is shown how to describe the dynamics of even-even exotic nuclei excited states by solving the complete Bohr Hamiltonian, built microscopically using the HF approximation and the adiabatic limit (and its derivatives) of the time-dependent HF approximation (ATDHF). The structure of odd and doubly odd nuclei is discussed in the framework of the unified model, ie the microscopic rotor + quasiparticles model. Finally possible future directions of experimental research concerning exotic nuclei are described and improvements or new theoretical approaches discussed [fr

  10. Colossal magnetoresistance manganites

    Indian Academy of Sciences (India)

    Keywords. Manganites; colossal magnetoresistance; strongly correlated electron systems; metal-insulator transitions and other electronic transitions; Jahn-Teller polarons and electron-phonon interaction.

  11. Testing of High Thermal Cycling Stability of Low Strength Concrete as a Thermal Energy Storage Material

    Directory of Open Access Journals (Sweden)

    Chao Wu

    2016-09-01

    Full Text Available Concrete has the potential to become a solution for thermal energy storage (TES integrated in concentrating solar power (CSP systems due to its good thermal and mechanical properties and low cost of material. In this study, a low strength concrete (C20 is tested at high temperatures up to 600 °C. Specimens are thermally cycled at temperatures in the range of 400–300 °C, 500–300 °C, and 600–300 °C, which TES can reach in operation. For comparison, specimens also cycled at temperature in the range of 400–25 °C (room temperature, 500–25 °C, and 600–25 °C. It is found from the test results that cracks are not observed on the surfaces of concrete specimens until the temperature is elevated up to 500 °C. There is mechanical deterioration of concrete after exposure to high temperature, especially to high thermal cycles. The residual compressive strength of concrete after 10 thermal cycles between 600 °C and 300 °C is about 58.3%, but the specimens remain stable without spalling, indicating possible use of low strength concrete as a TES material.

  12. Assessing the stability of free-energy perturbation calculations by performing variations in the method

    Science.gov (United States)

    Manzoni, Francesco; Ryde, Ulf

    2018-03-01

    We have calculated relative binding affinities for eight tetrafluorophenyl-triazole-thiogalactoside inhibitors of galectin-3 with the alchemical free-energy perturbation approach. We obtain a mean absolute deviation from experimental estimates of only 2-3 kJ/mol and a correlation coefficient (R 2) of 0.5-0.8 for seven relative affinities spanning a range of up to 11 kJ/mol. We also studied the effect of using different methods to calculate the charges of the inhibitor and different sizes of the perturbed group (the atoms that are described by soft-core potentials and are allowed to have differing coordinates). However, the various approaches gave rather similar results and it is not possible to point out one approach as consistently and significantly better than the others. Instead, we suggest that such small and reasonable variations in the computational method can be used to check how stable the calculated results are and to obtain a more accurate estimate of the uncertainty than if performing only one calculation with a single computational setup.

  13. Lattice stability and formation energies of intrinsic defects in Mg2Si and Mg2Ge via first principles simulations

    International Nuclear Information System (INIS)

    Jund, Philippe; Viennois, Romain; Tédenac, Jean-Claude; Colinet, Catherine; Hug, Gilles; Fèvre, Mathieu

    2013-01-01

    We report an ab initio study of the semiconducting Mg 2 X (with X = Si, Ge) compounds and in particular we analyze the formation energies of the different point defects with the aim of understanding the intrinsic doping mechanisms. We find that the formation energy of Mg 2 Ge is 50% larger than that of Mg 2 Si, in agreement with the experimental tendency. From a study of the stability and the electronic properties of the most stable defects, taking into account the growth conditions, we show that the main cause of the n doping in these materials comes from interstitial magnesium defects. Conversely, since other defects acting like acceptors such as Mg vacancies or multivacancies are more stable in Mg 2 Ge than in Mg 2 Si, this explains why Mg 2 Ge can be of n or p type, in contrast to Mg 2 Si. The finding that the most stable defects are different in Mg 2 Si and Mg 2 Ge and depend on the growth conditions is important and must be taken into account in the search for the optimal doping to improve the thermoelectric properties of these materials.

  14. Vehicle-to-grid power implementation: From stabilizing the grid to supporting large-scale renewable energy

    Science.gov (United States)

    Kempton, Willett; Tomić, Jasna

    Vehicle-to-grid power (V2G) uses electric-drive vehicles (battery, fuel cell, or hybrid) to provide power for specific electric markets. This article examines the systems and processes needed to tap energy in vehicles and implement V2G. It quantitatively compares today's light vehicle fleet with the electric power system. The vehicle fleet has 20 times the power capacity, less than one-tenth the utilization, and one-tenth the capital cost per prime mover kW. Conversely, utility generators have 10-50 times longer operating life and lower operating costs per kWh. To tap V2G is to synergistically use these complementary strengths and to reconcile the complementary needs of the driver and grid manager. This article suggests strategies and business models for doing so, and the steps necessary for the implementation of V2G. After the initial high-value, V2G markets saturate and production costs drop, V2G can provide storage for renewable energy generation. Our calculations suggest that V2G could stabilize large-scale (one-half of US electricity) wind power with 3% of the fleet dedicated to regulation for wind, plus 8-38% of the fleet providing operating reserves or storage for wind. Jurisdictions more likely to take the lead in adopting V2G are identified.

  15. 25th Anniversary Article: Polymer-Particle Composites: Phase Stability and Applications in Electrochemical Energy Storage

    KAUST Repository

    Srivastava, Samanvaya

    2013-12-09

    Polymer-particle composites are used in virtually every field of technology. When the particles approach nanometer dimensions, large interfacial regions are created. In favorable situations, the spatial distribution of these interfaces can be controlled to create new hybrid materials with physical and transport properties inaccessible in their constituents or poorly prepared mixtures. This review surveys progress in the last decade in understanding phase behavior, structure, and properties of nanoparticle-polymer composites. The review takes a decidedly polymers perspective and explores how physical and chemical approaches may be employed to create hybrids with controlled distribution of particles. Applications are studied in two contexts of contemporary interest: battery electrolytes and electrodes. In the former, the role of dispersed and aggregated particles on ion-transport is considered. In the latter, the polymer is employed in such small quantities that it has been historically given titles such as binder and carbon precursor that underscore its perceived secondary role. Considering the myriad functions the binder plays in an electrode, it is surprising that highly filled composites have not received more attention. Opportunities in this and related areas are highlighted where recent advances in synthesis and polymer science are inspiring new approaches, and where newcomers to the field could make important contributions. Polymer-particle composites are used in virtually every field of technology. When the particles approach nanometer dimensions, large interfacial regions are created that can be exploited for applications. The fundamental approaches and bottom-up synthesis strategies for understanding and controlling nanoparticle dispersion in polymers are reviewed. Applications of these approaches for creating polymer-particle composite electrolytes and electrodes for energy storage are also considered. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. γ-Oryzanol nanoemulsions produced by a low-energy emulsification method: an evaluation of process parameters and physicochemical stability.

    Science.gov (United States)

    Zhong, Jinfeng; Liu, Xiong; Wang, Yonghua; Qin, Xiaoli; Li, Zeling

    2017-06-21

    γ-Oryzanol is a natural antioxidant and nutraceutical compound, which makes it a good candidate for nutraceuticals, food supplements and pharmaceutical preparations. However, the incorporation of γ-oryzanol into aqueous formulations is rather difficult and its bioavailability can be severely decreased because of its water-insoluble property. In this study, γ-oryzanol-enriched nanoemulsion based fish oil and medium-chain triglyceride as carrier oils were proposed. The main objective was to optimize process parameters to form stable nanoemulsions and evaluate their physicochemical stability. The formulations of stable γ-oryzanol nanoemulsions were composed of 10% mixed carrier oils (weight ratio of fish oil to medium-chain triglyceride = 3 : 7) and 10% mixed surfactants (weight ratio of Tween 80 to Span 20 = 3 : 1). The nanoemulsions were stable at a broad pH range of 2-7 and high salt concentrations (≤0.8 mol L -1 ) and sucrose levels (≤16%). The nanoemulsions were much more stable at heating temperatures below 50 °C than at elevated heating temperatures (60 and 70 °C). The nanoemulsions maintained their physical stability at various storage temperatures (5-37 °C) for 18 days. Nanoemulsions at 5 and 23 °C had lower peroxide values and anisidine values than those at an elevated storage temperature (37 °C). These results demonstrate that the low-energy emulsification method can produce γ-oryzanol-enriched nanoemulsions using fish oil and medium-chain triglyceride as carrier oils, and provide useful information for producing bioactive lipids-loaded nanoemulsions for food systems, personal care and pharmaceutical products.

  17. Stability issues of high-energy resolution diode type CdTe nuclear radiation detectors in a long-term operation

    CERN Document Server

    Niraula, M; Aoki, T; Tomita, Y; Hatanaka, Y

    2002-01-01

    High-energy resolution diode type CdTe detectors were fabricated by growing an n-type epitaxial layer on high resistivity p-like crystal wafers, and their stability issues during a long-term operation were studied. Room temperature stability of the detectors was not good at low operating biases of around 200 V. However, it could be improved significantly by operating them at higher biases under full depletion conditions. On the other hand, detectors exhibited excellent stability by cooling them slightly below room temperature down to 0 deg. C. The effect of this low level of cooling on detector stability was found to be more significant than that of applying high biases at room temperature. By using the detector type presented here, stable operation could be obtained at moderate operating voltages of around 400 V and with a modest degree of cooling.

  18. Thermoelectric Power and Normal State of the High - Tc Copper Oxides

    International Nuclear Information System (INIS)

    Goodenough, J.B.; Zhou, J.S.; Besuker, G.I.

    1995-01-01

    The temperature dependence of the thermoelectric power and resistance for the system La 2-x Sr x CuO 4 , 0≤ x ≤0.30, are presented and interpreted. The following model emerges: (1) In the underdoped region 0 2 sheets by Sr substitution form non-adiabatic large polarons containing 6 ± 1 Cu atoms; a cooperative pseudo Jahn-Teller vibronic coupling increases the size of the polaron, but a contraction of the equilibrium Cu-O distance inside the polaron limits the size. Polaron motion occurs via a tunneling of one Cu - O bond at a time. A dynamic segregation into a hole-poor parent phase and a hole-rich superconductive phase occurs below 150K. (2) The range 0.10 2 sheet. In the polaron liquid, pairs of polarons form zig-zag polaron chains; these chains form an ordered array of alternating polaron and parent-phase stripes. Complete ordering of the stripes occurs below Tc. (4) In the overdoped region x>0.27, polaron overcrowding suppresses polaron formation; however, the vibronic coupling stabilized by the dynamic pseudo Jahn -Teller deformations persists to give unusual properties to the overdoped metallic phase. (author)

  19. Study of the motion of electrons in non polar classical liquids. Measurement of Hall effect and f.i.r. search for low energy traps. Progress report

    International Nuclear Information System (INIS)

    1981-01-01

    Progress is reported on experiments aimed at the measurement of the Hall mobility of injected electrons in classical non polar insulating liquids and the optical absorption associated with electrons captured by shallow traps in the liquefied rare gases. Theoretical work aimed at a better understanding of the trapping kinetics of electrons by SF 6 and O 2 dissolved in rare gas liquids was also carried out. Its conclusion is that the electric field dependence of the trapping probability can be explained, basically without adjustable parameters, by considering the Poole-Frenkel-Schotky ionization of the excited state of the traps. From the analysis of published data on the motion of electrons in liquid ethane it is tentatively concluded that at low temperatures the trapping of electrons in the liquid involves a Jahn-Teller like distortion of a single ethane molecule while at higher temperatures it is necessary to consider a small molecular cluster, possibly made up of 2 molecules

  20. Phenotypic Stability of Energy Balance Responses to Experimental Total Sleep Deprivation and Sleep Restriction in Healthy Adults

    Directory of Open Access Journals (Sweden)

    Laura E. Dennis

    2016-12-01

    Full Text Available Experimental studies have shown that sleep restriction (SR and total sleep deprivation (TSD produce increased caloric intake, greater fat consumption, and increased late-night eating. However, whether individuals show similar energy intake responses to both SR and TSD remains unknown. A total of N = 66 healthy adults (aged 21–50 years, 48.5% women, 72.7% African American participated in a within-subjects laboratory protocol to compare daily and late-night intake between one night of SR (4 h time in bed, 04:00–08:00 and one night of TSD (0 h time in bed conditions. We also examined intake responses during subsequent recovery from SR or TSD and investigated gender differences. Caloric and macronutrient intake during the day following SR and TSD were moderately to substantially consistent within individuals (Intraclass Correlation Coefficients: 0.34–0.75. During the late-night period of SR (22:00–04:00 and TSD (22:00–06:00, such consistency was slight to moderate, and participants consumed a greater percentage of calories from protein (p = 0.01 and saturated fat (p = 0.02 during SR, despite comparable caloric intake (p = 0.12. Similarly, participants consumed a greater percentage of calories from saturated fat during the day following SR than TSD (p = 0.03. Participants also consumed a greater percentage of calories from protein during recovery after TSD (p < 0.001. Caloric intake was greater in men during late-night hours and the day following sleep loss. This is the first evidence of phenotypic trait-like stability and differential vulnerability of energy balance responses to two commonly experienced types of sleep loss: our findings open the door for biomarker discovery and countermeasure development to predict and mitigate this critical health-related vulnerability.

  1. Phenotypic Stability of Energy Balance Responses to Experimental Total Sleep Deprivation and Sleep Restriction in Healthy Adults.

    Science.gov (United States)

    Dennis, Laura E; Spaeth, Andrea M; Goel, Namni

    2016-12-19

    Experimental studies have shown that sleep restriction (SR) and total sleep deprivation (TSD) produce increased caloric intake, greater fat consumption, and increased late-night eating. However, whether individuals show similar energy intake responses to both SR and TSD remains unknown. A total of N = 66 healthy adults (aged 21-50 years, 48.5% women, 72.7% African American) participated in a within-subjects laboratory protocol to compare daily and late-night intake between one night of SR (4 h time in bed, 04:00-08:00) and one night of TSD (0 h time in bed) conditions. We also examined intake responses during subsequent recovery from SR or TSD and investigated gender differences. Caloric and macronutrient intake during the day following SR and TSD were moderately to substantially consistent within individuals (Intraclass Correlation Coefficients: 0.34-0.75). During the late-night period of SR (22:00-04:00) and TSD (22:00-06:00), such consistency was slight to moderate, and participants consumed a greater percentage of calories from protein ( p = 0.01) and saturated fat ( p = 0.02) during SR, despite comparable caloric intake ( p = 0.12). Similarly, participants consumed a greater percentage of calories from saturated fat during the day following SR than TSD ( p = 0.03). Participants also consumed a greater percentage of calories from protein during recovery after TSD ( p sleep loss. This is the first evidence of phenotypic trait-like stability and differential vulnerability of energy balance responses to two commonly experienced types of sleep loss: our findings open the door for biomarker discovery and countermeasure development to predict and mitigate this critical health-related vulnerability.

  2. Resolution, efficiency and stability of HPGe detector operating in a magnetic field at various gamma-ray energies

    International Nuclear Information System (INIS)

    Szymanska, K.; Achenbach, P.; Agnello, M.; Botta, E.; Bracco, A.; Bressani, T.; Camera, F.; Cederwall, B.; Feliciello, A.; Ferro, F.; Gerl, J.; Iazzi, F.; Kavatsyuk, M.; Kojouharov, I.; Pochodzalla, J.; Raciti, G.; Saito, T.R.; Sanchez Lorente, A.; Tegner, P.-E.; Wieland, O.

    2008-01-01

    The use of High Purity Germanium detectors (HPGe) has been planned in some future experiments of hadronic physics. The crystals will be located close to large spectrometers where the magnetic fringing field will not be negligible and their performances might change. Moreover high precision is required in these experiments. The contribution of magnetic field presence and long term measurements is unique. In this paper the results of systematic measurements of the resolution, stability and efficiency of a crystal operating inside a magnetic field of 0.8 T, using radioactive sources in the energy range from 0.08 to 1.33 MeV, are reported. The measurements have been repeated during several months in order to test if any permanent damage occurred. The resolution at 1.117 and 1.332 MeV gamma-rays from a 60 Co source has been measured at different magnetic fields in the range of 0-0.8 T and the results are compared with the previous data

  3. On the nature of the phase transition in uranium dioxide

    Science.gov (United States)

    Gofryk, K.; Mast, D.; Antonio, D.; Shrestha, K.; Andersson, D.; Stanek, C.; Jaime, M.

    Uranium dioxide (UO2) is by far the most studied actinide material as it is a primary fuel used in light water nuclear reactors. Its thermal and magnetic properties remain, however, a puzzle resulting from strong couplings between magnetism and lattice vibrations. UO2 crystalizes in the face-centered-cubic fluorite structure and is a Mott-Hubbard insulator with well-localized uranium 5 f-electrons. In addition, below 30 K, a long range antiferromagnetic ordering of the electric-quadrupole of the uranium moments is observed, forming complex non-collinear 3-k magnetic structure. This transition is accompanied by Jahn-Teller distortion of oxygen atoms. It is believed that the first order nature of the transition results from the competition between the exchange interaction and the Jahn-Teller distortion. Here we present results of our extensive thermodynamic investigations on well-characterized and oriented single crystals of UO2+x (x = 0, 0.033, 0.04, and 0.11). By focusing on the transition region under applied magnetic field we are able to study the interplay between different competing interactions (structural, magnetic, and electrical), its dynamics, and relationship to the oxygen content. We will discuss implications of these results. Work supported by the Department of Energy, Office of Basic Energy Sciences, Materials Sciences, and Engineering Division.

  4. Tensile Strain Effects on the Magneto-transport in Calcium Manganese Oxide Thin Films: Comparison with its Hole-doped Counterpart

    Science.gov (United States)

    Lawson, Bridget; Neubauer, Samuel; Chaudhry, Adeel; Hart, Cacie; Ferrone, Natalie; Houston, David; Yong, Grace; Kolagani, Rajeswari

    Magnetoresistance properties of the epitaxial thin films of doped rare earth manganites are known to be influenced by the effect of bi-axial strain induced by lattice mismatch with the substrate. In hole-doped manganites, the effect of both compressive and tensile strain is qualitatively consistent with the expected changes in unit cell symmetry from cubic to tetragonal, leading to Jahn-Teller strain fields that affect the energy levels of Mn3 + energy levels. Recent work in our laboratory on CaMnO3 thin films has pointed out that tetragonal distortions introduced by tensile lattice mismatch strain may also have the effect of modulating the oxygen content of the films in agreement with theoretical models that propose such coupling between strain and oxygen content. Our research focuses on comparing the magneto-transport properties of hole-doped manganite LaCaMnO3 thin films with that of its electron doped counter parts, in an effort to delineate the effects of oxygen stoichiometry changes on magneto-transport from the effects of Jahn-Teller type strain. Towson University Office of Undergraduate Research, Fisher Endowment Grant and Undergraduate Research Grant from the Fisher College of Science and Mathematics, Seed Funding Grant from the School of Emerging technologies and the NSF Grant ECCS 112856.

  5. Medium-Term Stability of the Photon Beam Energy of An Elekta CompactTM Linear Accelerator Based on Daily Measurements of Beam Quality Factor

    Directory of Open Access Journals (Sweden)

    Mohammad Amin Mosleh-Shirazi

    2016-04-01

    Full Text Available Introduction In this study, we aimed to assess the medium-term energy stability of a 6MV Elekta CompactTM linear accelerator. To the best of our knowledge, this is the first published article to evaluate this linear accelerator in terms of energy stability. As well as investigating the stability of the linear accelerator energy over a period of several weeks, the results will be useful for estimation of the required tolerance values for the beam quality factor (BQF of the PTW QUICKCHECK weblineTM (QCW daily checking device. Materials and Methods Over a 13 week period of routine clinical service, 52 daily readings of BQF were taken and then analyzed for a 10×10 cm2 field. Results No decreasing or increasing trend in BQF was observed over the study period. The mean BQF value was estimated at 5.4483 with a standard deviation (SD of 0.0459 (0.8%. The mean value was only 0.1% different from the baseline value. Conclusion The results of this medium-term stability study of the Elekta Compact linear accelerator energy showed that 96.2% of the observed BQF values were within ±1.3% of the baseline value. This can be considered to be within the recommended tolerance for linear accelerator photon beam energy. If an approach of applying ±3 SD is taken, the tolerance level for BQF may be suggested to be set at ±2.5%. However, further research is required to establish a relationship between BQF value and the actual changes in beam energy and penetrative quality.

  6. Vibronic coupling in ionized organic molecules: structural distortions and chemical reactions

    International Nuclear Information System (INIS)

    Williams, Ffrancon

    2003-01-01

    Ionized organic molecules (radical cations) in radiation chemistry are liable to undergo vibronic coupling whenever there is a relatively small energy gap (∼0.5-1.5 eV) between their ground and excited states. As a result of this mixing, the force constant for the symmetry-allowed vibrational mode that couples these states is lowered in the ground state of the radical cation so that deformation can take place more easily along this specific mode. This pseudo-Jahn-Teller effect can then result in a permanent structural distortion of the radical cation relative to the symmetry of the parent neutral molecule. It can also bring about an energetically favored pathway for a facile chemical rearrangement along a reaction coordinate defined by the coupling mode. Examples taken from matrix-isolation studies are used to illustrate these dramatic consequences of vibronic coupling in radical cations. Thus, the bicyclo[2.2.2]oct-2-ene and tetramethylurea radical cations are found to have twisted structures departing from the C 2v symmetry of their parent molecules, while the oxirane and bicyclo[1.1.1]pentane radical cations undergo ring-opening rearrangements along reaction coordinates that correspond to the deformational modes predicted by the pseudo-Jahn-Teller effect

  7. Ultrasonic study of the charge mismatch effect in charge-ordered (Nd{sub 0.75}Na{sub 0.25}){sub x}(Nd{sub 0.5}Ca{sub 0.5}){sub 1-x}MnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Jiang Liang; Su Jinrui; Kong Hui; Liu Yi; Zheng Shiyuan; Zhu Changfei [Laboratory of Advanced Functional Materials and Devices, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China)

    2006-09-20

    The resistivity, magnetization and ultrasonic properties of charge-ordered polycrystalline (Nd{sub 0.75}Na{sub 0.25}){sub x}(Nd{sub 0.5}Ca{sub 0.5}){sub 1-x}MnO{sub 3} have been investigated from 50 to 300 K. A considerable velocity softening accompanied by an attenuation peak was observed around the charge-ordering transition temperature (T{sub CO}) upon cooling. The simultaneous occurrence of the charge ordering (CO) and the ultrasonic anomaly implies strong electron-phonon coupling, which originates from the cooperative Jahn-Teller effect. At very low temperature, another broad attenuation peak was observed, which is attributed to the phase separation (PS) and gives a direct evidence of spin-phonon coupling in the compound. With increasing x, T{sub CO} shifts to lower temperature, the magnetization of the system is strengthened and the PS is enhanced. The temperature dependence of the longitudinal modulus shows that the Jahn-Teller coupling energy E{sub JT} decreases with increasing Na content. The analysis suggests that the charge mismatch effect may be the main reason for the suppression of the CO and enhancement of the PS.

  8. A compact sub-Kelvin ultrahigh vacuum scanning tunneling microscope with high energy resolution and high stability.

    Science.gov (United States)

    Zhang, L; Miyamachi, T; Tomanić, T; Dehm, R; Wulfhekel, W

    2011-10-01

    We designed a scanning tunneling microscope working at sub-Kelvin temperatures in ultrahigh vacuum (UHV) in order to study the magnetic properties on the nanoscale. An entirely homebuilt three-stage cryostat is used to cool down the microscope head. The first stage is cooled with liquid nitrogen, the second stage with liquid (4)He. The third stage uses a closed-cycle Joule-Thomson refrigerator of a cooling power of 1 mW. A base temperature of 930 mK at the microscope head was achieved using expansion of (4)He, which can be reduced to ≈400 mK when using (3)He. The cryostat has a low liquid helium consumption of only 38 ml/h and standing times of up to 280 h. The fast cooling down of the samples (3 h) guarantees high sample throughput. Test experiments with a superconducting tip show a high energy resolution of 0.3 meV when performing scanning tunneling spectroscopy. The vertical stability of the tunnel junction is well below 1 pm (peak to peak) and the electric noise floor of tunneling current is about 6fA/√Hz. Atomic resolution with a tunneling current of 1 pA and 1 mV was achieved on Au(111). The lateral drift of the microscope at stable temperature is below 20 pm/h. A superconducting spilt-coil magnet allows to apply an out-of-plane magnetic field of up to 3 T at the sample surface. The flux vortices of a Nb(110) sample were clearly resolved in a map of differential conductance at 1.1 K and a magnetic field of 0.21 T. The setup is designed for in situ preparation of tip and samples under UHV condition.

  9. Characterizing Excavation Damaged Zone and Stability of Pressurized Lined Rock Caverns for Underground Compressed Air Energy Storage

    Science.gov (United States)

    Kim, Hyung-Mok; Rutqvist, Jonny; Jeong, Ju-Hwan; Choi, Byung-Hee; Ryu, Dong-Woo; Song, Won-Kyong

    2013-09-01

    In this paper, we investigate the influence of the excavation damaged zone (EDZ) on the geomechanical performance of compressed air energy storage (CAES) in lined rock caverns. We conducted a detailed characterization of the EDZ in rock caverns that have been excavated for a Korean pilot test program on CAES in (concrete) lined rock caverns at shallow depth. The EDZ was characterized by measurements of P- and S-wave velocities and permeability across the EDZ and into undisturbed host rock. Moreover, we constructed an in situ concrete lining model and conducted permeability measurements in boreholes penetrating the concrete, through the EDZ and into the undisturbed host rock. Using the site-specific conditions and the results of the EDZ characterization, we carried out a model simulation to investigate the influence of the EDZ on the CAES performance, in particular related to geomechanical responses and stability. We used a modeling approach including coupled thermodynamic multiphase flow and geomechanics, which was proven to be useful in previous generic CAES studies. Our modeling results showed that the potential for inducing tensile fractures and air leakage through the concrete lining could be substantially reduced if the EDZ around the cavern could be minimized. Moreover, the results showed that the most favorable design for reducing the potential for tensile failure in the lining would be a relatively compliant concrete lining with a tight inner seal, and a relatively stiff (uncompliant) host rock with a minimized EDZ. Because EDZ compliance depends on its compressibility (or modulus) and thickness, care should be taken during drill and blast operations to minimize the damage to the cavern walls.

  10. 1D Ni-Co oxide and sulfide nanoarray/carbon aerogel hybrid nanostructures for asymmetric supercapacitors with high energy density and excellent cycling stability.

    Science.gov (United States)

    Hao, Pin; Tian, Jian; Sang, Yuanhua; Tuan, Chia-Chi; Cui, Guanwei; Shi, Xifeng; Wong, C P; Tang, Bo; Liu, Hong

    2016-09-15

    The fabrication of supercapacitor electrodes with high energy density and excellent cycling stability is still a great challenge. A carbon aerogel, possessing a hierarchical porous structure, high specific surface area and electrical conductivity, is an ideal backbone to support transition metal oxides and bring hope to prepare electrodes with high energy density and excellent cycling stability. Therefore, NiCo 2 S 4 nanotube array/carbon aerogel and NiCo 2 O 4 nanoneedle array/carbon aerogel hybrid supercapacitor electrode materials were synthesized by assembling Ni-Co precursor needle arrays on the surface of the channel walls of hierarchical porous carbon aerogels derived from chitosan in this study. The 1D nanostructures grow on the channel surface of the carbon aerogel vertically and tightly, contributing to the enhanced electrochemical performance with ultrahigh energy density. The energy density of NiCo 2 S 4 nanotube array/carbon aerogel and NiCo 2 O 4 nanoneedle array/carbon aerogel hybrid asymmetric supercapacitors can reach up to 55.3 Wh kg -1 and 47.5 Wh kg -1 at a power density of 400 W kg -1 , respectively. These asymmetric devices also displayed excellent cycling stability with a capacitance retention of about 96.6% and 92% over 5000 cycles.

  11. ESTABLISHING SUSTAINABLE US HEV/PHEV MANUFACTURING BASE: STABILIZED LITHIUM METAL POWDER, ENABLING MATERIAL AND REVOLUTIONARY TECHNOLOGY FOR HIGH ENERGY LI-ION BATTERIES

    Energy Technology Data Exchange (ETDEWEB)

    Yakovleva, Marina

    2012-12-31

    FMC Lithium Division has successfully completed the project “Establishing Sustainable US PHEV/EV Manufacturing Base: Stabilized Lithium Metal Powder, Enabling Material and Revolutionary Technology for High Energy Li-ion Batteries”. The project included design, acquisition and process development for the production scale units to 1) produce stabilized lithium dispersions in oil medium, 2) to produce dry stabilized lithium metal powders, 3) to evaluate, design and acquire pilot-scale unit for alternative production technology to further decrease the cost, and 4) to demonstrate concepts for integrating SLMP technology into the Li- ion batteries to increase energy density. It is very difficult to satisfy safety, cost and performance requirements for the PHEV and EV applications. As the initial step in SLMP Technology introduction, industry can use commercially available LiMn2O4 or LiFePO4, for example, that are the only proven safer and cheaper lithium providing cathodes available on the market. Unfortunately, these cathodes alone are inferior to the energy density of the conventional LiCoO2 cathode and, even when paired with the advanced anode materials, such as silicon composite material, the resulting cell will still not meet the energy density requirements. We have demonstrated, however, if SLMP Technology is used to compensate for the irreversible capacity in the anode, the efficiency of the cathode utilization will be improved and the cost of the cell, based on the materials, will decrease.

  12. Small-signal stability analysis for two-area interconnected power system with load frequency controller in coordination with FACTS and energy storage device

    Directory of Open Access Journals (Sweden)

    Ravi Shankar

    2016-06-01

    Full Text Available This paper deals with the modelling and small signal stability analysis for the two areas interconnected power system using a load frequency controller. The eigenvalues and the participation factor analysis are used to examine the small signal stability and contribution of different states in a particular eigenvalue of the system, respectively. A load frequency controller is designed to stabilize the frequency deviations which occur due to the small perturbation in the system. In this paper, the proposed control scheme consists of an integral controller in coordination with the Redox Flow Energy Storage System (RFESS and the Static Synchronous Series Compensator (SSSC. The dynamic responses of the overall system have been improved by the proposed controller, which is also verified with the help of eigenvalue and participation factor analysis. This analysis shows that overall system oscillation has been reduced through a proposed controller.

  13. Structural and Chemical Evolution of Li- and Mn-rich Layered Cathode Material

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Jianming; Xu, Pinghong; Gu, Meng; Xiao, Jie; Browning, Nigel D.; Yan, Pengfei; Wang, Chong M.; Zhang, Jiguang

    2015-02-24

    Lithium (Li)- and manganese-rich (LMR) layered-structure materials are very promising cathodes for high energy density lithium-ion batteries. However, their voltage fading mechanism and its relationships with fundamental structural changes are far from being sufficiently understood. Here we report the detailed phase transformation pathway in the LMR cathode (Li[Li0.2Ni0.2Mn0.6]O2) during cycling for the samples prepared by hydro-thermal assistant method. It is found the transformation pathway of LMR cathode is closely correlated to its initial structure and preparation conditions. The results reveal that LMR cathode prepared by HA approach experiences a phase transformation from the layered structure to a LT-LiCoO2 type defect spinel-like structure (Fd-3m space group) and then to a disordered rock-salt structure (Fm-3m space group). The voltage fade can be well correlated with the Li ion insertion into octahedral sites, rather than tetrahedral sites, in both defect spinel-like structure and disordered rock-salt structure. The reversible Li insertion/removal into/from the disordered rock-salt structure is ascribed to the Li excess environment that can satisfy the Li percolating in the disordered rock-salt structure despite the increased kinetic barrier. Meanwhile, because of the presence of a great amount of oxygen vacancies, a significant decrease of Mn valence is detected in the cycled particle, which is below that anticipated for a potentially damaging Jahn-Teller distortion (+3.5). Clarification of the phase transformation pathway, cation redistribution, oxygen vacancy and Mn valence change undoubtedly provides insights into a profound understanding on the voltage fade, and capacity degradation of LMR cathode. The results also inspire us to further enhance the reversibility of LMR cathode via improving its surface structural stability.

  14. Utilizing Co2+/Co3+ Redox Couple in P2-Layered Na0.66Co0.22Mn0.44Ti0.34O2 Cathode for Sodium-Ion Batteries.

    Science.gov (United States)

    Wang, Qin-Chao; Hu, Enyuan; Pan, Yang; Xiao, Na; Hong, Fan; Fu, Zheng-Wen; Wu, Xiao-Jing; Bak, Seong-Min; Yang, Xiao-Qing; Zhou, Yong-Ning

    2017-11-01

    Developing sodium-ion batteries for large-scale energy storage applications is facing big challenges of the lack of high-performance cathode materials. Here, a series of new cathode materials Na 0.66 Co x Mn 0.66- x Ti 0.34 O 2 for sodium-ion batteries are designed and synthesized aiming to reduce transition metal-ion ordering, charge ordering, as well as Na + and vacancy ordering. An interesting structure change of Na 0.66 Co x Mn 0.66- x Ti 0.34 O 2 from orthorhombic to hexagonal is revealed when Co content increases from x = 0 to 0.33. In particular, Na 0.66 Co 0.22 Mn 0.44 Ti 0.34 O 2 with a P2-type layered structure delivers a reversible capacity of 120 mAh g -1 at 0.1 C. When the current density increases to 10 C, a reversible capacity of 63.2 mAh g -1 can still be obtained, indicating a promising rate capability. The low valence Co 2+ substitution results in the formation of average Mn 3.7+ valence state in Na 0.66 Co 0.22 Mn 0.44 Ti 0.34 O 2 , effectively suppressing the Mn 3+ -induced Jahn-Teller distortion, and in turn stabilizing the layered structure. X-ray absorption spectroscopy results suggest that the charge compensation of Na 0.66 Co 0.22 Mn 0.44 Ti 0.34 O 2 during charge/discharge is contributed by Co 2.2+ /Co 3+ and Mn 3.3+ /Mn 4+ redox couples. This is the first time that the highly reversible Co 2+ /Co 3+ redox couple is observed in P2-layered cathodes for sodium-ion batteries. This finding may open new approaches to design advanced intercalation-type cathode materials.

  15. Achieving excellent thermal stability and very high activation energy in an ultrafine-grained magnesium silver rare earth alloy prepared by friction stir processing

    Energy Technology Data Exchange (ETDEWEB)

    Khan MD, F. [Department of Mechanical Engineering, Indian Institute of Technology Madras, Chennai 600036 (India); Panigrahi, S.K., E-mail: skpanigrahi@iitm.ac.in [Department of Mechanical Engineering, Indian Institute of Technology Madras, Chennai 600036 (India)

    2016-10-15

    Ultrafine-grained microstructure of a QE22 alloy prepared by Friction Stir processing (FSP) is isochronally annealed to study the thermal stability and grain growth kinetics. The FSPed microstructure of QE22 alloy is thermally stable under ultrafine-grained regime up to 300 °C and the activation energy required for grain growth is found to be exceptionally high as compared to conventional ultrafine-grained magnesium alloys. The high thermal stability and activation energy of the FSPed QE22 alloy is due to Zener pinning effect from thermally stable eutectic Mg{sub 12}Nd and fine precipitates Mg{sub 12}Nd{sub 2}Ag and solute drag effect from segregation of Neodymium (Nd) solute atoms at grain boundaries.

  16. Dosimetric properties of new formulation of PRESAGE® with tin organometal catalyst: Development of sensitivity and stability to megavoltage energy

    Directory of Open Access Journals (Sweden)

    Davood Khezerloo

    2018-01-01

    Conclusions: Tin organometallic catalyst in very low concentration can be used in fabrication of radiochromic polymer gel to achieve high sensitivity and stability as well as good radiological properties in the megavoltage photon beam.

  17. Trapped particle stability for the kinetic stabilizer

    Science.gov (United States)

    Berk, H. L.; Pratt, J.

    2011-08-01

    A kinetically stabilized axially symmetric tandem mirror (KSTM) uses the momentum flux of low-energy, unconfined particles that sample only the outer end-regions of the mirror plugs, where large favourable field-line curvature exists. The window of operation is determined for achieving magnetohydrodynamic (MHD) stability with tolerable energy drain from the kinetic stabilizer. Then MHD stable systems are analysed for stability of the trapped particle mode. This mode is characterized by the detachment of the central-cell plasma from the kinetic-stabilizer region without inducing field-line bending. Stability of the trapped particle mode is sensitive to the electron connection between the stabilizer and the end plug. It is found that the stability condition for the trapped particle mode is more constraining than the stability condition for the MHD mode, and it is challenging to satisfy the required power constraint. Furthermore, a severe power drain may arise from the necessary connection of low-energy electrons in the kinetic stabilizer to the central region.

  18. Preparation and properties of shape-stabilized phase change materials based on fatty acid eutectics and cellulose composites for thermal energy storage

    International Nuclear Information System (INIS)

    Cao, Lei; Tang, Yaojie; Fang, Guiyin

    2015-01-01

    Shape-stabilized fatty acid eutectics/carboxy methyl cellulose-1 composites as phase change materials (PCMs) were synthesized by absorbing liquid eutectics into the carboxy methyl cellulose-1 fibers. The chemical structure, crystalloid phase and morphology were determined by the Fourier transformation infrared spectroscope, X-ray diffractometer and scanning electronic microscope. The thermal properties and thermal stability were measured by the differential scanning calorimeter, thermogravimetric analyzer and the thermal cycling test, respectively. The results indicate that the eutectics are well adsorbed in the porous structure of the carboxy methyl cellulose-1. According to the DSC (differential scanning calorimeter) results, the composites melt at 32.2 °C with latent heat of 114.6 kJ/kg and solidify at 29.2 °C with latent heat of 106.8 kJ/kg. The thermal cycling test proves that the composites have good thermal reliability. It is envisioned that the prepared shape-stabilized PCMs have considerable potential for developing their roles in thermal energy storage. - Highlights: • The fatty acid eutectic/carboxy methyl cellulose-1 composites as PCMs were prepared. • Chemical structure and microstructure of composites were determined by FT-IR and SEM. • Thermal properties and stabilities were investigated by DSC and TGA. • The thermal cycling test confirmed that the composite has good thermal reliability

  19. Organic, cross-linking, and shape-stabilized solar thermal energy storage materials: A reversible phase transition driven by broadband visible light

    International Nuclear Information System (INIS)

    Wang, Yunming; Tang, Bingtao; Zhang, Shufen

    2014-01-01

    Graphical abstract: Organic shape-stabilized solar thermal energy storage materials (OCSPCMs) with broadband harvesting for visible light were obtained by crosslinking and color matching, which provided a new platform for improving the efficiency of solar radiation utilization. - Highlights: • Novel phase change materials (OCSPCMs) were obtained by crosslinking and color matching. • The η of the OCSPCM was higher than 0.74 (visible light from 400 nm to 700 nm). • The phase change latent heats of the OCSPCMs were more than 120 J/g. • The OCSPCM has excellent form-stable effect during phase change process. - Abstract: Broadband visible sunlight usage and shape-stabilized effect were achieved using organic, cross-linking, and shape-stabilized phase-changed materials (OCSPCMs) with broadband visible light absorption, which were obtained by cross-linking reticulation and color matching (yellow, red, and blue) according to solar irradiation energy density. The obtained OCSPCMs exhibited excellent form-stable phase-change energy storage and broadband visible light-harvesting. Under broadband irradiation (from 400 nm to 700 nm), the light-to-heat conversion and the thermal energy storage efficiency (η > 0.74) of the OCSPCMs were significantly improved upon solar irradiation by color matching compared with those of OCSPCMs with single-band selective absorption of visible light (yellow, red, or blue). Differential scanning calorimetric results indicated that the phase change temperatures and latent heats of OCSPCMs ranged from 32.6 °C to 60.2 °C and from 120.1 J/g to 132.7 J/g, respectively. The novel materials show a reversible (more than 200 cycles) phase transition via ON/OFF switching of visible light irradiation

  20. Improvements to laser wakefield accelerated electron beam stability, divergence, and energy spread using three-dimensional printed two-stage gas cell targets

    International Nuclear Information System (INIS)

    Vargas, M.; Schumaker, W.; He, Z.-H.; Zhao, Z.; Behm, K.; Chvykov, V.; Hou, B.; Krushelnick, K.; Maksimchuk, A.; Yanovsky, V.; Thomas, A. G. R.

    2014-01-01

    High intensity, short pulse lasers can be used to accelerate electrons to ultra-relativistic energies via laser wakefield acceleration (LWFA) [T. Tajima and J. M. Dawson, Phys. Rev. Lett. 43, 267 (1979)]. Recently, it was shown that separating the injection and acceleration processes into two distinct stages could prove beneficial in obtaining stable, high energy electron beams [Gonsalves et al., Nat. Phys. 7, 862 (2011); Liu et al., Phys. Rev. Lett. 107, 035001 (2011); Pollock et al., Phys. Rev. Lett. 107, 045001 (2011)]. Here, we use a stereolithography based 3D printer to produce two-stage gas targets for LWFA experiments on the HERCULES laser system at the University of Michigan. We demonstrate substantial improvements to the divergence, pointing stability, and energy spread of a laser wakefield accelerated electron beam compared with a single-stage gas cell or gas jet target

  1. Improvements to laser wakefield accelerated electron beam stability, divergence, and energy spread using three-dimensional printed two-stage gas cell targets

    Energy Technology Data Exchange (ETDEWEB)

    Vargas, M.; Schumaker, W.; He, Z.-H.; Zhao, Z.; Behm, K.; Chvykov, V.; Hou, B.; Krushelnick, K.; Maksimchuk, A.; Yanovsky, V.; Thomas, A. G. R., E-mail: agrt@umich.edu [Center for Ultrafast Optical Science, University of Michigan, Ann Arbor, Michigan 48109 (United States)

    2014-04-28

    High intensity, short pulse lasers can be used to accelerate electrons to ultra-relativistic energies via laser wakefield acceleration (LWFA) [T. Tajima and J. M. Dawson, Phys. Rev. Lett. 43, 267 (1979)]. Recently, it was shown that separating the injection and acceleration processes into two distinct stages could prove beneficial in obtaining stable, high energy electron beams [Gonsalves et al., Nat. Phys. 7, 862 (2011); Liu et al., Phys. Rev. Lett. 107, 035001 (2011); Pollock et al., Phys. Rev. Lett. 107, 045001 (2011)]. Here, we use a stereolithography based 3D printer to produce two-stage gas targets for LWFA experiments on the HERCULES laser system at the University of Michigan. We demonstrate substantial improvements to the divergence, pointing stability, and energy spread of a laser wakefield accelerated electron beam compared with a single-stage gas cell or gas jet target.

  2. Rapid fabrication of superhydrophobic Al/Fe{sub 2}O{sub 3} nanothermite film with excellent energy-release characteristics and long-term storage stability

    Energy Technology Data Exchange (ETDEWEB)

    Ke, Xiang; Zhou, Xiang, E-mail: zhouxiang@njust.edu.cn; Hao, Gaozi; Xiao, Lei; Liu, Jie; Jiang, Wei, E-mail: superfine_jw@126.com

    2017-06-15

    Highlights: • Superhydrophobic Al/Fe{sub 2}O{sub 3} nanothermite film is prepared by combining electrophoretic deposition and surface modification technologies. • The deposition system and kinetics of electrophoretic deposition process are investigated to optimize parameters to obtain smooth films. • Energy-release characteristics of superhydrophobic films are significantly improved for both fresh and aged samples. • Superhydrophobic films exhibit excellent long-time storage stability both in natural and accelerated aging test. • A preignition reaction is found to enhance the energy-release characteristics of superhydrophobic nanothermite film. - Abstract: One of the challenges for the application of energetic materials is their energy-retaining capabilities after long-term storage. In this study, we report a facile method to fabricate superhydrophobic Al/Fe{sub 2}O{sub 3} nanothermite film by combining electrophoretic deposition and surface modification technologies. Different concentrations of dispersion solvents and additives are investigated to optimize the deposition parameters. Meanwhile, the dependence of deposition rates on nanoparticle concentrations is also studied. The surface morphology and chemical composition are characterized by field-emission scanning electron microscopy, X-ray diffraction, X-ray energy-dispersive spectroscopy, and X-ray photoelectron spectroscopy. A static contact angles as high as 156° shows the superhydrophobicity of the nanothermite film. Natural and accelerated aging tests are performed and the thermal behavior is analyzed. Thermal analysis shows that the surface modification contributes to significantly improved energy-release characteristics for both fresh and aged samples, which is supposed to be attributed to the preignition reaction between Al{sub 2}O{sub 3} shell and FAS-17. Superhydrophobic Al/Fe{sub 2}O{sub 3} nanothermite film exhibits excellent long-time storage stability with 83.4% of energy left in

  3. Inertially Stabilized Platforms for Precision Pointing Applications to Directed-Energy Weapons and Space-Based Lasers (Preprint)

    National Research Council Canada - National Science Library

    Negro, J; Griffin, S

    2006-01-01

    .... This article addresses directed-energy-weapon (DEW) precision pointing requirements and implementation alternatives in the context of strapdown and stable-platform inertial-reference technologies...

  4. A Simulation of Energy Storage System for Improving the Power System Stability with Grid-Connected PV using MCA Analysis and LabVIEW Tool

    Directory of Open Access Journals (Sweden)

    Jindrich Stuchly

    2015-01-01

    Full Text Available The large-scale penetration of distributed, Renewable power plants require transfers of large amounts of energy. This, in turn, puts a high strain on the energy delivery infrastructure. In particular, photovoltaic power plants supply energy with high intermittency, possibly affecting the stability of the grid by changing the voltage at the plant connection point. In this contribution, we summarize the main negative effects of selected and real-operated grid connected photovoltaic plant. Thereafter a review of suitable Energy storage systems to mitigate the negative effects has been carried out, compared and evaluated using Multi-criterion analysis. Based on this analysis, data collected at the plant and the grid, are used to design the energy storage systems to support connection of the plant to the grid. The cooperation of these systems is then analysed and evaluated using simulation tools created in LabVIEW for this purpose. The simulation results demonstrate the capability of energy storage system solutions to significantly reduce the negative feedback effects of Photovoltaic Power Plan to the low voltage grid.

  5. Surface energy effects on the stability of anatase and rutile nanocrystals: A predictive diagram for Nb_2O_5-doped-TiO_2

    International Nuclear Information System (INIS)

    Silva, Andre Luiz da; Hotza, Dachamir; Castro, Ricardo H.R.

    2017-01-01

    Highlights: • Anatase-rutile phase transition diagram was built for nano Nb_2O_5-doped-TiO_2. • Nb_2O_5-doping postpones the anatase-to-rutile transition. • The stability crossover for TiO_2 was 17.3 nm, for 2 mol% Nb_2O_5-doped-TiO_2 ∼30 nm. • The surface energy for Nb_2O_5-doped-TiO_2 decreases systematically with Nb concentration. - Abstract: Titanium dioxide nanoparticles are widely used for photocatalysis, and the relative fraction of titanium dioxide polymorph, i.e. anatase, rutile, or brookite, significantly affects the final performance. Even though conventional phase diagrams indicate a higher stability for the rutile polymorph, it is well established that nanosizes benefit the anatase phase due to its smaller surface energy. However, doping elements are expected to change this behavior, once changes in both surface and bulk energies may occur. Nb_2O_5 is commonly added to TiO_2 to allow property control. However, the effect of niobium on the relative stability of anatase and rutile phases is not well understood from the thermodynamic point of view. The objective of this work was to build a new predictive nanoscale phase diagram for Nb_2O_5-doped TiO_2. Water adsorption microcalorimetry and high temperature oxide melt solution were used to obtain the surface and bulk enthalpies. The phase diagram obtained shows the stable titania polymorph as a function of the composition and size.

  6. Prediction of Gibbs energies of formation and stability constants of some secondary uranium minerals containing the uranyl group

    International Nuclear Information System (INIS)

    Genderen, A.C.G. van; Weijden, C.H. van der

    1984-01-01

    For a group of minerals containing a common anion there exists a linear relationship between two parameters called ΔO and ΔF.ΔO is defined as the difference between the Gibbs energy of formation of a solid oxide and the Gibbs energy of formation of its aqueous cation, while ΔF is defined as the Gibbs energy of reaction of the formation of a mineral from the constituting oxide(s) and the acid. Using the Gibbs energies of formation of a number of known minerals the corresponding ΔO's and ΔF's were calculated and with the resulting regression equation it is possible to predict values for the Gibbs energies of formation of other minerals containing the same anion. This was done for 29 minerals containing the uranyl-ion together with phosphate, vanadate, arsenate or carbonate. (orig.)

  7. Engineering the Pores of Biomass-Derived Carbon: Insights for Achieving Ultrahigh Stability at High Power in High-Energy Supercapacitors.

    Science.gov (United States)

    Thangavel, Ranjith; Kaliyappan, Karthikeyan; Ramasamy, Hari Vignesh; Sun, Xueliang; Lee, Yun-Sung

    2017-07-10

    Electrochemical supercapacitors with high energy density are promising devices due to their simple construction and long-term cycling performance. The development of a supercapacitor based on electrical double-layer charge storage with high energy density that can preserve its cyclability at higher power presents an ongoing challenge. Herein, we provide insights to achieve a high energy density at high power with an ultrahigh stability in an electrical double-layer capacitor (EDLC) system by using carbon from a biomass precursor (cinnamon sticks) in a sodium ion-based organic electrolyte. Herein, we investigated the dependence of EDLC performance on structural, textural, and functional properties of porous carbon engineered by using various activation agents. The results demonstrate that the performance of EDLCs is not only dependent on their textural properties but also on their structural features and surface functionalities, as is evident from the electrochemical studies. The electrochemical results are highly promising and revealed that the porous carbon with poor textural properties has great potential to deliver high capacitance and outstanding stability over 300 000 cycles compared with porous carbon with good textural properties. A very low capacitance degradation of around 0.066 % per 1000 cycles, along with high energy density (≈71 Wh kg -1 ) and high power density, have been achieved. These results offer a new platform for the application of low-surface-area biomass-derived carbons in the design of highly stable high-energy supercapacitors. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Study of the stabilization energies of halide-water clusters: An application of first-principles interaction potentials based on a polarizable and flexible model

    International Nuclear Information System (INIS)

    Ayala, Regla; Martinez, Jose M.; Pappalardo, Rafael R.; Sanchez Marcos, Enrique

    2004-01-01

    The aim of this work is to compute the stabilization energy E stab (n) of [X(H 2 O) n ] - (X≡F, Br, and I for n=1-60) clusters from Monte Carlo simulations using first-principles ab initio potentials. Stabilization energy of [X(H 2 O) n ] - clusters is defined as the difference between the vertical photodeachment energy of the cluster and the electron affinity of the isolated halide. On one hand, a study about the relation between cluster structure and the E stab (n) value, as well as the dependence of the latter with temperature is performed, on the other hand, a test on the reliability of our recently developed first-principles halide ion-water interaction potentials is carried out. Two different approximations were applied: (1) the Koopmans' theorem and (2) calculation of the difference between the interaction energy of [X(H 2 O) n ] - and [X(H 2 O) n ] clusters using the same ab initio interaction potentials. The developed methodology allows for using the same interaction potentials in the case of the ionic and neutral clusters with the proviso that the charge of the halide anion was switched off in the latter. That is, no specific parametrization of the interaction potentials to fit the magnitude under study was done. The good agreement between our predicted E stab (n) and experimental data allows us to validate the first-principles interaction potentials developed elsewhere and used in this study, and supports the fact that this magnitude is mainly determined by electrostatic factors, which can be described by our interaction potentials. No relation between the value of E stab (n) and the structure of clusters has been found. The diversity of E stab (n) values found for different clusters with similar interaction energy indicates the need for statistical information to properly estimate the stabilization energy of the halide anions. The effect of temperature in the prediction of the E stab (n) is not significant as long as it was high enough to avoid

  9. Design and construction of a high-stability, low-noise power supply for use with high-resolution electron energy loss spectrometers

    International Nuclear Information System (INIS)

    Katz, J.E.; Davies, P.W.; Crowell, J.E.; Somorjai, G.A.

    1982-01-01

    The design and construction of a high-stability, low-noise power supply which provides potentials for the lens and analyzer elements of a 127 0 Ehrhardt-type high-resolution electron energy loss spectrometer (HREELS) is described. The supply incorporates a filament emission-control circuit and facilities for measuring electron beam current at each spectrometer element, thus facilitating optimal tuning of the spectrometer. Spectra obtained using this supply are shown to have a four-fold improvement in signal-to-noise ratio and a higher resolution of the vibrational loss features when compared with spectra taken using a previously existing supply based on passive potential divider networks

  10. A Molecular dynamics study of helium bubble stability during high-energy displacement cascades in alpha-iron

    International Nuclear Information System (INIS)

    Pu, Jin; Yang, Li; Zu, Xiaotao; Gao, Fei

    2007-01-01

    The interactions of high-energy displacement cascades with helium bubbles in a-Fe are investigated using molecular dynamics simulations. Initial bubbles with the volumes of 212 and 636 (angstrom)3 are considered, and the helium-to-vacancy (He/V) ratio in the bubbles varies from 0.5 to 3. Primary knock-on atom (PKA) energy, Ep, is up to 40 keV. The results show that the change of nm-sized He bubbles due to displacement cascade does not depend much on the bubble size, but rather on the He/V ratio and the recoil energy. For the initial He/V ratio less than 1, the size of the bubbles decreases with increasing PKA energy, but the He/V ratio increases. However, for the initial He/V ratio of 3, the size of the bubbles increases, and the He/V ratio decreases with PKA energy. For the initial He/V ratio of 1, the ratio of the small bubble decreases slightly, but the ratio of the large bubble remains unchanged for lower PKA energy, and increases slightly for higher PKA energy. The reasons for these observed phenomena have been explained

  11. Colloidal properties of sodium caseinate-stabilized nanoemulsions prepared by a combination of a high-energy homogenization and evaporative ripening methods.

    Science.gov (United States)

    Montes de Oca-Ávalos, J M; Candal, R J; Herrera, M L

    2017-10-01

    Nanoemulsions stabilized by sodium caseinate (NaCas) were prepared using a combination of a high-energy homogenization and evaporative ripening methods. The effects of protein concentration and sucrose addition on physical properties were analyzed by dynamic light scattering (DLS), Turbiscan analysis, confocal laser scanning microscopy (CLSM) and small angle X-ray scattering (SAXS). Droplets sizes were smaller (~100nm in diameter) than the ones obtained by other methods (200 to 2000nm in diameter). The stability behavior was also different. These emulsions were not destabilized by creaming. As droplets were so small, gravitational forces were negligible. On the contrary, when they showed destabilization the main mechanism was flocculation. Stability of nanoemulsions increased with increasing protein concentrations. Nanoemulsions with 3 or 4wt% NaCas were slightly turbid systems that remained stable for at least two months. According to SAXS and Turbiscan results, aggregates remained in the nano range showing small tendency to aggregation. In those systems, interactive forces were weak due to the small diameter of flocs. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Flight and Stability of a Laser Inertial Fusion Energy Target in the Drift Region between Injection and the Reaction Chamber with Computational Fluid Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Mitori, T. [California Polytechnic State Univ. (CalPoly), San Luis Obispo, CA (United States)

    2013-12-01

    A Laser Inertial Fusion Energy (LIFE) target’s flight through a low Reynolds number and high Mach number regime was analyzed with computational fluid dynamics software. This regime consisted of xenon gas at 1,050 K and approximately 6,670 Pa. Simulations with similar flow conditions were performed with a sphere and compared with experimental data and published correlations for validation purposes. Transient considerations of the developing flow around the target were explored. Simulations of the target at different velocities were used to determine correlations for the drag coefficient and Nusselt number as functions of the Reynolds number. Simulations with different angles of attack were used to determine the aerodynamic coefficients of drag, lift, Magnus moment, and overturning moment as well as target stability. The drag force, lift force, and overturning moment changed minimally with spin. Above an angle of attack of 15°, the overturning moment would be destabilizing. At low angles of attack (less than 15°), the overturning moment would tend to decrease the target’s angle of attack, indicating the lack of a need for spin for stability at small angles. This stabilizing moment would cause the target to move in a mildly damped oscillation about the axis parallel to the free-stream velocity vector through the target’s center of gravity.

  13. Heat pump control method based on direct measurement of evaporation pressure to improve energy efficiency and indoor air temperature stability at a low cooling load condition

    International Nuclear Information System (INIS)

    Park, Young Sung; Jeong, Ji Hwan; Ahn, Byoung Ha

    2014-01-01

    Highlights: • New heat pump control method was developed. • Experimental investigation on performance of heat pump with various control method. • New control method appeared to improve the stability of indoor air temperature. • New control method appeared to have a potential to reduce power consumption. - Abstract: The control systems of conventional heat pumps have an input of refrigerant temperature at the evaporator outlet to maintain superheat at proper level. In order to develop a control method that can be used to achieve better indoor thermal comfort and energy efficiency at a low cooling load condition than the current control method, a new method of the evaporation pressure control based on the evaporator outlet pressure reading (EPCP) was developed. The changes in the stability of indoor air temperature and power consumption were measured while changing the compressor frequency in accordance with the new control method. Compared with the evaporation pressure control based on the evaporator outlet temperature reading, the EPCP control method appeared to improve the stability of room air temperature or occupant thermal comfort significantly

  14. An Energy-Stabilized Varied-Line-Space-Monochromator Undulator Beam Line for PEEM Illumination and Magnetic Circular Dichroism

    International Nuclear Information System (INIS)

    Warwick, Tony; McKinney, Wayne; Domning, Ed; Doran, Andrew; Padmore, Howard

    2006-01-01

    A new undulator beam line has been built and commissioned at the Advanced Light Source for illumination of the PEEM3 microscope. The beam line delivers high flux beams over an energy range from C1s through the transition metals to include the M edges of the magnetic rare earth elements. We present details of the optical design, and data on the performance of the zero-order tracking of the photon energy

  15. Long-term stability analysis and effect evaluation of energy supply and demand in asia and pacific regions

    Energy Technology Data Exchange (ETDEWEB)

    Choi, B.R. [Korea Energy Economics Institute, Euiwang (Korea, Republic of)

    1998-06-01

    The competition in the supply of energy in Northeast Asian countries including Korea is forecasted to be intensively unfolded because of the soaring energy consumption the region. It is because the consumption of coal in Asia will be curtailed due to heightened global attention to environment, the import of Middle Eastern crude oil will be largely increasing since crude oil production in China and Indonesia is experiencing a slow-down. Therefore, close international cooperation is requested for the smooth supply of crude oil and natural gas to back up the economic growth. This study checked the energy supply and demand status in the Asian region that is changing since the 1990s, and analyzed the pressure factors in the energy supply sector. It needs to develop the Far Eastern region of Russia intensively as the energy supply base together with the Middle Eastern oil- producing regions as the plan to alleviate the energy competition within the region and seek economic development concurrently. Since this region requires large- scale investment as an never-expedited area, multilateral cooperation including neighboring countries that need energy and international enterprises who are interested in the profitability of the business are urgently required. Therefore, it is necessary to form and operate Northeast Asia Energy Forum (NAEF) which is a centripetal point that will actually carry out the resources development of Northeast Asia. Korea who is at the centripetal point of Northeast Asian tension should actively participate and support in the formation of this organization within the region in order to utilize it as the cornerstone of national north and south unification. 41 refs., 7 figs., 53 tabs.

  16. Generic roll-to-roll compatible method for insolubilizing and stabilizing conjugated active layers based on low energy electron irradiation

    DEFF Research Database (Denmark)

    Helgesen, Martin; Carlé, Jon Eggert; Helt-Hansen, Jakob

    2014-01-01

    Irradiation of organic multilayer films is demonstrated as a powerful method to improve several properties of polymer thin films and devices derived from them. The chemical cross‐linking that is the direct result of the irradiation with ∼100 keV electrons is fast and has a penetration power...... stability. The method is fast, generic, contactless, and fully compatible with high‐speed roll‐to‐roll processing of i.e. polymer solar cells at web speeds in excess of 60 m min−1. We employ fully printed, flexible, and foil‐based indium‐tin‐oxide free polymer solar cells in this study to demonstrate...

  17. Stability and mobility of Cu-vacancy clusters in Fe-Cu alloys: A computational study based on the use of artificial neural networks for energy barrier calculations

    International Nuclear Information System (INIS)

    Pascuet, M.I.; Castin, N.; Becquart, C.S.; Malerba, L.

    2011-01-01

    An atomistic kinetic Monte Carlo (AKMC) method has been applied to study the stability and mobility of copper-vacancy clusters in Fe. This information, which cannot be obtained directly from experimental measurements, is needed to parameterise models describing the nanostructure evolution under irradiation of Fe alloys (e.g. model alloys for reactor pressure vessel steels). The physical reliability of the AKMC method has been improved by employing artificial intelligence techniques for the regression of the activation energies required by the model as input. These energies are calculated allowing for the effects of local chemistry and relaxation, using an interatomic potential fitted to reproduce them as accurately as possible and the nudged-elastic-band method. The model validation was based on comparison with available ab initio calculations for verification of the used cohesive model, as well as with other models and theories.

  18. Stability analysis of a power system made up of an intermittent renewable energy source directly tied to a conventional rotating power generator

    International Nuclear Information System (INIS)

    Coiante, D.

    1997-02-01

    A simple power system made up of a conventional rotating power generator in direct connection to an intermittent renewable energy source (with energy or photovoltaic) is modelled on the base of respective functional schemes. The relative variations of the voltage frequency are calculated as an output to an abrupt variation of intermittent tied power and in function of electro-mechanical parameters of the rotating generator (dumping coefficient and inertial rotor coefficient). The stability conditions and the tolerance allowed on the frequency variations are considered in relation to toad service requires. As a consequence, the maximum intermittent power amount, which can be accepted in direct connection, is obtained. For usual conventional rotating machines, the resulting limit is placed in the range of (12-19)% of nominal capacity of power generator

  19. Stability and mobility of Cu-vacancy clusters in Fe-Cu alloys: A computational study based on the use of artificial neural networks for energy barrier calculations

    Science.gov (United States)

    Pascuet, M. I.; Castin, N.; Becquart, C. S.; Malerba, L.

    2011-05-01

    An atomistic kinetic Monte Carlo (AKMC) method has been applied to study the stability and mobility of copper-vacancy clusters in Fe. This information, which cannot be obtained directly from experimental measurements, is needed to parameterise models describing the nanostructure evolution under irradiation of Fe alloys (e.g. model alloys for reactor pressure vessel steels). The physical reliability of the AKMC method has been improved by employing artificial intelligence techniques for the regression of the activation energies required by the model as input. These energies are calculated allowing for the effects of local chemistry and relaxation, using an interatomic potential fitted to reproduce them as accurately as possible and the nudged-elastic-band method. The model validation was based on comparison with available ab initio calculations for verification of the used cohesive model, as well as with other models and theories.

  20. HTS flywheel energy storage system with rotor shaft stabilized by feed-back control of armature currents of motor-generator

    International Nuclear Information System (INIS)

    Tsukamoto, O.; Utsunomiya, A.

    2007-01-01

    We propose an HTS bulk bearing flywheel energy system (FWES) with rotor shaft stabilization system using feed-back control of the armature currents of the motor-generator. In the proposed system the rotor shift has a pivot bearing at one end of the shaft and an HTS bulk bearing (SMB) at the other end. The fluctuation of the rotor shaft with SMB is damped by feed-back control of the armature currents of the motor-generator sensing the position of the rotor shaft. The method has merits that the fluctuations are damped without active control magnet bearings and extra devices which may deteriorate the energy storage efficiency and need additional costs. The principle of the method was demonstrated by an experiment using a model permanent magnet motor

  1. HTS flywheel energy storage system with rotor shaft stabilized by feed-back control of armature currents of motor-generator

    Science.gov (United States)

    Tsukamoto, O.; Utsunomiya, A.

    2007-10-01

    We propose an HTS bulk bearing flywheel energy system (FWES) with rotor shaft stabilization system using feed-back control of the armature currents of the motor-generator. In the proposed system the rotor shift has a pivot bearing at one end of the shaft and an HTS bulk bearing (SMB) at the other end. The fluctuation of the rotor shaft with SMB is damped by feed-back control of the armature currents of the motor-generator sensing the position of the rotor shaft. The method has merits that the fluctuations are damped without active control magnet bearings and extra devices which may deteriorate the energy storage efficiency and need additional costs. The principle of the method was demonstrated by an experiment using a model permanent magnet motor.

  2. Assessing climate change impacts on the near-term stability of the wind energy resource over the United States.

    Science.gov (United States)

    Pryor, S C; Barthelmie, R J

    2011-05-17

    The energy sector comprises approximately two-thirds of global total greenhouse gas emissions. For this and other reasons, renewable energy resources including wind power are being increasingly harnessed to provide electricity generation potential with negligible emissions of carbon dioxide. The wind energy resource is naturally a function of the climate system because the "fuel" is the incident wind speed and thus is determined by the atmospheric circulation. Some recent articles have reported historical declines in measured near-surface wind speeds, leading some to question the continued viability of the wind energy industry. Here we briefly articulate the challenges inherent in accurately quantifying and attributing historical tendencies and making robust projections of likely future wind resources. We then analyze simulations from the current generation of regional climate models and show, at least for the next 50 years, the wind resource in the regions of greatest wind energy penetration will not move beyond the historical envelope of variability. Thus this work suggests that the wind energy industry can, and will, continue to make a contribution to electricity provision in these regions for at least the next several decades.

  3. Stearic-acid/carbon-nanotube composites with tailored shape-stabilized phase transitions and light–heat conversion for thermal energy storage

    International Nuclear Information System (INIS)

    Li, Benxia; Nie, Shibin; Hao, Yonggan; Liu, Tongxuan; Zhu, Jinbo; Yan, Shilong

    2015-01-01

    Highlights: • A facile preparation of shape-stabilized composite PCMs for thermal energy storage. • The composite PCMs present tunable phase change temperatures and enthalpy. • Sunlight-driven phase change for photothermal conversion and storage. - Abstract: The development of functional materials with both light–heat conversion and thermal energy storage properties is of crucial importance for efficient utilization of sunlight to meet the growing demand for sustainable energy. In this work, the shape-stabilized phase change composites were designed and prepared by integration of stearic acid (SA) and acid-treated carbon nanotubes (a-CNTs). The a-CNTs not only acted as a flexible matrix but also endowed the composites high light–heat conversion ability. The reversible phase transitions shifted from high temperatures (T m = 74 °C, T f = 57 °C) of pure SA to near room temperature (T m = ∼30 °C, T f = ∼22 °C) of SA/a-CNTs composites, probably resulting from the strong interface confinement effect. The phase change enthalpy of the SA/a-CNTs composite could also be tailored by changing the mass ratio of SA and a-CNTs. The composites containing SA of 54.2 wt.%, 67.8 wt.% and 79.5 wt.% presented the melting enthalpy of 76.3 J/g, 98.8 J/g and 111.8 J/g, respectively. Moreover, the phase transition of SA/a-CNTs composite could be driven by sunlight for the energy storage/release. Therefore, this research provides a new platform for improving solar utilization, and understanding the phase transition behaviors of organic PCMs in dimensionally confined environments as well

  4. TU-F-18A-09: CT Number Stability Across Patient Sizes Using Virtual-Monoenergetic Dual-Energy CT

    Energy Technology Data Exchange (ETDEWEB)

    Michalak, G; Grimes, J; Fletcher, J; McCollough, C [Mayo Clinic, Rochester, MN (United States); Halaweish, A [Siemens Healthcare, Rochester, MN (United States)

    2014-06-15

    Purpose: Virtual-monoenergetic imaging uses dual-energy CT data to synthesize images corresponding to a single photon energy, thereby reducing beam-hardening artifacts. This work evaluated the ability of a commercial virtual-monoenergetic algorithm to achieve stable CT numbers across patient sizes. Methods: Test objects containing a range of iodine and calcium hydroxyapatite concentrations were placed inside 8 torso-shaped water phantoms, ranging in lateral width from 15 to 50 cm, and scanned on a dual-source CT system (Siemens Somatom Force). Single-energy scans were acquired from 70-150 kV in 10 kV increments; dual-energy scans were acquired using 4 energy pairs (low energy: 70, 80, 90, and 100 kV; high energy: 150 kV + 0.6 mm Sn). CTDIvol was matched for all single- and dual-energy scans for a given phantom size. All scans used 128×0.6 mm collimation and were reconstructed with 1-mm thickness at 0.8-mm increment and a medium smooth body kernel. Monoenergetic images were generated using commercial software (syngo Via Dual Energy, VA30). Iodine contrast was calculated as the difference in mean iodine and water CT numbers from respective regions-of-interest in 10 consecutive images. Results: CT numbers remained stable as phantom width varied from 15 to 50 cm for all dual-energy data sets (except for at 50 cm using 70/150Sn due to photon starvation effects). Relative to the 15 cm phantom, iodine contrast was within 5.2% of the 70 keV value for phantom sizes up to 45 cm. At 90/150Sn, photon starvation did not occur at 50 cm, and iodine contrast in the 50-cm phantom was within 1.4% of the 15-cm phantom. Conclusion: Monoenergetic imaging, as implemented in the evaluated commercial system, eliminated the variation in CT numbers due to patient size, and may provide more accurate data for quantitative tasks, including radiation therapy treatment planning. Siemens Healthcare.

  5. Thermal properties and stabilities of the eutectic mixture: 1,6-hexanediol/lauric acid as a phase change material for thermal energy storage

    International Nuclear Information System (INIS)

    Han, Lipeng; Ma, Guixiang; Xie, Shaolei; Sun, Jinhe; Jia, Yongzhong; Jing, Yan

    2017-01-01

    Highlights: • The eutectic mixture of 1,6-hexanediol/lauric acid was studied as a phase change material. • The mass fraction of 1,6-hexanediol in eutectic point is 70%. • The melting point and latent heat are measured to be 36.92 °C and 177.11 J g −1 . • The eutectic mixture showed good thermal and cyclic stabilities. - Abstract: Thermal properties and stabilities of the eutectic mixture: 1,6-hexanediol (HE) and lauric acid (LA) as a new phase change material (PCM) for latent heat thermal energy storage (TES) were investigated. Differential scanning calorimetry (DSC) results indicated that the aforementioned HE/LA mixture with eutectic composition (70/30 wt.%) was a suitable PCM in terms of melting point (T peak = 36.92 ± 0.71 °C) and latent heat of fusion (ΔH m = 177.11 ± 7.93 J g −1 ). After 1000 thermal cycles, the change in melting point for the eutectic mixture was in the range of −0.49% to −1.19%, and the change in latent heat of fusion was in the range of −0.22% to −3.24%. The eutectic mixture was thermally and chemically stable according to results of thermogravimetric analysis (TGA), volatile test and Fourier Transform Infrared (FT-IR) spectroscopic analysis. Therefore, the HE/LA eutectic mixture is an effective TES material to reduce energy consumption.

  6. Highly Enhanced Electromechanical Stability of Large-Area Graphene with Increased Interfacial Adhesion Energy by Electrothermal-Direct Transfer for Transparent Electrodes.

    Science.gov (United States)

    Kim, Jangheon; Kim, Gi Gyu; Kim, Soohyun; Jung, Wonsuk

    2016-09-07

    Graphene, a two-dimensional sheet of carbon atoms in a hexagonal lattice structure, has been extensively investigated for research and industrial applications as a promising material with outstanding electrical, mechanical, and chemical properties. To fabricate graphene-based devices, graphene transfer to the target substrate with a clean and minimally defective surface is the first step. However, graphene transfer technologies require improvement in terms of uniform transfer with a clean, nonfolded and nontorn area, amount of defects, and electromechanical reliability of the transferred graphene. More specifically, uniform transfer of a large area is a key challenge when graphene is repetitively transferred onto pretransferred layers because the adhesion energy between graphene layers is too low to ensure uniform transfer, although uniform multilayers of graphene have exhibited enhanced electrical and optical properties. In this work, we developed a newly suggested electrothermal-direct (ETD) transfer method for large-area high quality monolayer graphene with less defects and an absence of folding or tearing of the area at the surface. This method delivers uniform multilayer transfer of graphene by repetitive monolayer transfer steps based on high adhesion energy between graphene layers and the target substrate. To investigate the highly enhanced electromechanical stability, we conducted mechanical elastic bending experiments and reliability tests in a highly humid environment. This ETD-transferred graphene is expected to replace commercial transparent electrodes with ETD graphene-based transparent electrodes and devices such as a touch panels with outstanding electromechanical stability.

  7. Two-Stage Battery Energy Storage System (BESS in AC Microgrids with Balanced State-of-Charge and Guaranteed Small-Signal Stability

    Directory of Open Access Journals (Sweden)

    Bing Xie

    2018-02-01

    Full Text Available In this paper, a two-stage battery energy storage system (BESS is implemented to enhance the operation condition of conventional battery storage systems in a microgrid. Particularly, the designed BESS is composed of two stages, i.e., Stage I: integration of dispersed energy storage units (ESUs using parallel DC/DC converters, and Stage II: aggregated ESUs in grid-connected operation. Different from a conventional BESS consisting of a battery management system (BMS and power conditioning system (PCS, the developed two-stage architecture enables additional operation and control flexibility in balancing the state-of-charge (SoC of each ESU and ensures the guaranteed small-signal stability, especially in extremely weak grid conditions. The above benefits are achieved by separating the control functions between the two stages. In Stage I, a localized power sharing scheme based on the SoC of each particular ESU is developed to manage the SoC and avoid over-charge or over-discharge issues; on the other hand, in Stage II, an additional virtual impedance loop is implemented in the grid-interactive DC/AC inverters to enhance the stability margin with multiple parallel-connected inverters integrating at the point of common coupling (PCC simultaneously. A simulation model based on MATLAB/Simulink is established, and simulation results verify the effectiveness of the proposed BESS architecture and the corresponding control diagram.

  8. The AHA Moment: Assessment of the Redox Stability of Ionic Liquids Based on Aromatic Heterocyclic Anions (AHAs) for Nuclear Separations and Electric Energy Storage.

    Science.gov (United States)

    Shkrob, Ilya A; Marin, Timothy W

    2015-11-19

    Because of their extended conjugated bond network, aromatic compounds generally have higher redox stability than less saturated compounds. We conjectured that ionic liquids (ILs) consisting of aromatic heterocyclic anions (AHAs) may exhibit improved radiation and electrochemical stability. Such properties are important in applications of these ILs as diluents in radionuclide separations and electrolytes in the electric energy storage devices. In this study, we systematically examine the redox chemistry of the AHAs. Three classes of these anions have been studied: (i) simple 5-atom ring AHAs, such as the pyrazolide and triazolides, (ii) AHAs containing an adjacent benzene ring, and (iii) AHAs containing electron-withdrawing groups that were introduced to reduce their basicity and interaction with metal ions. It is shown that fragmentation in the reduced and oxidized states of these AHAs does not generally occur, and the two main products, respectively, are the H atom adduct and the imidyl radical. The latter species occurs either as an N σ-radical or as an N π-radical, depending on the length of the N-N bond, and the state that is stabilized in the solid matrix is frequently different from that having the lowest energy in the gas phase. In some instances, the formation of the sandwich π-stack dimer radical anions has been observed. For trifluoromethylated anions, H adduct formation did not occur; instead, there was facile loss of fluoride from their fluorinated groups. The latter can be problematic in nuclear separations, but beneficial in batteries. Overall, our study suggests that AHA-based ILs are viable candidates for use as radiation-exposed diluents and electrolytes.

  9. Structural stability and decomposition of Mg(BH4)2 isomorphs - an ab initio free energy study

    DEFF Research Database (Denmark)

    Voss, Johannes; Hummelshøj, Jens Strabo; Lodziana, Z.

    2009-01-01

    We present the first comprehensive comparison between free energies, based on a phonon dispersion calculation within density functional theory, of theoretically predicted structures and the experimentally proposed a (P6(1)) and beta (Fddd) phases of the promising hydrogen storage material Mg(BH4...... of the unstable modes, we have obtained a new F222 structure, which has a lower energy than all previously experimentally and theoretically proposed phases of Mg( BH4) 2 and is free of imaginary eigenmodes. A new meta-stable high-density I4(1)/amd structure is also derived from the I (4) over bar m2 phase...

  10. Energy-balance climate models: stability experiments with a refined albedo and updated coefficients for infrared emission

    NARCIS (Netherlands)

    Oerlemans, J.

    1978-01-01

    A zonally averaged' climate model of the energy-balance type is examined. Recently published satellite measurements were used to improve existing parameterizations of planetary albedo and outgoing radiation in terms of surface and sea level temperature. A realistic constant for the diffusion of

  11. Energy

    International Nuclear Information System (INIS)

    Meister, F.; Ott, F.

    2002-01-01

    This chapter gives an overview of the current energy economy in Austria. The Austrian political aims of sustainable development and climate protection imply a reorientation of the Austrian energy policy as a whole. Energy consumption trends (1993-1998), final energy consumption by energy carrier (indexed data 1993-1999), comparative analysis of useful energy demand (1993 and 1999) and final energy consumption of renewable energy sources by sector (1996-1999) in Austria are given. The necessary measures to be taken in order to reduce the energy demand and increased the use of renewable energy are briefly mentioned. Figs. 5. (nevyjel)

  12. Effect of the milling energy on the production and thermal stability of amorphous Mg50Ni50

    International Nuclear Information System (INIS)

    Guzman, D.; Ordonez, S.; Serafini, D.; Rojas, P.; Bustos, O.

    2009-01-01

    The effect of milling energy on the amorphisation process and subsequent thermal crystallization of Mg 50 Ni 50 was investigated. The amorphous Mg 50 Ni 50 was produced using a planetary mill (medium energy) with a ball to material weight ratio of 13:1, and a SPEX mill (high energy) with a ball to material weight ratio of 20:1. The results obtained by means of X-ray diffraction showed that it is possible to obtain an amorphous Mg 50 Ni 50 alloy, through both milling processes, starting of Ni powders and Mg turnings. However, the amorphisation process requires more time in the planetary mill (80-90 h) than in the SPEX mill (15-20 h), due to the difference in energy level and milling mechanism between these mills. The phase evolution during the amorphisation process is practically independent of the mill energy. In this way, it was observed that the mill conditions promoted an extensive refinement of the microstructure during the first hours of milling. The defects produced during this time led to the amorphisation of part of the system. This amorphous precursor suffers a mechanically induced crystallization into Mg 2 Ni, which is subsequently destabilized into amorphous Mg 50 Ni 50 . Based on the results obtained, it is proposed that the formation of amorphous precursor during mechanical milling of Mg and Ni is a characteristic of the Mg-Ni system, over a wide composition range, rather than of a particular composition. In relation to the thermal crystallization of the amorphous produced, the results of the differential thermal analysis applied to the amorphous samples showed that the formation enthalpy for both amorphous is the same, however, the amorphous produced in a planetary mill presented higher crystallization temperatures and apparent activation energies than the amorphous produced in a SPEX mill. The last behavior would be related with iron contamination coming from the erosion of the milling media. Finally, it is possible to conclude, that under the

  13. Energy

    International Nuclear Information System (INIS)

    Meister, F.

    2001-01-01

    This chapter of the environmental control report deals with the environmental impact of energy production, energy conversion, atomic energy and renewable energy. The development of the energy consumption in Austria for the years 1993 to 1999 is given for the different energy types. The development of the use of renewable energy sources in Austria is given, different domestic heat-systems are compared, life cycles and environmental balance are outlined. (a.n.)

  14. Conformational locking by design: relating strain energy with luminescence and stability in rigid metal-organic frameworks.

    Science.gov (United States)

    Shustova, Natalia B; Cozzolino, Anthony F; Dincă, Mircea

    2012-12-05

    Minimization of the torsional barrier for phenyl ring flipping in a metal-organic framework (MOF) based on the new ethynyl-extended octacarboxylate ligand H(8)TDPEPE leads to a fluorescent material with a near-dark state. Immobilization of the ligand in the rigid structure also unexpectedly causes significant strain. We used DFT calculations to estimate the ligand strain energies in our and all other topologically related materials and correlated these with empirical structural descriptors to derive general rules for trapping molecules in high-energy conformations within MOFs. These studies portend possible applications of MOFs for studying fundamental concepts related to conformational locking and its effects on molecular reactivity and chromophore photophysics.

  15. Nuclei far from the beta stability line. High-energy beta decay and delayed-particle emission

    International Nuclear Information System (INIS)

    Hansen, R.G.; Hornshj, P.

    1976-01-01

    Progress in on-line mass separation together with improved proton accelerators now permit the production of secondary ion-beams of the order of 10 11 atoms per second. Applications to the study of delayed-proton and delayed-alpha emission are discussed. These effects have been used for the estimation of alpha-emission strength functions at 4-6 MeV excitation energy, and for the determination of level densities through fluctuation analysis

  16. Impacts of the aerodynamic force representation on the stability and performance of a galloping-based energy harvester

    Science.gov (United States)

    Javed, U.; Abdelkefi, A.

    2017-07-01

    One of the challenging tasks in the analytical modeling of galloping systems is the representation of the galloping force. In this study, the impacts of using different aerodynamic load representations on the dynamics of galloping oscillations are investigated. A distributed-parameter model is considered to determine the response of a galloping energy harvester subjected to a uniform wind speed. For the same experimental data and conditions, various polynomial expressions for the galloping force are proposed in order to determine the possible differences in the variations of the harvester's outputs as well as the type of instability. For the same experimental data of the galloping force, it is demonstrated that the choice of the coefficients of the polynomial approximation may result in a change in the type of bifurcation, the tip displacement and harvested power amplitudes. A parametric study is then performed to investigate the effects of the electrical load resistance on the harvester's performance when considering different possible representations of the aerodynamic force. It is indicated that for low and high values of the electrical resistance, there is an increase in the range of wind speeds where the response of the energy harvester is not affected. The performed analysis shows the importance of accurately representing the galloping force in order to efficiently design piezoelectric energy harvesters.

  17. Microwave stability at transition

    International Nuclear Information System (INIS)

    Holt, J.A.; Colestock, P.L.

    1995-05-01

    The question of microwave stability at transition is revisited using a Vlasov approach retaining higher order terms in the particle dynamics near the transition energy. A dispersion relation is derived which can be solved numerically for the complex frequency in terms of the longitudinal impedance and other beam parameters. Stability near transition is examined and compared with simulation results

  18. Surface Grafting of Ru(II) Diazonium-Based Sensitizers on Metal Oxides Enhances Alkaline Stability for Solar Energy Conversion.

    Science.gov (United States)

    Bangle, Rachel; Sampaio, Renato N; Troian-Gautier, Ludovic; Meyer, Gerald J

    2018-01-24

    The electrografting of [Ru(ttt)(tpy-C 6 H 4 -N 2 + )] 3+ , where "ttt" is 4,4',4″-tri-tert-butyl-2,2':6',2″-terpyridine, was investigated on several wide band gap metal oxide surfaces (TiO 2 , SnO 2 , ZrO 2 , ZnO, In 2 O 3 :Sn) and compared to structurally analogous sensitizers that differed only by the anchoring group, i.e., -PO 3 H 2 and -COOH. An optimized procedure for diazonium electrografting to semiconductor metal oxides is presented that allowed surface coverages that ranged between 4.7 × 10 -8 and 10.6 × 10 -8 mol cm -2 depending on the nature of the metal oxide. FTIR analysis showed the disappearance of the diazonium stretch at 2266 cm -1 after electrografting. XPS analysis revealed a characteristic peak of Ru 3d at 285 eV as well as a peak at 531.6 eV that was attributed to O 1s in Ti-O-C bonds. Photocurrents were measured to assess electron injection efficiency of these modified surfaces. The electrografted sensitizers exhibited excellent stability across a range of pHs spanning from 1 to 14, where classical binding groups such as carboxylic and phosphonic derivatives were hydrolyzed.

  19. Effective delivery of sonication energy to fast settling and agglomerating nanomaterial suspensions for cellular studies: Implications for stability, particle kinetics, dosimetry and toxicity.

    Science.gov (United States)

    Cohen, Joel M; Beltran-Huarac, Juan; Pyrgiotakis, Georgios; Demokritou, Philip

    2018-04-01

    Typical in vitro assays used for high throughput toxicological screening and measuring nano-bio interactions are conducted by pipetting suspensions of engineered nanomaterials (ENMs) dispersed in nutrient-rich culture media directly onto cells. In order to achieve fairly monodisperse and stable suspensions of small agglomerates, ultrasonic energy is usually applied to break apart large agglomerates that can form upon suspension in liquid. Lack of standardized protocols and methods for delivering sonication energy can introduce variability in the ENM suspension properties ( e.g . agglomerate size, polydispersity, suspension stability over time), and holds significant implications for in vitro dosimetry, toxicity, and other nano-bio interactions. Careful assessment of particle transformations during dispersion preparation and sonication is therefore critical for accurate interpretation of in vitro toxicity studies. In this short communication, the difficulties of preparing stable suspensions of rapidly settling ENMs are presented. Furthermore, methods to optimize the delivery of the critical sonication energy required to break large agglomerates and prepare stable, fairly monodispersed suspensions of fast settling ENMs are presented. A methodology for the efficient delivery of sonication energy in a discrete manner is presented and validated using various rapidly agglomerating and settling ENMs. The implications of continuous vs. discrete sonication on average hydrodynamic diameter, and polydispersity was also assessed for both fast and slow settling ENMs. For the rapidly agglomerating and settling ENMs (Ag15%/SiO 2 , Ag and CeO 2 ), the proposed discrete sonication achieved a significant reduction in the agglomerate diameter and polydispersity. In contrast, the relatively slow agglomerating and settling Fe 2 O 3 suspension did not exhibit statistically significant differences in average hydrodynamic diameter or polydispersity between the continuous and discrete

  20. Cauchy horizon stability in a collapsing spherical dust cloud: II. Energy bounds for test fields and odd-parity gravitational perturbations

    Science.gov (United States)

    Ortiz, Néstor; Sarbach, Olivier

    2018-01-01

    We analyze the stability of the Cauchy horizon associated with a globally naked, shell-focussing singularity arising from the complete gravitational collapse of a spherical dust cloud. In a previous work, we have studied the dynamics of spherical test scalar fields on such a background. In particular, we proved that such fields cannot develop any divergences which propagate along the Cauchy horizon. In the present work, we extend our analysis to the more general case of test fields without symmetries and to linearized gravitational perturbations with odd parity. To this purpose, we first consider test fields possessing a divergence-free stress-energy tensor satisfying the dominant energy condition, and we prove that a suitable energy norm is uniformly bounded in the domain of dependence of the initial slice. In particular, this result implies that free-falling observers co-moving with the dust particles measure a finite energy of the field, even as they cross the Cauchy horizon at points lying arbitrarily close to the central singularity. Next, for the case of Klein–Gordon fields, we derive point-wise bounds from our energy estimates which imply that the scalar field cannot diverge at the Cauchy horizon, except possibly at the central singular point. Finally, we analyze the behaviour of odd-parity, linear gravitational and dust perturbations of the collapsing spacetime. Similarly to the scalar field case, we prove that the relevant gauge-invariant combinations of the metric perturbations stay bounded away from the central singularity, implying that no divergences can propagate in the vacuum region. Our results are in accordance with previous numerical studies and analytic work in the self-similar case.

  1. Stability conditions for exact-exchange Kohn-Sham methods and their relation to correlation energies from the adiabatic-connection fluctuation-dissipation theorem.

    Science.gov (United States)

    Bleiziffer, Patrick; Schmidtel, Daniel; Görling, Andreas

    2014-11-28

    The occurrence of instabilities, in particular singlet-triplet and singlet-singlet instabilities, in the exact-exchange (EXX) Kohn-Sham method is investigated. Hessian matrices of the EXX electronic energy with respect to the expansion coefficients of the EXX effective Kohn-Sham potential in an auxiliary basis set are derived. The eigenvalues of these Hessian matrices determine whether or not instabilities are present. Similar as in the corresponding Hartree-Fock case instabilities in the EXX method are related to symmetry breaking of the Hamiltonian operator for the EXX orbitals. In the EXX methods symmetry breaking can easily be visualized by displaying the local multiplicative exchange potential. Examples (N2, O2, and the polyyne C10H2) for instabilities and symmetry breaking are discussed. The relation of the stability conditions for EXX methods to approaches calculating the Kohn-Sham correlation energy via the adiabatic-connection fluctuation-dissipation (ACFD) theorem is discussed. The existence or nonexistence of singlet-singlet instabilities in an EXX calculation is shown to indicate whether or not the frequency-integration in the evaluation of the correlation energy is singular in the EXX-ACFD method. This method calculates the Kohn-Sham correlation energy through the ACFD theorem theorem employing besides the Coulomb kernel also the full frequency-dependent exchange kernel and yields highly accurate electronic energies. For the case of singular frequency-integrands in the EXX-ACFD method a regularization is suggested. Finally, we present examples of molecular systems for which the self-consistent field procedure of the EXX as well as the Hartree-Fock method can converge to more than one local minimum depending on the initial conditions.

  2. Stability conditions for exact-exchange Kohn-Sham methods and their relation to correlation energies from the adiabatic-connection fluctuation-dissipation theorem

    International Nuclear Information System (INIS)

    Bleiziffer, Patrick; Schmidtel, Daniel; Görling, Andreas

    2014-01-01

    The occurrence of instabilities, in particular singlet-triplet and singlet-singlet instabilities, in the exact-exchange (EXX) Kohn-Sham method is investigated. Hessian matrices of the EXX electronic energy with respect to the expansion coefficients of the EXX effective Kohn-Sham potential in an auxiliary basis set are derived. The eigenvalues of these Hessian matrices determine whether or not instabilities are present. Similar as in the corresponding Hartree-Fock case instabilities in the EXX method are related to symmetry breaking of the Hamiltonian operator for the EXX orbitals. In the EXX methods symmetry breaking can easily be visualized by displaying the local multiplicative exchange potential. Examples (N 2 , O 2 , and the polyyne C 10 H 2 ) for instabilities and symmetry breaking are discussed. The relation of the stability conditions for EXX methods to approaches calculating the Kohn-Sham correlation energy via the adiabatic-connection fluctuation-dissipation (ACFD) theorem is discussed. The existence or nonexistence of singlet-singlet instabilities in an EXX calculation is shown to indicate whether or not the frequency-integration in the evaluation of the correlation energy is singular in the EXX-ACFD method. This method calculates the Kohn-Sham correlation energy through the ACFD theorem theorem employing besides the Coulomb kernel also the full frequency-dependent exchange kernel and yields highly accurate electronic energies. For the case of singular frequency-integrands in the EXX-ACFD method a regularization is suggested. Finally, we present examples of molecular systems for which the self-consistent field procedure of the EXX as well as the Hartree-Fock method can converge to more than one local minimum depending on the initial conditions

  3. Cu2+ in layered compounds: origin of the compressed geometry in the model system K2ZnF4:Cu2+.

    Science.gov (United States)

    Aramburu, J A; García-Lastra, J M; García-Fernández, P; Barriuso, M T; Moreno, M

    2013-06-17

    Many relevant properties (including superconductivity and colossal magnetoresistance) of layered materials containing Cu(2+), Ag(2+), or Mn(3+) ions are commonly related to the Jahn-Teller instability. Along this line, the properties of the CuF6(4-) complex in the K2ZnF4 layered perovskite have recently been analyzed using a parametrized Jahn-Teller model with an imposed strain [Reinen, D. Inorg. Chem.2012, 51, 4458]. Here, we present results of ab initio periodic supercell and cluster calculations on K2ZnF4:Cu(2+), showing unequivocally that the actual origin of the unusual compressed geometry of the CuF6(4-) complex along the crystal c axis in that tetragonal lattice is due to the presence of an electric field due to the crystal surrounding the impurity. Our calculations closely reproduce the experimental optical spectrum. The calculated values of the equilibrium equatorial and axial Cu(2+)-F(-) distances are, respectively, R(ax) = 193 pm and R(eq) = 204 pm, and so the calculated distortion R(ax) - R(eq) = 11 pm is three times smaller than the estimated through the parametrized Jahn-Teller model. As a salient feature, we find that if the CuF6(4-) complex would assume a perfect octahedral geometry (R(ax) = R(eq) = 203 pm) the antibonding a(1g)*(∼3z(2) - r(2)) orbital is placed above b(1g)*(∼x(2) - y(2)) with a transition energy E((2)A(1g) → (2)B(1g)) = 0.34 eV. This surprising fact stresses that about half the experimental value E((2)A(1g) → (2)B(1g)) = 0.70 eV is not due to the small shortening of the axial Cu(2+)-F(-) distance, but it comes from the electric field, E(R)(r), created by the rest of the lattice ions on the CuF6(4-) complex. This internal field, displaying tetragonal symmetry, is thus responsible for the compressed geometry in K2ZnF4:Cu(2+) and the lack of symmetry breaking behind the ligand relaxation. Moreover, we show that the electronic energy gain in this process comes from bonding orbitals and not from antibonding ones. The present

  4. Assessment of structures and stabilities of defect clusters and surface energies predicted by nine interatomic potentials for UO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Taller, Stephen A. [School of Nuclear Engineering, Purdue University, West Lafayette, IN 47907 (United States); Bai, Xian-Ming, E-mail: xianming.bai@inl.gov [Fuels Modeling and Simulation Department, Idaho National Laboratory, Idaho Falls, ID 83415 (United States)

    2013-11-15

    The irradiation in nuclear reactors creates many point defects and defect clusters in uranium dioxide (UO{sub 2}) and their evolution severely degrades the thermal and mechanical properties of the nuclear fuels. Previously many empirical interatomic potentials have been developed for modeling defect production and evolution in UO{sub 2}. However, the properties of defect clusters and extended defects are usually not fitted into these potentials. In this work nine interatomic potentials for UO{sub 2} are examined by using molecular statics and molecular dynamics to assess their applicability in predicting the properties of various types of defect clusters in UO{sub 2}. The binding energies and structures for these defect clusters have been evaluated for each potential. In addition, the surface energies of voids of different radii and (1 1 0) flat surfaces predicted by these potentials are also evaluated. It is found that both good agreement and significant discrepancies exist for these potentials in predicting these properties. For oxygen interstitial clusters, these potentials predict significantly different defect cluster structures and stabilities; For defect clusters consisting of both uranium and oxygen defects, the prediction is in better agreement; The surface energies predicted by these potentials have significant discrepancies, and some of them are much higher than the experimentally measured values. The results from this work can provide insight on interpreting the outcome of atomistic modeling of defect production using these potentials and may provide guidelines for choosing appropriate potential models to study problems of interest in UO{sub 2}.

  5. Ultralow Parasitic Energy for Postcombustion CO 2 Capture Realized in a Nickel Isonicotinate Metal–Organic Framework with Excellent Moisture Stability

    Energy Technology Data Exchange (ETDEWEB)

    Nandi, Shyamapada; Collins, Sean [Centre; amp, Department of Chemistry; Chakraborty, Debanjan; Banerjee, Debasis [Physical; Thallapally, Praveen K. [Physical; Woo, Tom K. [Centre; amp, Department of Chemistry; Vaidhyanathan, Ramanathan

    2017-01-25

    Metal-organic frameworks (MOFs) have attracted significant attention as solid sorbents in gas separation processes for low-energy postcombustion CO2 capture. The parasitic energy (PE) has been put forward as a holistic parameter that measures how energy efficient (and therefore cost-effective) the CO2 capture process will be using the material. In this work, we present a nickel isonicotinate based ultramicroporous MOF, 1 [Ni-(4PyC)(2)center dot DMF], that has the lowest PE for postcombustion CO, capture reported to date. We calculate a PE of 655 kJ/kg CO2, which is lower than that of the best performing material previously reported, Mg-MOF-74. Further, 1 exhibits exceptional hydrolytic stability with the CO2 adsorption isotherm being unchanged following 7 days of steam-treatment (>85% RH) or 6 months of exposure to the atmosphere. The diffusion coefficient of CO2 in 1 is also 2 orders of magnitude higher than in zeolites currently used in industrial scrubbers. Breakthrough experiments show that 1 only loses 7% of its maximum CO2 capacity under humid conditions.

  6. Interface structure and stabilization of metastable B2-FeSi/Si(111) studied with low-energy electron diffraction and density functional theory

    International Nuclear Information System (INIS)

    Walter, S; Blobner, F; Krause, M; Mueller, S; Heinz, K; Starke, U

    2003-01-01

    We present a combined experimental and theoretical investigation of the interface between a B2-type FeSi film and Si(111). Using an ultra-thin B2-FeSi film grown on Si(111), the interface is still reached by electrons, so quantitative low-energy electron diffraction (LEED) could be applied to determine the bonding geometry experimentally. As a result, the local configuration at the shallow buried interface is characterized by near-substrate Fe atoms being 8-fold coordinated to Si atoms and by the silicide unit cell being rotated by 180 deg. with respect to the Si unit cell (B8 configuration). The interface energetics were explored by total-energy calculations using density functional theory (DFT). The B8-type interface proves to be the most stable one, consistent with the experimental findings. The atomic geometries obtained experimentally (LEED) and theoretically (DFT) agree within the limits of errors. Additionally, the calculations explain the stabilization of the B2 phase, which is unstable as bulk material: the analysis of the elastic behaviour reveals a reversed energy hierarchy of B2 and the bulk stable B20 phase when epitaxial growth on Si(111) is enforced

  7. High-energy asymmetric supercapacitors based on free-standing hierarchical Co-Mo-S nanosheets with enhanced cycling stability.

    Science.gov (United States)

    Balamurugan, Jayaraman; Li, Chao; Peera, Shaik Gouse; Kim, Nam Hoon; Lee, Joong Hee

    2017-09-21

    Layered transition metal sulfides (TMS) are emerging as advanced materials for energy storage and conversion applications. In this work, we report a facile and cost-effective anion exchange technique to fabricate a layered, multifaceted, free standing, ultra-thin ternary cobalt molybdenum sulfide nanosheet (Co-Mo-S NS) architecture grown on a 3D porous Ni foam substrate. The unique Co-Mo layered double hydroxides are first synthesized as precursors and consequently transformed into ultra-thin Co-Mo-S NS. When employed as an electrode for supercapacitors, the Co-Mo-S NS delivered an ultra-high specific capacitance of 2343 F g -1 at a current density of 1 mA cm -2 with tremendous rate capability and extraordinary cycling performance (96.6% capacitance retention after 20 000 cycles). Furthermore, assembled Co-Mo-S/nitrogen doped graphene nanosheets (NGNS) in an asymmetric supercapacitor (ASC) device delivered an excellent energy density of 89.6 Wh kg -1 , an amazing power density of 20.07 kW kg -1 , and superior cycling performance (86.8% capacitance retention after 50 000 cycles). Such exceptional electrochemical performance of Co-Mo-S NS is ascribed to the good electrical contact with the 3D Ni foam, ultra-high contact area with the electrolyte, and enhanced architectural softening during the charging/discharging process. It is expected that the fabricated, unique, ultra-thin Co-Mo-S NS have great potential for future energy storage devices.

  8. Enhanced thermal properties of novel shape-stabilized PEG composite phase change materials with radial mesoporous silica sphere for thermal energy storage.

    Science.gov (United States)

    Min, Xin; Fang, Minghao; Huang, Zhaohui; Liu, Yan'gai; Huang, Yaoting; Wen, Ruilong; Qian, Tingting; Wu, Xiaowen

    2015-08-11

    Radial mesoporous silica (RMS) sphere was tailor-made for further applications in producing shape-stabilized composite phase change materials (ss-CPCMs) through a facile self-assembly process using CTAB as the main template and TEOS as SiO2 precursor. Novel ss-CPCMs composed of polyethylene glycol (PEG) and RMS were prepared through vacuum impregnating method. Various techniques were employed to characterize the structural and thermal properties of the ss-CPCMs. The DSC results indicated that the PEG/RMS ss-CPCM was a promising candidate for building thermal energy storage applications due to its large latent heat, suitable phase change temperature, good thermal reliability, as well as the excellent chemical compatibility and thermal stability. Importantly, the possible formation mechanisms of both RMS sphere and PEG/RMS composite have also been proposed. The results also indicated that the properties of the PEG/RMS ss-CPCMs are influenced by the adsorption limitation of the PEG molecule from RMS sphere with mesoporous structure and the effect of RMS, as the impurities, on the perfect crystallization of PEG.

  9. Nanoporous gold synthesized by plasma-assisted inert gas condensation: room temperature sintering, nanoscale mechanical properties and stability against high energy electron irradiation

    Science.gov (United States)

    Weyrauch, S.; Wagner, C.; Suckfuell, C.; Lotnyk, A.; Knolle, W.; Gerlach, J. W.; Mayr, S. G.

    2018-02-01

    With a plasma assisted gas condensation system it is possible to achieve high-purity nanoporous Au (np-Au) structures with minimal contaminations and impurities. The structures consist of single Au-nanoparticles, which partially sintered together due to their high surface to volume ratio. Through electron microscopy investigations a porosity  >50% with ligament sizes between 20-30 nm was revealed. The elastic modulus of the np-Au was determined via peak force quantitative nanomechanical mapping and resulted in values of 7.5  ±  1.5 GPa. The presented structures partially sintered at room temperature, but proved to be stable to electron irradiation with energies of 7 MeV up to doses of 100 MGy. The electron irradiation stability opens the venue for electron assisted functionalization with biomolecules.

  10. Low concentration graphene nanoplatelets for shape stabilization and thermal transfer reinforcement of Mannitol: a phase change material for a medium-temperature thermal energy system

    Science.gov (United States)

    Jing, Gu; Dehong, Xia; Li, Wang; Wenqing, Ao; Zhaodong, Qi

    2018-03-01

    We report herein a novel series of Mannitol/GNPs (graphene nanoplatelets) composites with incremental GNPs loadings from 1 wt% to 10 wt% for further applications in medium-temperature thermal energy system. The phase change behavior and thermal conductivity of Mannitol/GNPs composite, a nanostructured PCM, have been evaluated as a function of GNPs content. Compared to the pristine Mannitol, the resultant stabilized composite with 8 wt% of GNPs displays an extremely high 1054% enhancement in thermal conductivity, and inherits 92% of phase change enthalpy of bulk Mannitol PCM (phase change material). More importantly, 92%Mannitol/GNPs composite still preserves its initial shape without any leakage even when subjected to a 400 consecutive melting/re-solidification cycles. The resulting Mannitol composites exhibit excellent chemical compatibility, large phase change enthalpy and improved thermal reliability, as compared to base PCM, which stands distinct in its class of organic with reference to the past literatures.

  11. Simultaneous Enhancement of Efficiency and Stability of Phosphorescent OLEDs Based on Efficient Förster Energy Transfer from Interface Exciplex.

    Science.gov (United States)

    Zhang, Dongdong; Cai, Minghan; Zhang, Yunge; Bin, Zhengyang; Zhang, Deqiang; Duan, Lian

    2016-02-17

    Exciplex forming cohosts have been widely adopted in phosphorescent organic light-emitting diodes (PHOLEDs), achieving high efficiency with low roll-off and low driving voltage. However, the influence of the exciplex-forming hosts on the lifetimes of the devices, which is one of the essential characteristics, remains unclear. Here, we compare the influence of the bulk exciplex and interface exciplex on the performances of the devices, demonstrating highly efficient orange PHOLEDs with long lifetime at low dopant concentration by efficient Förster energy transfer from the interface exciplex. A bipolar host, (3'-(4,6-diphenyl-1,3,5-triazin-2-yl)-(1,1'-biphenyl)-3-yl)-9-carbazole (CzTrz), was adopted to combine with a donor molecule, tris(4-(9H-carbazol-9-yl)phenyl)amine (TCTA), to form exciplex. Devices with energy transfer from the interface exciplex achieve lifetime almost 2 orders of magnitude higher than the ones based on bulk exciplex as the host by avoiding the formation of the donor excited states. Moreover, a highest EQE of 27% was obtained at the dopant concentration as low as 3 wt % for a device with interface exciplex, which is favorable for reducing the cost of fabrication. We believe that our work may shed light on future development of ideal OLEDs with high efficiency, long-lifetime, low roll-off and low cost simultaneously.

  12. Avoided economic impacts of energy demand changes by 1.5 and 2 °C climate stabilization

    Science.gov (United States)

    Park, Chan; Fujimori, Shinichiro; Hasegawa, Tomoko; Takakura, Jun’ya; Takahashi, Kiyoshi; Hijioka, Yasuaki

    2018-04-01

    Energy demand associated with space heating and cooling is expected to be affected by climate change. There are several global projections of space heating and cooling use that take into consideration climate change, but a comprehensive uncertainty of socioeconomic and climate conditions, including a 1.5 °C global mean temperature change, has never been assessed. This paper shows the economic impact of changes in energy demand for space heating and cooling under multiple socioeconomic and climatic conditions. We use three shared socioeconomic pathways as socioeconomic conditions. For climate conditions, we use two representative concentration pathways that correspond to 4.0 °C and 2.0 °C scenarios, and a 1.5 °C scenario driven from the 2.0 °C scenario with assumption in conjunction with five general circulation models. We find that the economic impacts of climate change are largely affected by socioeconomic assumptions, and global GDP change rates range from +0.21% to ‑2.01% in 2100 under the 4.0 °C scenario, depending on the socioeconomic condition. Sensitivity analysis that differentiates the thresholds of heating and cooling degree days clarifies that the threshold is a strong factor that generates these differences. Meanwhile, the impact of the 1.5 °C is small regardless of socioeconomic assumptions (‑0.02% to ‑0.06%). The economic loss caused by differences in socioeconomic assumption under the 1.5 °C scenario is much smaller than that under the 2 °C scenario, which implies that stringent climate mitigation can work as a risk hedge to socioeconomic development diversity.

  13. Energy

    International Nuclear Information System (INIS)

    Bobin, J.L.

    1996-01-01

    Object of sciences and technologies, energy plays a major part in economics and relations between nations. Jean-Louis Bobin, physicist, analyses the relations between man and energy and wonders about fears that delivers nowadays technologies bound to nuclear energy and about the fear of a possible shortage of energy resources. (N.C.). 17 refs., 14 figs., 2 tabs

  14. Dynamics of the lattice and spins in the phase-separated manganite (Eu{sub 1−x}Gd{sub x}){sub 0.6}Sr{sub 0.4}MnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Taniguchi, Haruka, E-mail: tanig@iwate-u.ac.jp [Department of Physical Science and Materials Engineering, Iwate University, Morioka 020-8551 (Japan); Kimura, Daichi; Matsukawa, Michiaki; Inomata, Tasuku; Kobayashi, Satoru [Department of Physical Science and Materials Engineering, Iwate University, Morioka 020-8551 (Japan); Nimori, Shigeki [National Institute for Materials Science, Tsukuba 305-0047 (Japan); Suryanarayanan, Ramanathaan [Laboratoire de Physico-Chimie de l’Etat Solide, CNRS, UMR8182, Université Paris-Sud, 91405 Orsay (France)

    2017-06-15

    We investigated slow relaxations of the magnetostriction and residual magnetostriction of the phase-separated system (Eu{sub 1−x}Gd{sub x}){sub 0.6}Sr{sub 0.4}MnO{sub 3}, in which the metamagnetic transition from a paramagnetic insulating state to a ferromagnetic metallic state is accompanied by a lattice shrinkage. The relaxations are well fitted by a stretched exponential function, suggesting the strong frustration between the double exchange interaction and Jahn-Teller effect. We have revealed that the Gd substitution suppresses the frozen phase-separated phase at low temperatures and stabilizes the paramagnetic insulating state in the dynamic phase-separated phase at intermediate temperatures. The former origin would be the randomness effect and the latter would be the suppression of the double exchange interaction.

  15. Complex-forming capacity of some biologically active imidazoles

    Energy Technology Data Exchange (ETDEWEB)

    Lenarcik, B; Wisniewski, M

    1983-01-01

    By using the potentiometric and spectrophotometric methods, formation of Co(2), Cu(2), Zn(2), Ni(2) and Cd(2) complexes of (3S-cis)-3-ethyl-dihydro-4-((1-methyl-1H-imidazol-5-yl)-methyl)-2(3H)-furanone (pilocarpine, PLC), 4,5-dihydro-2-(phenylmethyl)-1H-imidazole (tolazoline, TLZ), 2-methyl-5-nitro-1H-imidazole-1-ethanol (metronidazole, MET) and 1H-imidazole-4-ethanamine (histamine, HIST) was investigated. The stability constants, ..beta../sub n/, of these complexes were determined. It was shown that the electron-donor strength of the ligands was controlled by the heterocyclic nitrogen atom, and that the formation of the Zn(2)-PLC complex was accompanied by the change in the structure of the coordination sphere of the metal. With Cu(2), the PLC and TLZ ligands were shown to enhance the Jahn-Teller deformation.

  16. Cable Stability

    Energy Technology Data Exchange (ETDEWEB)

    Bottura, L [European Organization for Nuclear Research, Geneva (Switzerland)

    2014-07-01

    Superconductor stability is at the core of the design of any successful cable and magnet application. This chapter reviews the initial understanding of the stability mechanism, and reviews matters of importance for stability such as the nature and magnitude of the perturbation spectrum and the cooling mechanisms. Various stability strategies are studied, providing criteria that depend on the desired design and operating conditions.

  17. Energy

    CERN Document Server

    Foland, Andrew Dean

    2007-01-01

    Energy is the central concept of physics. Unable to be created or destroyed but transformable from one form to another, energy ultimately determines what is and isn''t possible in our universe. This book gives readers an appreciation for the limits of energy and the quantities of energy in the world around them. This fascinating book explores the major forms of energy: kinetic, potential, electrical, chemical, thermal, and nuclear.

  18. Effects of mutants in bHLH region on structure stability and protein-DNA binding energy in DECs.

    Science.gov (United States)

    Kong, Yi; Wang, Zhen; Jia, Yanfei; Li, Ping; Hao, Shuhua; Wang, Yunshan

    2017-07-01

    The human DEC subfamily contains two highly conserved members belonging to basic helix-loop-helix (bHLH) transcription factors. This conserved family is spread widely among various species with the function of regulating various crucial molecular signaling pathways. Due to the significance of DECs for important biological processes, their relationship with diseases and the lack of experimentally proven structures, we have implemented a comparative modeling for the bHLH region of DECs as homodimers with themselves and heterodimers with HES-1. Three mutants with predicted roles in reducing intramolecular binding (H57A, R65A, and LL7879AA in DEC1 and LL7071AA in DEC2) were investigated on DEC monomers. Molecular dynamics (MD) simulations were also employed to evaluate the behavior of the mutant molecules in aqueous solution. The monomer was divided into subregions for accurate investigation. The fluctuation in the basic region of mutants was higher than that of wild-type molecules. The binding energy value between protein and DNA obviously increased in the homodimer harboring R65A mutants, which led to more unstable status between protein and DNA. Thus, the mutant R65A interfered DNA-binding affinity. A study on the spatial structures of wild-type and mutant DECs may facilitate functional prediction for mutation effects and dynamic behavior under various conditions and may ultimately help in targeted drug design.

  19. Stability of matter

    International Nuclear Information System (INIS)

    Thirring, W.

    1985-01-01

    Basing on quantum mechanics and the simple Hamiltonian consisting of kinetic energy and Coulomb potential, heuristic arguments and estimates are used to guess the essential stability properties of many-particle systems. In view of applications in astrophysics, gravitation as a second potential and thermodynamic arguments are added. The guesses thus obtained are confronted with known exact results. The connection between the stabilities against explosion and against implosion, and thermodynamic stability is considered. In systems with a particle number larger than approx= 10 54 (corresponding to the Jupiter mass) gravitational energy prevails over the electrostatic energy and determines the history of a star. Negative specific heat accompanies life and death of a star. Finally the role of stability and instability in the universe for life is outlined. (G.Q.)

  20. Control Strategy of an Impulse Turbine for an Oscillating Water Column-Wave Energy Converter in Time-Domain Using Lyapunov Stability Method

    Directory of Open Access Journals (Sweden)

    Seung Kwan Song

    2016-10-01

    Full Text Available We present two control strategies for an oscillating water column-wave energy converter (OWC-WEC in the time domain. We consider a fixed OWC-WEC on the open sea with an impulse turbine module. This system mainly consists of a chamber, turbine and electric generator. For the time domain analysis, all of the conversion stages considering mutualities among them should be analyzed based on the Newtonian mechanics. According to the analysis of Newtonian mechanics, the hydrodynamics of wave energy absorption in the chamber and the turbine aerodynamic performance are directly coupled and share the internal air pressure term via the incompressible air assumption. The turbine aerodynamics and the dynamics of the electric generator are connected by torque load through the rotor shaft, which depends on an electric terminal load that acts as a control input. The proposed control strategies are an instant maximum turbine efficiency tracking control and a constant angular velocity of the turbine rotor control methods. Both are derived by Lyapunov stability analysis. Numerical simulations are carried out under irregular waves with various heights and periods in the time domain, and the results with the controllers are analyzed. We then compare these results with simulations carried out in the absence of the control strategy in order to prove the performance of the controllers.

  1. Probing cycle stability and reversibility in thermochemical energy storage – CaC_2O_4·H_2O as perfect match?

    International Nuclear Information System (INIS)

    Knoll, Christian; Müller, Danny; Artner, Werner; Welch, Jan M.; Werner, Andreas; Harasek, Michael; Weinberger, Peter

    2017-01-01

    Highlights: • CaC_2O_4·H_2O dehydration is fully reversible between 25 °C and 200 °C. • Isothermal cycling between hydrate and anhydrate phase can be triggered by the water vapour concentration. • High reaction rates and full reversibility demonstrated over 100 cycles. • Material shows no ageing effects or reactivity decrease. - Abstract: The dehydration and subsequent rehydration of calcium oxalate monohydrate has yet to find application in thermochemical energy storage. Unlike for many other salt hydrates, complete reversibility of the dehydration-rehydration reaction was observed. Additionally, it was found that the rehydration temperature is strongly affected by the water vapour concentration: Full reversibility is not only achieved at room-temperature, but, depending on the water vapour concentration, at up to 200 °C. This allows isothermal switching of the material between charging and discharging by a change of the H_2O-partial pressure. Cycle stability of the material was tested by a long-term stress experiment involving 100 charging and discharging cycles. No signs of material fatigue or reactivity loss were found. In-situ powder X-ray diffraction showed complete rehydration of the material within 300 s. The experimental findings indicate that the CaC_2O_4·H_2O/CaC_2O_4 system is perfectly suited for technical application as a thermochemical energy storage medium.

  2. Structural features and electronic properties of group-III-, group-IV-, and group-V-doped Si nanocrystallites

    International Nuclear Information System (INIS)

    Ramos, L E; Degoli, Elena; Cantele, G; Ossicini, Stefano; Ninno, D; Furthmueller, J; Bechstedt, F

    2007-01-01

    We investigate the incorporation of group-III (B and Al), group-IV (C and Ge), and group-V (N and P) impurities in Si nanocrystallites. The structural features and electronic properties of doped Si nanocrystallites, which are faceted or spherical-like, are studied by means of an ab initio pseudopotential method including spin polarization. Jahn-Teller distortions occur in the neighborhood of the impurity sites and the bond lengths show a dependence on size and shape of the nanocrystallites. We find that the acceptor (group-III) and donor (group-V) levels become deep as the nanocrystallites become small. The energy difference between the spin-up and spin-down levels of group-III and group-V impurities decreases as the size of the Si nanocrystallite increases and tends to the value calculated for Si bulk. Doping with carbon introduces an impurity-related level in the energy gap of the Si nanocrystallites

  3. Theoretical formulation of optical conductivity of La0.7Ca0.3MnO3 exhibiting paramagnetic insulator - ferromagnetic metal transition

    Science.gov (United States)

    Satiawati, L.; Majidi, M. A.

    2017-07-01

    A theory of high-energy optical conductivity of La0.7Ca0.3MnO3 has been proposed previously. The proposed theory works to explain the temperature-dependence of the optical conductivity for the photon energy region above ˜0.5 eV for up to ˜22 eV, but fails to capture the correct physics close to the dc limit in which metal-insulator transition occurs. The missing physics at the low energy has been acknowledged as mainly due to not incorporating phonon degree of freedom and electron-phonon interactions. In this study, we aim to complete the above theory by proposing a more complete Hamiltonian incorporating additional terms such as crystal field, two modes of Jahn-Teller vibrations, and coupling between electrons and the two Jahn-Teller vibrational modes. We solve the model by means of dynamical mean-field theory. At this stage, we aim to derive the analytical formulae involved in the calculation, and formulate the algorithmic implementation for the self-consistent calculation process. Our final goal is to compute the density of states and the optical conductivity for the complete photon energy range from 0 to 22 eV at various temperatures, and compare them with the experimental data. We expect that the improved model preserves the correct temperature-dependent physics at high photon energies, as already captured by the previous model, while it would also reveal ferromagnetic metal - paramagnetic insulator transition at the dc limit.

  4. Elements of magnetohydrodynamic stability theory

    International Nuclear Information System (INIS)

    Spies, G.O.

    1976-11-01

    The nonlinear equations of ideal magnetohydrodynamics are discussed along with the following topics: (1) static equilibrium, (2) strict linear theory, (3) stability of a system with one degree of freedom, (4) spectrum and variational principles in magnetohydrodynamics, (5) elementary proof of the modified energy principle, (6) sufficient stability criteria, (7) local stability, and (8) normal modes

  5. Energy

    CERN Document Server

    Robertson, William C

    2002-01-01

    Confounded by kinetic energy? Suspect that teaching about simple machines isn t really so simple? Exasperated by electricity? If you fear the study of energy is beyond you, this entertaining book will do more than introduce you to the topic. It will help you actually understand it. At the book s heart are easy-to-grasp explanations of energy basics work, kinetic energy, potential energy, and the transformation of energy and energy as it relates to simple machines, heat energy, temperature, and heat transfer. Irreverent author Bill Robertson suggests activities that bring the basic concepts of energy to life with common household objects. Each chapter ends with a summary and an applications section that uses practical examples such as roller coasters and home heating systems to explain energy transformations and convection cells. The final chapter brings together key concepts in an easy-to-grasp explanation of how electricity is generated. Energy is the second book in the Stop Faking It! series published by NS...

  6. DFT calculations of the structures and vibrational spectra of the [Fe(bpy){sub 3}]{sup 2+} and [Ru(bpy){sub 3}]{sup 2+} complexes

    Energy Technology Data Exchange (ETDEWEB)

    Alexander, Bruce D. [School of Science, University of Greenwich at Medway, Central Avenue, Chatham Maritime, Kent ME4 4TB (United Kingdom); Dines, Trevor J. [Division of Electronic Engineering and Physics, University of Dundee, Dundee DD1 4HN (United Kingdom)], E-mail: t.j.dines@dundee.ac.uk; Longhurst, Rayne W. [Division of Electronic Engineering and Physics, University of Dundee, Dundee DD1 4HN (United Kingdom)

    2008-09-03

    Structures of the [M(bpy){sub 3}]{sup 2+} complexes (M = Fe and Ru) have been calculated at the B3-LYP/DZVP level. IR and Raman spectra were calculated using the optimised geometries, employing a scaled quantum chemical force field, and compared with an earlier normal coordinate analysis of [Ru(bpy){sub 3}]{sup 2+} which was based upon experimental data alone, and the use of a simplified model. The results of the calculations provide a highly satisfactory fit to the experimental data and the normal coordinate analyses, in terms of potential energy distributions, allow a detailed understanding of the vibrational spectra of both complexes. Evidence is presented for Jahn-Teller distortion in the {sup 1}E MLCT excited state.

  7. DFT calculations of the structures and vibrational spectra of the [Fe(bpy)3]2+ and [Ru(bpy)3]2+ complexes

    International Nuclear Information System (INIS)

    Alexander, Bruce D.; Dines, Trevor J.; Longhurst, Rayne W.

    2008-01-01

    Structures of the [M(bpy) 3 ] 2+ complexes (M = Fe and Ru) have been calculated at the B3-LYP/DZVP level. IR and Raman spectra were calculated using the optimised geometries, employing a scaled quantum chemical force field, and compared with an earlier normal coordinate analysis of [Ru(bpy) 3 ] 2+ which was based upon experimental data alone, and the use of a simplified model. The results of the calculations provide a highly satisfactory fit to the experimental data and the normal coordinate analyses, in terms of potential energy distributions, allow a detailed understanding of the vibrational spectra of both complexes. Evidence is presented for Jahn-Teller distortion in the 1 E MLCT excited state

  8. DFT calculations of the structures and vibrational spectra of the [Fe(bpy) 3] 2+ and [Ru(bpy) 3] 2+ complexes

    Science.gov (United States)

    Alexander, Bruce D.; Dines, Trevor J.; Longhurst, Rayne W.

    2008-09-01

    Structures of the [M(bpy) 3] 2+ complexes (M = Fe and Ru) have been calculated at the B3-LYP/DZVP level. IR and Raman spectra were calculated using the optimised geometries, employing a scaled quantum chemical force field, and compared with an earlier normal coordinate analysis of [Ru(bpy) 3] 2+ which was based upon experimental data alone, and the use of a simplified model. The results of the calculations provide a highly satisfactory fit to the experimental data and the normal coordinate analyses, in terms of potential energy distributions, allow a detailed understanding of the vibrational spectra of both complexes. Evidence is presented for Jahn-Teller distortion in the 1E MLCT excited state.

  9. Experimental elucidation: microscopic mechanism of resonant X-ray scattering in manganite films

    CERN Document Server

    Ohsumi, H; Kiyama, T

    2003-01-01

    Resonant X-ray scattering experiments have been performed on perovskite manganite La sub 0 sub . sub 5 Sr sub 0 sub . sub 5 MnO sub 3 thin films, which are grown on three distinct perovskite with a coherent epitaxial strain and have a forced ferro-type orbital ordering of Mn 3d orbitals. Using an interference technique, we have successfully observed the resonant X-ray scattering signal from the system having the ferro-type orbital ordering and also revealed the energy scheme of Mn 4p bands. For the forced ferro-type orbital ordering system, the present results evidence that the resonant X-ray scattering signal originates from the band structure effect due to the Jahn-Teller distortion of a MnO sub 6 octahedron, and not from the Coulomb interaction between 3d and 4p electrons. (author)

  10. Local hydrated structure of an Fe2+/Fe3+ aqueous solution: an investigation using a combination of molecular dynamics and X-ray absorption fine structure methods

    International Nuclear Information System (INIS)

    Ye Qing; Zhou Jing; Zhao Haifeng; Chen Xing; Chu Wangsheng; Zheng Xusheng; Marcelli, Augusto; Wu Ziyu

    2013-01-01

    The hydrated shell of both Fe 2+ and Fe 3+ aqueous solutions are investigated by using the molecular dynamics (MD) and X-ray absorption structure (XAS) methods. The MD simulations show that the first hydrated shells of both Fe 2+ and Fe 3+ are characterized by a regular octahedron with an Fe-O distance of 2.08Å for Fe 2+ and 1.96Å for Fe 3+ , and rule out the occurrence of a Jahn-Teller distortion in the hydrated shell of an Fe 2+ aqueous solution. The corresponding X-ray absorption near edge fine structure (XANES) calculation successfully reproduces all features in the XANES spectra in Fe 2+ and Fe 3+ aqueous solution. A feature that is located at energy 1 eV higher than the white line (WL) in an Fe 3+ aqueous solution may be assigned to the contribution of the charge transfer. (authors)

  11. A study of the valence shell electronic states of s-triazine by photoabsorption spectroscopy and ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Holland, D.M.P., E-mail: david.holland@stfc.ac.uk [Daresbury Laboratory, Daresbury, Warrington, Cheshire WA4 4AD (United Kingdom); Shaw, D.A. [Daresbury Laboratory, Daresbury, Warrington, Cheshire WA4 4AD (United Kingdom); Stener, M.; Decleva, P. [Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, Via L. Giorgieri, I-34127 Trieste (Italy); Consorzio Interuniversitario Nazionale per la Scienze e Tecnologia dei Materiali, INSTM, Unità di Trieste (Italy); CNR-IOM, Trieste (Italy); Coriani, S. [Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, Via L. Giorgieri, I-34127 Trieste (Italy); Consorzio Interuniversitario Nazionale per la Scienze e Tecnologia dei Materiali, INSTM, Unità di Trieste (Italy); Aarhus Institute of Advanced Studies, Aarhus University, 8000 Aarhus C (Denmark)

    2016-09-30

    Highlights: • The valence shell photoabsorption spectrum of s-triazine has been measured. • Electronic structure calculated with TDDFT and coupled cluster approaches. • Assignments proposed for Rydberg and valence states. • Mixing between Rydberg and valence states important. - Abstract: The absolute photoabsorption cross section of s-triazine has been measured between 4 and 40 eV, and is dominated by bands associated with valence states. Structure due to Rydberg excitations is both weak and irregular. Jahn-Teller interactions affect the vibronic structure observed in the Rydberg absorption bands due to excitation from the 1e″ or 6e′ orbitals. The interpretation of the experimental spectrum has been guided by transition energies and oscillator strengths, for Rydberg and valence states, calculated with the time-dependent version of density functional theory and with the coupled cluster linear response approach. The theoretical studies indicate that Rydberg/Rydberg and Rydberg/valence mixing is important.

  12. Lattice Distortion Mediated Paramagnetic Relaxation in High-Spin High-Symmetry Molecular Magnets

    Science.gov (United States)

    Garg, Anupam

    1998-08-01

    Field-dependent maxima in the relaxation rate of the magnetic molecules Mn12-Ac and Fe8-tacn have commonly been ascribed to some resonant tunneling phenomena. We argue instead that the relaxation is purely due to phonons. The rate maxima arise because of a Jahn-Teller-like distortion caused by the coupling of phonons to degenerate Zeeman levels of the molecule at the top of the barrier. The binding energy of the distorted intermediate states lowers the barrier height and increases the relaxation rate. A nonperturbative calculation of this effect is carried out for a model system. An approximate result for the field variation near a maximum is found to agree reasonably with experiment.

  13. Prediction of two-dimensional diluted magnetic semiconductors: Doped monolayer MoS2 systems

    KAUST Repository

    Cheng, Yingchun

    2013-03-05

    Using first-principles calculations, we propose a two-dimensional diluted magnetic semiconductor: monolayer MoS2 doped by transition metals. Doping of transition metal atoms from the IIIB to VIB groups results in nonmagnetic states, since the number of valence electrons is smaller or equal to that of Mo. Doping of atoms from the VIIB to IIB groups becomes energetically less and less favorable. Magnetism is observed for Mn, Fe, Co, Zn, Cd, and Hg doping, while for the other dopants from these groups it is suppressed by Jahn-Teller distortions. Analysis of the binding energies and magnetic properties indicates that (Mo,X)S2 (X=Mn, Fe, Co, and Zn) are promising systems to explore two-dimensional diluted magnetic semiconductors.

  14. Energy

    International Nuclear Information System (INIS)

    1975-10-01

    On the occasion of the World Environment Day the Norwegian Ministry for the Environment held a conference on growth problems in energy consumption. The themes which were treated were energy conservation, hydroelectric power, the role of nuclear power, radioactive waste disposal, fossil fuel resources, ecological limits, pollution and international aspects. Nuclear energy forms the main theme of one lecture and an aspect of several others. (JIW)

  15. Energy

    OpenAIRE

    Torriti, Jacopo

    2016-01-01

    The impact of energy policy measures has been assessed with various appraisal and evaluation tools since the 1960s. Decision analysis, environmental impact assessment and strategic environmental assessment are all notable examples of progenitors of Regulatory Impact Assessment (RIA) in the assessment of energy policies, programmes and projects. This chapter provides overview of policy tools which have been historically applied to assess the impacts of energy policies, programmes and projects....

  16. Energies

    International Nuclear Information System (INIS)

    2003-01-01

    In the framework of the National Debate on the energies in a context of a sustainable development some associations for the environment organized a debate on the nuclear interest facing the renewable energies. The first part presents the nuclear energy as a possible solution to fight against the greenhouse effect and the associated problem of the wastes management. The second part gives information on the solar energy and the possibilities of heat and electric power production. A presentation of the FEE (French wind power association) on the situation and the development of the wind power in France, is also provided. (A.L.B.)

  17. An extended action for the effective field theory of dark energy: a stability analysis and a complete guide to the mapping at the basis of EFTCAMB

    International Nuclear Information System (INIS)

    Frusciante, Noemi; Papadomanolakis, Georgios; Silvestri, Alessandra

    2016-01-01

    We present a generalization of the effective field theory (EFT) formalism for dark energy and modified gravity models to include operators with higher order spatial derivatives. This allows the extension of the EFT framework to a wider class of gravity theories such as Hořava gravity. We present the corresponding extended action, both in the EFT and the Arnowitt-Deser-Misner (ADM) formalism, and proceed to work out a convenient mapping between the two, providing a self contained and general procedure to translate a given model of gravity into the EFT language at the basis of the Einstein-Boltzmann solver EFTCAMB. Putting this mapping at work, we illustrate, for several interesting models of dark energy and modified gravity, how to express them in the ADM notation and then map them into the EFT formalism. We also provide for the first time, the full mapping of GLPV models into the EFT framework. We next perform a thorough analysis of the physical stability of the generalized EFT action, in absence of matter components. We work out viability conditions that correspond to the absence of ghosts and modes that propagate with a negative speed of sound in the scalar and tensor sector, as well as the absence of tachyonic modes in the scalar sector. Finally, we extend and generalize the phenomenological basis in terms of α-functions introduced to parametrize Horndeski models, to cover all theories with higher order spatial derivatives included in our extended action. We elaborate on the impact of the additional functions on physical quantities, such as the kinetic term and the speeds of propagation for scalar and tensor modes.

  18. QM/MM Free Energy Simulations of Salicylic Acid Methyltransferase: Effects of Stabilization of TS-like Structures on Substrate Specificity

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Jianzhuang [University of Tennessee, Knoxville (UTK); Xu, Qin [University of Tennessee, Knoxville (UTK); Chen, Feng [University of Tennessee, Knoxville (UTK); Guo, Hong [University of Tennessee, Knoxville (UTK)

    2010-01-01

    Salicylic acid methyltransferases (SAMTs) synthesize methyl salicylate (MeSA) using salicylate as the substrate. MeSA synthesized in plants may function as an airborne signal to activate the expression of defense-related genes and could also be a critical mobile signaling molecule that travels from the site of plant infection to establish systemic immunity in the induction of disease resistance. Here the results of QM/MM free energy simulations for the methyl transfer process in Clarkia breweri SAMT (CbSAMT) are reported to determine the origin of the substrate specificity of SAMTs. The free energy barrier for the methyl transfer from S-adenosyl-l-methionine (AdoMet) to 4-hydroxybenzoate in CbSAMT is found to be about 5 kcal/mol higher than that from AdoMet to salicylate, consistent with the experimental observations. It is suggested that the relatively high efficiency for the methylation of salicylate compared to 4-hydroxybenzoate is due, at least in part, to the reason that a part of the stabilization of the transition state (TS) configuration is already reflected in the reactant complex, presumably, through the binding. The results seem to indicate that the creation of the substrate complex (e.g., through mutagenesis and substrate modifications) with its structure closely resembling TS might be fruitful for improving the catalytic efficiency for some enzymes. The results show that the computer simulations may provide important insights into the origin of the substrate specificity for the SABATH family and could be used to help experimental efforts in generating engineered enzymes with altered substrate specificity.

  19. Incorporation of low energy activated nitrogen onto HOPG surface: Chemical states and thermal stability studies by in-situ XPS and Raman spectroscopy

    Science.gov (United States)

    Chandran, Maneesh; Shasha, Michal; Michaelson, Shaul; Hoffman, Alon

    2016-09-01

    In this paper we report the chemical states analysis of activated nitrogen incorporated highly oriented pyrolytic graphite (HOPG) surface under well-controlled conditions. Nitrogen incorporation is carried out by two different processes: an indirect RF nitrogen plasma and low energy (1 keV) N2+ implantation. Bonding configuration, concentration and thermal stability of the incorporated nitrogen species by aforesaid processes are systematically compared by in-situ X-ray photoelectron spectroscopy (XPS). Relatively large concentration of nitrogen is incorporated onto RF nitride HOPG surface (16.2 at.%), compared to N2+ implanted HOPG surface (7.7 at.%). The evolution of N 1s components (N1, N2, N3) with annealing temperature is comprehensively discussed, which indicates that the formation and reorganization of local chemical bonding states are determined by the process of nitridation and not by the prior chemical conditioning (i.e., amorphization or hydrogenation) of the HOPG surface. A combined XPS and Raman spectroscopy studies revealed that N2+ implantation process resulted in a high level of defects to the HOPG surface, which cannot be annealed-out by heat treatment up to 1000 °C. On the other hand, the RF nitrogen plasma process did not produce a high level of surface defects, while incorporating nearly the same amount of stable nitrogen species.

  20. Fenproporex increases locomotor activity and alters energy metabolism, and mood stabilizers reverse these changes: a proposal for a new animal model of mania.

    Science.gov (United States)

    Rezin, Gislaine T; Furlanetto, Camila B; Scaini, Giselli; Valvassori, Samira S; Gonçalves, Cinara L; Ferreira, Gabriela K; Jeremias, Isabela C; Resende, Wilson R; Cardoso, Mariane R; Varela, Roger B; Quevedo, João; Streck, Emilio L

    2014-04-01

    Fenproporex (Fen) is converted in vivo into amphetamine, which is used to induce mania-like behaviors in animals. In the present study, we intend to present a new animal model of mania. In order to prove through face, construct, and predictive validities, we evaluated behavioral parameters (locomotor activity, stereotypy activity, and fecal boli amount) and brain energy metabolism (enzymes citrate synthase; malate dehydrogenase; succinate dehydrogenase; complexes I, II, II-III, and IV of the mitochondrial respiratory chain; and creatine kinase) in rats submitted to acute and chronic administration of fenproporex, treated with lithium (Li) and valproate (VPA). The administration of Fen increased locomotor activity and decreased the activity of Krebs cycle enzymes, mitochondrial respiratory chain complexes, and creatine kinase, in most brain structures evaluated. In addition, treatment with mood stabilizers prevented and reversed this effect. Our results are consistent with the literature that demonstrates behavioral changes and mitochondrial dysfunction caused by psychostimulants. These findings suggest that chronic administration of Fen may be a potential animal model of mania.

  1. Cation and anion dependence of stable geometries and stabilization energies of alkali metal cation complexes with FSA(-), FTA(-), and TFSA(-) anions: relationship with physicochemical properties of molten salts.

    Science.gov (United States)

    Tsuzuki, Seiji; Kubota, Keigo; Matsumoto, Hajime

    2013-12-19

    Stable geometries and stabilization energies (Eform) of the alkali metal complexes with bis(fluorosulfonyl)amide, (fluorosulfonyl)(trifluoromethylslufonyl)amide and bis(trifluoromethylsulfonyl)amide (FSA(-), FTA(-) and TFSA(-)) were studied by ab initio molecular orbital calculations. The FSA(-) complexes prefer the bidentate structures in which two oxygen atoms of two SO2 groups have contact with the metal cation. The FTA(-) and TFSA(-) complexes with Li(+) and Na(+) prefer the bidentate structures, while the FTA(-) and TFSA(-) complexes with Cs(+) prefer tridentate structures in which the metal cation has contact with two oxygen atoms of an SO2 group and one oxygen atom of another SO2 group. The two structures are nearly isoenergetic in the FTA(-) and TFSA(-) complexes with K(+) and Rb(+). The magnitude of Eform depends on the alkali metal cation significantly. The Eform calculated for the most stable TFSA(-) complexes with Li(+), Na(+), K(+), Rb(+) and Cs(+) cations at the MP2/6-311G** level are -137.2, -110.5, -101.1, -89.6, and -84.1 kcal/mol, respectively. The viscosity and ionic conductivity of the alkali TFSA molten salts have strong correlation with the magnitude of the attraction. The viscosity increases and the ionic conductivity decreases with the increase of the attraction. The melting points of the alkali TFSA and alkali BETA molten salts also have correlation with the magnitude of the Eform, which strongly suggests that the magnitude of the attraction play important roles in determining the melting points of these molten salts. The anion dependence of the Eform calculated for the complexes is small (less than 2.9 kcal/mol). This shows that the magnitude of the attraction is not the cause of the low melting points of alkali FTA molten salts compared with those of corresponding alkali TFSA molten salts. The electrostatic interactions are the major source of the attraction in the complexes. The electrostatic energies for the most stable TFSA

  2. Preparation and characterizations of HDPE-EVA alloy/OMT nanocomposites/paraffin compounds as a shape stabilized phase change thermal energy storage material

    International Nuclear Information System (INIS)

    Cai Yibing; Hu Yuan; Song Lei; Lu Hongdian; Chen Zuyao; Fan Weicheng

    2006-01-01

    A kind of shape stabilized phase change nanocomposites materials (PCNM) based on high density polyethylene (HDPE)/ethylene-vinyl acetate (EVA) alloy, organophilic montmorillonite (OMT), paraffin and intumescent flame retardant (IFR) are prepared using twin-screw extruder technique. The structures of the HDPE-EVA alloy/OMT nanocomposites are evidenced by the X-ray diffraction (XRD) and transmission electron microscopy (TEM). The results show that an ordered intercalated nanomorphology of the HDPE-EVA alloy/OMT nanocomposites is formed. Then the structures of the shape stabilized PCNM are characterized by scanning electron microscopy (SEM). The HDPE-EVA alloy/OMT nanocomposites act as the supporting material and form the three-dimensional network structure. The paraffin acts as a phase change material and disperses in the three-dimensional network structure. Its latent heat is given by differential scanning calorimeter (DSC) method. The SEM and DSC results show that the additives of IFR have little effect on the network structure and the latent heat of shape stabilized PCNM, respectively. The thermal stability properties are characterized by thermogravimetric analysis (TGA). The TGA analysis results indicate that the flame retardant shape stabilized PCNM produce a larger amount of char residue at 800 deg. C than that of shape stabilized PCNM, although the onset of weight loss of the flame retardant shape stabilized PCNM occur at a lower temperature. The formed multicellular char residue contributes to the improvement of thermal stability performance. The probable combustion mechanisms are also discussed in this paper

  3. Mixtures of latex particles and the surfactant of opposite charge used as interface stabilizers--influence of particle contact angle, zeta potential, flocculation and shear energy.

    Science.gov (United States)

    Deleurence, Rémi; Parneix, Caroline; Monteux, Cécile

    2014-09-28

    We investigate the stabilization of air-water interfaces by mixtures of negatively charged latex particles (sulfate polystyrene) and cationic surfactants (alkyl trimethylammonium bromides). First we report results concerning the binding of surfactant molecules to the latex particles. As the surfactant concentration increases, the charge of the particles reverses, from negative to positive, because CnTAB first binds electrostatically to the latex particles and then through hydrophobic interaction with the monolayer already adsorbed on the particles as well as directly with the hydrophobic surface of the latex. Over a large range of surfactant concentrations around the charge inversion, a strong flocculation is observed and 100 μm large aggregates form in the suspension. Unlike previous studies published on mixtures of inorganic particles with oppositely charged surfactants, we show that we can vary the sign of the zeta potential of the particles without changing the contact angle of the particles over a large range of surfactant concentrations. Indeed, the latex particles that we study are more hydrophobic than inorganic particles, hence adding moderate concentrations of the surfactant results in a weak variation of the contact angle while the charge of the particles can be reversed. This enables decoupling of the effect of zeta potential and contact angle on the interfacial properties of the mixtures. Our study shows that the contact angle and the charge of the particles are not sufficient parameters to control the foam properties, and the key-parameters are the flocculation state and the shear energy applied to produce the foam. Indeed, flocculated samples, whatever the sign of the zeta potential, enable production of a stable armour at the interface. The large aggregates do not adsorb spontaneously at the interface because of their large size, however when a large shear energy is used to produce the foam very stable foam is obtained, where particles are trapped

  4. Optical detection of magnetic resonance of the F-centre in CaO in its phosphorescent state

    International Nuclear Information System (INIS)

    Krap, C.J.

    1980-01-01

    The F-centre in CaO consists of two electrons trapped in an oxygen vacancy. The centre possesses bound excited states, of which the phosphorescent 3 Tsub(1u) state is a Jahn-Teller state. Jahn-Teller systems have been of interest in many investigations. However, detailed experimental studies about the relaxation paths for the Jahn-Teller states are relatively few. The author studies by means of optical detection of magnetic resonance (ODMR) and phosphorescence microwave double resonance (PMDR) techniques the relaxation between the components of the 3 Tsub(1u) state, the magnetic properties of the individual spin-vibronic Jahn-Teller states and the inhomogeneous line broadening in the ODMR and PMDR spectra. (Auth.)

  5. Economical stabilized scintillation detector

    International Nuclear Information System (INIS)

    Anshakov, O.M.; Chudakov, V.A.; Gurinovich, V.I.

    1983-01-01

    An economical scintillation detector with the stabilization system of an integral type is described. Power consumed by the photomultiplier high-voltage power source is 40 mW, energy resolution is not worse than 9%. The given detector is used in a reference detector of a digital radioisotope densimeter for light media which is successfully operating for several years

  6. Stabilizing Niger

    DEFF Research Database (Denmark)

    Hahonou, Eric Komlavi

    international intervention in Niger. Their main objective is to secure their own strategic, economic and political interests by strengthening the Nigerien authorities through direct intervention and capacity building activities. For western states reinforcing state security institutions and stabilizing elite...

  7. Synthesis and characterization of cathode, anode and electrolyte materials for rechargeable lithium batteries

    Science.gov (United States)

    Yang, Shoufeng

    Two new classes of cathode materials were studied: iron phosphate/sulfate materials and layered manganese oxides, both of which are low cost and had shown some potential. The first class of materials have poor conductivity and cyclability. I studied a number of methods for increasing the conductivity, and determined that grinding the material with carbon black was as effective as special in-situ coatings. The optimum carbon loading was determined to be between 6 and 15 wt%. Too much carbon reduces the volumetric energy density, whereas too little significantly increased cell polarization (reduced the rate of reaction). The kinetic and thermodynamic stability of LiFePO 4 was also studied and it was determined that over discharge protection will be needed as irreversible Li3PO4 can be formed at low potentials. A novel hydrothermal synthesis method was developed, but the significant level of Fe on the Li site reduces the reaction rate too much. In the case of the layered manganese oxide, cation substitution with Co and Ni is found to be effective in avoiding Jahn-Teller effects and improving electrochemistry. A wide range of tin compounds have been suggested as lithium storage media for advanced anode materials, as tin can store over 4 Li per Sn atom. Lithium hexafluorophosphate, LiPF6, is presently the salt of choice for LiCoO2 batteries, but it is expensive and dissolves some manganese compounds. The lithium bis(oxolato)borate (BOB) salt was recently reported, and I made a study of its use in cells with the LiFePO4 cathode and the tin anode. During its synthesis, it became clear that LiBOB is very reactive with many solvents, and these complexes were characterized to better understand this new material. In LiBOB the lithium is five coordinated, an unstable configuration for the lithium ion so that water and many other solvents rapidly react to make a six coordination. Only in the case of ethylene carbonate was the lithium found to be four coordinated. The Li

  8. Nuclear energy - Standard method for testing the long-term alpha irradiation stability of matrices for solidification of high-level radioactive waste. 2. ed.

    International Nuclear Information System (INIS)

    2004-01-01

    This International Standard specifies a method designed to check the long-term stability of a solid to alpha disintegration by detection of all modifications in the properties of an irradiated sample. The material favoured hitherto is a borosilicate glass, but possible alternatives include: ceramics or glass-ceramics, and other glass compositions

  9. Investigation of stability and x-ray spectrum in gas-puff z-pinch plasmas diriven by inductive energy storage pulsed power generator with a plasma opening switch

    Energy Technology Data Exchange (ETDEWEB)

    Murayama, K.; Fukudome, I. [Yatsushiro National College of Technology, Dept. of Mechanical and Electrical Engineering, Yatsushiro, Kumamoto (Japan); Teramoto, Y.; Katsuki, S.; Akiyama, H. [Kumamoto Univ., Dept. of Electrical and Computer Engineering, Kumamoto (Japan)

    2002-06-01

    Gas-puff z-pinch plasmas are driven by an inductive voltage adder - inductive energy storage pulsed power generator ''ASO-X''. ASO-X has the performance of the maximum output voltage and current are 180 kV and 400 kA respectively and can provide a fast rise time current with operating POS. The stability of the plasma column, spectrum radiated from z-pinch plasmas and the spatial distribution of hot spots are investigated in the case with and without operating POS. By driving ASO-X with operating POS the kink instability is restrained and the stability of plasma column is improved about three times in regard to the average dispersion. Furthermore the duration of soft x-ray radiation is increased and the spatial distribution of hot spots is 50% improved with regard to kurtosis of the intensity profile of pinhole photographs compared to those without operating POS. (author)

  10. Investigation of stability and x-ray spectrum in gas-puff z-pinch plasmas diriven by inductive energy storage pulsed power generator with a plasma opening switch

    International Nuclear Information System (INIS)

    Murayama, K.; Fukudome, I.; Teramoto, Y.; Katsuki, S.; Akiyama, H.

    2002-01-01

    Gas-puff z-pinch plasmas are driven by an inductive voltage adder - inductive energy storage pulsed power generator ''ASO-X''. ASO-X has the performance of the maximum output voltage and current are 180 kV and 400 kA respectively and can provide a fast rise time current with operating POS. The stability of the plasma column, spectrum radiated from z-pinch plasmas and the spatial distribution of hot spots are investigated in the case with and without operating POS. By driving ASO-X with operating POS the kink instability is restrained and the stability of plasma column is improved about three times in regard to the average dispersion. Furthermore the duration of soft x-ray radiation is increased and the spatial distribution of hot spots is 50% improved with regard to kurtosis of the intensity profile of pinhole photographs compared to those without operating POS. (author)

  11. Macroeconomic stability

    DEFF Research Database (Denmark)

    Jespersen, Jesper

    2004-01-01

    It is demonstrated that full employment and sustainable development not necessarily are conflicting goals. On the other hand macroeconomic stability cannot be obtained without a deliberate labour sharing policy and a shift in the composition of private consumption away from traditional material...

  12. Stabilized superconductors

    International Nuclear Information System (INIS)

    Wong, J.

    1975-01-01

    The stable, high field, high current composite wire comprises multiple filaments in a depleted bronze matrix, each filament comprising a type II superconducting, beta-tungsten structure, intermetallic compound layer jacketing and metallurgically bonded to a stabilizing copper core, directly or via an intermediate layer of refractory metal

  13. Enhanced thermal properties of novel shape-stabilized PEG composite phase change materials with radial mesoporous silica sphere for thermal energy storage

    OpenAIRE

    Min, Xin; Fang, Minghao; Huang, Zhaohui; Liu, Yan?gai; Huang, Yaoting; Wen, Ruilong; Qian, Tingting; Wu, Xiaowen

    2015-01-01

    Radial mesoporous silica (RMS) sphere was tailor-made for further applications in producing shape-stabilized composite phase change materials (ss-CPCMs) through a facile self-assembly process using CTAB as the main template and TEOS as SiO2 precursor. Novel ss-CPCMs composed of polyethylene glycol (PEG) and RMS were prepared through vacuum impregnating method. Various techniques were employed to characterize the structural and thermal properties of the ss-CPCMs. The DSC results indicated that...

  14. Limits of Nuclear Stability

    CERN Document Server

    Nerlo-Pomorska, B; Kleban, M

    2003-01-01

    The modern version of the liquid-drop model (LSD) is compared with the macroscopic part of the binding energy evaluated within the Hartree-Fock- Bogoliubov procedure with the Gogny force and the relativistic mean field theory. The parameters of a liquid-drop like mass formula which approximate on the average the self-consistent results are compared with other models. The limits of nuclear stability predicted by these models are discussed.

  15. A low energy electron microscopy study of the initial growth, structure and thermal stability of BDA-domains on Cu(001)

    NARCIS (Netherlands)

    Khokhar, F.S.; van Gastel, Raoul; Schwarz, Daniel; Schwarz, Daniel; Zandvliet, Henricus J.W.; Poelsema, Bene

    2011-01-01

    The growth of 4,4′-biphenyldicarboxylic acid (BDA) on Cu(001) has been studied using low energy electron microscopy and selective area low energy electron diffraction. The emergence of large islands and hydrogen bonding to perpendicularly oriented, adjacent molecules is confirmed. The two benzene

  16. Before Stabilization

    DEFF Research Database (Denmark)

    Plesner, Ursula; Horst, Maja

    2013-01-01

    of the communication about innovations in information and communication technology (ICT), and to contribute to an understanding of how different visions promise particular future configurations of workflows, communication processes, politics, economic models and social relations. Hereby, the paper adds...... to the literature on the relationship between ICTs and organizing, but with a distinct focus on innovation communication and distributed innovation processes taking place before ICTs are stabilized, issues which cannot be captured by studies of diffusion and adaptation of new ICTs within single organizations....

  17. Nuclear installations in the baltic sea region and the stake holders cooperation: a crucial step towards energy security, environmental sustainability and political stability in the region

    Energy Technology Data Exchange (ETDEWEB)

    Zakaria, M.; Mandere, N.; Olsson, L. [Lund Univ., Centre for Sustainability Studies (LUCSUS) (Sweden)

    2006-07-01

    Radiation hazards are trans-boundary. The prevention of accidents must be managed locally. But the awareness, preparedness, and the responsibilities in the case of emergencies must be managed at the local and regional level, and must rely on close interaction between the local and regional levels. The Baltic Sea Region contains over 40 nuclear reactors contributing to energy security, but also posing a potential threat to human, environmental, and political security. The aim of this paper is to integrate the four fields of security: health, environment, energy, and political by analysing awareness, preparedness responsibility and decision making related to nuclear installations. With increasing political, economical, cultural and physical (in term of energy infrastructure) integration, the region needs to take a comprehensive approach to create adequate structure for managing risks and thereby promote security. (authors)

  18. Nuclear installations in the baltic sea region and the stake holders cooperation: a crucial step towards energy security, environmental sustainability and political stability in the region

    International Nuclear Information System (INIS)

    Zakaria, M.; Mandere, N.; Olsson, L.

    2006-01-01

    Radiation hazards are trans-boundary. The prevention of accidents must be managed locally. But the awareness, preparedness, and the responsibilities in the case of emergencies must be managed at the local and regional level, and must rely on close interaction between the local and regional levels. The Baltic Sea Region contains over 40 nuclear reactors contributing to energy security, but also posing a potential threat to human, environmental, and political security. The aim of this paper is to integrate the four fields of security: health, environment, energy, and political by analysing awareness, preparedness responsibility and decision making related to nuclear installations. With increasing political, economical, cultural and physical (in term of energy infrastructure) integration, the region needs to take a comprehensive approach to create adequate structure for managing risks and thereby promote security. (authors)

  19. Omega-3 Fatty Acids and Mood Stabilizers Alter Behavioural and Energy Metabolism Parameters in Animals Subjected to an Animal Model of Mania Induced by Fenproporex.

    Science.gov (United States)

    Cancelier, Kizzy; Gomes, Lara M; Carvalho-Silva, Milena; Teixeira, Letícia J; Rebelo, Joyce; Mota, Isabella T; Arent, Camila O; Mariot, Edemilson; Kist, Luiza W; Bogo, Maurício R; Quevedo, João; Scaini, Giselli; Streck, Emilio L

    2017-08-01

    Studies have shown that changes in energy metabolism are involved in the pathophysiology of bipolar disorder (BD). It was suggested that omega-3 (ω3) fatty acids have beneficial properties in the central nervous system and that this fatty acid plays an important role in energy metabolism. Therefore, the study aimed to evaluate the effect of ω3 fatty acids alone and in combination with lithium (Li) or valproate (VPA) on behaviour and parameters of energy metabolism in an animal model of mania induced by fenproporex. Our results showed that co-administration of ω3 fatty acids and Li was able to prevent and reverse the increase in locomotor and exploratory activity induced by fenproporex. The combination of ω3 fatty acids with VPA was only able to prevent the fenproporex-induced hyperactivity. For the energy metabolism parameters, our results showed that the administration of Fen for the reversal or prevention protocol inhibited the activities of succinate dehydrogenase, complex II and complex IV in the hippocampus. However, hippocampal creatine kinase (CK) activity was decreased only for the reversal protocol. The ω3 fatty acids, alone and in combination with VPA or Li, prevented and reversed the decrease in complex II, IV and succinate dehydrogenase activity, whereas the decrease in CK activity was only reversed after the co-administration of ω3 fatty acids and VPA. In conclusion, our results showed that the ω3 fatty acids combined with VPA or Li were able to prevent and reverse manic-like hyperactivity and the inhibition of energy metabolism in the hippocampus, suggesting that ω3 fatty acids may play an important role in the modulation of behavioural parameters and energy metabolism.

  20. A low energy electron microscopy study of the initial growth, structure, and thermal stability of 4,4'-biphenyldicarboxylic acid domains on Cu(001)

    International Nuclear Information System (INIS)

    Khokhar, Fawad S.; Gastel, Raoul van; Schwarz, Daniel; Zandvliet, Harold J. W.; Poelsema, Bene

    2011-01-01

    The growth of 4,4 ' -biphenyldicarboxylic acid (BDA) on Cu(001) has been studied using low energy electron microscopy and selective area low energy electron diffraction. The emergence of large islands and hydrogen bonding to perpendicularly oriented, adjacent molecules is confirmed. The two benzene rings of adsorbed BDA are twisted along the molecular axis. Unconventional growth of the domains, followed by a second nucleation stage, is observed at room temperature. This unanticipated feature is attributed to the accumulation of stress in the islands. Ostwald ripening in the films and the decay of BDA domains at 448 K exhibits features that are consistent with diffusion limited behavior.

  1. A low energy electron microscopy study of the initial growth, structure, and thermal stability of 4,4{sup '}-biphenyldicarboxylic acid domains on Cu(001)

    Energy Technology Data Exchange (ETDEWEB)

    Khokhar, Fawad S.; Gastel, Raoul van; Schwarz, Daniel; Zandvliet, Harold J. W.; Poelsema, Bene [Physics of Interfaces and Nanomaterials, MESA Institute for Nanotechnology, University of Twente, P.O. Box 217, NL-7500AE Enschede (Netherlands)

    2011-09-28

    The growth of 4,4{sup '}-biphenyldicarboxylic acid (BDA) on Cu(001) has been studied using low energy electron microscopy and selective area low energy electron diffraction. The emergence of large islands and hydrogen bonding to perpendicularly oriented, adjacent molecules is confirmed. The two benzene rings of adsorbed BDA are twisted along the molecular axis. Unconventional growth of the domains, followed by a second nucleation stage, is observed at room temperature. This unanticipated feature is attributed to the accumulation of stress in the islands. Ostwald ripening in the films and the decay of BDA domains at 448 K exhibits features that are consistent with diffusion limited behavior.

  2. Stability in designer gravity

    International Nuclear Information System (INIS)

    Hertog, Thomas; Hollands, Stefan

    2005-01-01

    We study the stability of designer gravity theories, in which one considers gravity coupled to a tachyonic scalar with anti-de Sitter (AdS) boundary conditions defined by a smooth function W. We construct Hamiltonian generators of the asymptotic symmetries using the covariant phase space method of Wald et al and find that they differ from the spinor charges except when W = 0. The positivity of the spinor charge is used to establish a lower bound on the conserved energy of any solution that satisfies boundary conditions for which W has a global minimum. A large class of designer gravity theories therefore have a stable ground state, which the AdS/CFT correspondence indicates should be the lowest energy soliton. We make progress towards proving this by showing that minimum energy solutions are static. The generalization of our results to designer gravity theories in higher dimensions involving several tachyonic scalars is discussed

  3. Preparation and thermal characterization of oxalic acid dihydrate/bentonite composite as shape-stabilized phase change materials for thermal energy storage

    Science.gov (United States)

    Han, Lipeng; Xie, Shaolei; Sun, Jinhe; Jia, Yongzhong

    2017-03-01

    Oxalic acid dihydrate (OAD) which has very high initial phase transition enthalpy is a promising phase change material (PCM). In this paper, shape-stabilized composite PCMs composed of OAD and bentonite were prepared by a facile blending method to overcome the problem of leakage. FT-IR results indicated the interactions between OAD and bentonite, such as the capillary force and the hydrogen bonding, resulting in the confined crystallization process. As a result, the OAD was confined to be amorphous. The thermogravimetric analysis and scanning electron microscope results showed that sample had the best coating effect when the amount of bentonite was 17.7%. The differential scanning calorimetry analyses demonstrated that a decrease in the OAD content was accompanied by a continuous decrease in the melting point and phase change enthalpy of the composites.

  4. Thermal conductivity and latent heat thermal energy storage properties of LDPE/wax as a shape-stabilized composite phase change material

    International Nuclear Information System (INIS)

    Trigui, Abdelwaheb; Karkri, Mustapha; Krupa, Igor

    2014-01-01

    Highlights: • This study deals with the comparison of experimental results for different PCM composite to be used in passive solar walls. • This paper reports on the successful use of a specific experimental method in order to characterize the phase change effects. • The results have shown that most important thermal properties of these composites at the solid and liquid states. • Results indicate the thermal effectiveness of phase change material and significant amount of energy saving can be achieved. • Heat flux measurements are a very interesting experimental source of data which comes to complete the calorimetric device (DSC). - Abstract: Phase change material (PCM) composites based on low-density polyethylene (LDPE) with paraffin waxes were investigated in this study. The composites were prepared using a meltmixing method with a Brabender-Plastograph. The LDPE as the supporting matrix kept the molten waxes in compact shape during its phase transition from solid to liquid. Immiscibility of the PCMs (waxes) and the supporting matrix (LDPE) is a necessary property for effective energy storage. Therefore, this type paraffin can be used in a latent heat storage system without encapsulation. The objective of this research is to use PCM composite as integrated components in a passive solar wall. The proposed composite TROMBE wall allows daily storage of the solar energy in a building envelope and restitution in the evening, with a possible control of the air flux in a ventilated air layer. An experimental set-up was built to determine the thermal response of these composites to thermal solicitations. In addition, a DSC analysis was carried out. The results have shown that most important thermal properties of these composites at the solid and liquid states, like the “apparent” thermal conductivity, the heat storage capacity and the latent heat of fusion. Results indicate the performance of the proposed system is affected by the thermal effectiveness of

  5. Optimal sizing of small wind/battery systems considering the DC bus voltage stability effect on energy capture, wind speed variability, and load uncertainty

    International Nuclear Information System (INIS)

    Lujano-Rojas, Juan M.; Dufo-López, Rodolfo; Bernal-Agustín, José L.

    2012-01-01

    Highlights: ► We propose a mathematical model for optimal sizing of small wind energy systems. ► No other previous work has considered all the aspects included in this paper. ► The model considers several parameters about batteries. ► Wind speed variability is considered by means of ARMA model. ► The results show how to minimize the expected energy that is not supplied. - Abstract: In this paper, a mathematical model for stochastic simulation and optimization of small wind energy systems is presented. This model is able to consider the operation of the charge controller, the coulombic efficiency during charge and discharge processes, the influence of temperature on the battery bank capacity, the wind speed variability, and load uncertainty. The joint effect of charge controller operation, ambient temperature, and coulombic efficiency is analyzed in a system installed in Zaragoza (Spain), concluding that if the analysis without considering these factors is carried out, the reliability level of the physical system could be lower than expected, and an increment of 25% in the battery bank capacity would be required to reach a reliability level of 90% in the analyzed case. Also, the effect of the wind speed variability and load uncertainty in the system reliability is analyzed. Finally, the uncertainty in the battery bank lifetime and its effect on the net present cost are discussed. The results showed that, considering uncertainty of 17.5% in the battery bank lifetime calculated using the Ah throughput model, about 12% of uncertainty in the net present cost is expected. The model presented in this research could be a useful stochastic simulation and optimization tool that allows the consideration of important uncertainty factors in techno-economic analysis.

  6. Crystal Structures, Surface Stability, and Water Adsorption Energies of La-Bastnäsite via Density Functional Theory and Experimental Studies

    Energy Technology Data Exchange (ETDEWEB)

    Srinivasan, Sriram Goverapet [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Shivaramaiah, Radha [Univ. of California, Davis, CA (United States); Kent, Paul R. C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Stack, Andrew G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Navrotsky, Alexandra [Univ. of California, Davis, CA (United States); Riman, Richard [State Univ. of New Jersey, Piscataway, NJ (United States); Anderko, Andre [OLI Systems, Inc., Cedar Knolls, NJ (United States); Bryantsev, Vyacheslav S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-07-11

    Bastnasite is a fluoro-carbonate mineral that is the largest source of rare earth elements such as Y, La and Ce. With increasing demand for REE in many emerging technologies, there is an urgent need for improving the efficiency of ore beneficiation by froth flotation. In order to design improved flotation agents that can selectively bind to the mineral surface, a fundamental understanding of the bulk and surface properties of bastnasite is essential. Density functional theory calculations using the PBEsol exchange correlation functional and the DFT-D3 dispersion correction reveal that the most stable form of La bastnsite is isomorphic to the structure of Ce bastnasite belonging to the P2c space group, while the Inorganic Crystal Structure Database structure in the P2m space group is ca. 11.3 kJ/mol higher in energy per LaFCO3 formula unit. We report powder X-ray diffraction measurements on synthetic of La bastnasite to support these theoretical findings. Six different surfaces are studied by DFT, namely [100], [0001], [101], [102], [104] and [112]. Among these, the [100] surface is the most stable with a surface energy of 0.73 J/m2 in vacuum and 0.45 J/m2 in aqueous solution. We predicted the shape of a La bastnasite nanoparticle via thermodynamic Wulff construction to be a hexagonal prism with [100] and [0001] facets, chiseled at its ends by the [101] and [102] facets. The average surface energy of the nanoparticle in the gas phase is estimated to be 0.86 J/m2, in good agreement with a value of 1.11 J/m2 measured by calorimetry. The calculated adsorption energy of a water molecule varies widely with the surface plane and specific adsorption sites on a given surface. Moreover, the first layer of water molecules is predicted to adsorb strongly on the La-bastnasite surface, in agreement with water adsorption calorimetry experiments. Our work provides an important step towards a detailed atomistic understanding of

  7. Energies; Energies

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-07-01

    In the framework of the National Debate on the energies in a context of a sustainable development some associations for the environment organized a debate on the nuclear interest facing the renewable energies. The first part presents the nuclear energy as a possible solution to fight against the greenhouse effect and the associated problem of the wastes management. The second part gives information on the solar energy and the possibilities of heat and electric power production. A presentation of the FEE (French wind power association) on the situation and the development of the wind power in France, is also provided. (A.L.B.)

  8. Improved roof stabilization technologies

    International Nuclear Information System (INIS)

    Ebadian, M.A.

    1998-01-01

    Decontamination and decommissioning (D and D) activities require that personnel have access to all areas of structures, some of which are more than 40 years old. In many cases, these structures have remained in a standby condition for up to 10 years; few preventative maintenance activities have been performed on them because of lack of funding or a defined future plan of action. This situation has led to deteriorated building conditions, resulting in potential personnel safety hazards. In addition, leaky roofs allow water to enter the buildings, which can cause the spread of contamination and increase building deterioration, worsening the already unsafe working conditions. To ensure worker safety and facilitate building dismantlement, the assessment of roof stabilization techniques applicable to US Department of Energy (DOE) structures has become an important issue. During Fiscal year 1997 (FY97), a comprehensive reliability-based model for the structural stabilization analysis of roof system in complex structures was developed. The model consists of three major components: a material testing method, a deterministic structural computer model, and a reliability-based optimization, and probabilistic analyses of roof structures can be implemented. Given site-specific needs, this model recommends the most appropriate roof stabilization system. This model will give not only an accurate evaluation of the existing roof system in complex structures, but it will also be a reliable method to aid the decision-making process. This final report includes in its appendix a Users' Manual for the Program of Deterministic and Reliability Analysis of Roof Structures

  9. Stabilizing Pentacene By Cyclopentannulation.

    Science.gov (United States)

    Bheemireddy, Sambasiva R; Ubaldo, Pamela C; Rose, Peter W; Finke, Aaron D; Zhuang, Junpeng; Wang, Lichang; Plunkett, Kyle N

    2015-12-21

    A new class of stabilized pentacene derivatives with externally fused five-membered rings are prepared by means of a key palladium-catalyzed cyclopentannulation step. The target compounds are synthesized by chemical manipulation of a partially saturated 6,13-dibromopentacene precursor that can be fully aromatized in a final step through a DDQ-mediated dehydrogenation reaction (DDQ=2,3-dichloro-5,6-dicyano-1,4-benzoquinone). The new 1,2,8,9-tetraaryldicyclopenta[fg,qr]pentacene derivatives have narrow energy gaps of circa 1.2 eV and behave as strong electron acceptors with lowest unoccupied molecular orbital energies between -3.81 and -3.90 eV. Photodegradation studies reveal the new compounds are more photostable than 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-pentacene). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Microstructure/processing relationships in high-energy high-rate consolidated powder composites of Nb-stabilized Ti3Al+TiAl

    Energy Technology Data Exchange (ETDEWEB)

    Persad, C.; Lee, B.; Hou, C.; Eliezer, Z.; Marcus, H.L.

    1989-01-01

    A new approach to powder processing is employed in forming titanium aluminide composites. The processing consists of internal heating of a customized powder blend by a fast electrical discharge of a homopolar generator. The high-energy high-rate '1MJ in 1s' pulse permits rapid heating of an electrically conducting powder mixture in a cold wall die. This short time at temperature approach offers the opportunity to control phase transformations and the degree of microstructural coarsening not readily possible with standard powder-processing approaches. This paper describes the consolidation results of titanium aluminide-based powder-composite materials. The focus of this study was the definition of microstructure/processing relationships for each of the composite constituents, first as monoliths and then in composite forms. Non-equilibrium phases present in rapidly solidified TiAl powders are transformed to metastable intermediates en route to the equilibrium gamma phase.

  11. Secular stability of rotating stars

    International Nuclear Information System (INIS)

    Imamura, J.N.; Friedman, J.L.; Durisen, R.H.

    1984-01-01

    In this work, we calculate the secular stability limits of rotating polytropes to nonaxisymmetric perturbations of low m. We consider polytropic indices ranging from 1 to 3 and several angular momentum distributions. Results are most conveniently presented in terms of the t-parameter, defined as the ratio of the rotational kinetic energy to the absolute value of the gravitational energy of the fluid. Previous work on polytropes considered only the m = 2 mode, which is unstable for values of the t-parameter greater than 0.14 +- 0.01 for the n values n = 1.5 and 3 and the angular momentum distributions tested (see Durisen and Imamura 1981). The GRR secular stability limit of the m = 2 mode for the Maclaurin spheroids (n = O) was determined by Chandrasekhar (1970). GRR stability limits of higher m modes for the Maclaurin spheroids were located approximately by Comins (1979a,b) and more precisely by Friedman (1983)

  12. Morphology stabilization of heterogeneous blends

    International Nuclear Information System (INIS)

    1980-01-01

    A heterogeneous elastomer blend is described, consisting of at least two elastomer components which are cross-linkable by irradiation and having a stabilized morphology formed by subjecting the blend to high energy radiation to a point from below to slightly above the gel dose of the blend. (author)

  13. Energies; Energies

    Energy Technology Data Exchange (ETDEWEB)

    Cotard, E.

    2002-02-01

    A review is made about the consequences of the European directive on energy that entered into application in august 2000. It appears that most countries are opening their electricity and gas markets at a faster pace than required by the E.U. directive. European gas imports reached 480 Gm{sup 3} in 2000 and are expected to be over 700 Gm{sup 3} in 2015, so the question of the reliability of the gas suppliers has to be answered at the European level. The current time is marked by an increase of the complexity of the energy market that is due to different factors: 1) the delay in the implementation of European energy directives in France, 2) new arrangement is occurring in United-Kingdom in the energy sector, 3) the lack of a regulating authority in Germany, and 4) the difficulty of inter-connecting the different European energy networks. This transitory period may generate some economic imbalances and competition disturbances by allowing some enterprises to benefit from lower energy prices before others. (A.C.)

  14. Macroscopic plasma properties and stability theory

    International Nuclear Information System (INIS)

    Sakanaka, P.H.

    1981-01-01

    1. Two-fluid equations: (a) Boltzmann equation: complete set of equations; collision models - Vlasov, BGK, Fokker-Planck-Landau, Boltzmann. (b) Moments of the Boltzmann equation: problem of closure. (c) Two-fluid equations. 2. One-fluid equation: (a) One-fluid variables. (b) One-fluid equations: quasi-neutrality. (c) Resistive MHD equations. (d) Ideal MHD equations: one-adiabatic approximation; double-adiabatic approximation - CGL. 3. MHD stability problem - energy principle: (a) Linearized ideal MHD equations: force-operator equation. (b) Boundary conditions. (c) Self-adjointness of force operator. (d) The energy principle. 4. Stability problems: application of the energy principle; stability of sharp-boundary plasmas. 5. Thermodynamic approach for stability of plasmas: Newcomb and Rosenbluth's stability criteria. (author)

  15. Sensitive and selective turn off-on fluorescence detection of heparin based on the energy transfer platform using the BSA-stabilized Au nanoclusters/amino-functionalized graphene oxide hybrids.

    Science.gov (United States)

    Lan, Jing; Zou, Hong Yan; Wang, Qiang; Zeng, Ping; Li, Yuan Fang; Huang, Cheng Zhi

    2016-12-01

    An ultra-sensitive and selective turn off-on fluorescence detection of heparin based on the energy transfer in the BSA-stabilized gold nanoclusters/amino-functionalized graphene oxide (BSA-AuNCs/NH 2 -GO) hybrids was successfully realized. The BSA-AuNCs containing amounts of carboxyl groups could be absorbed on the surface of NH 2 -GO through the electrostatic interaction, which resulted in the fluorescence quenching of BSA-AuNCs with high efficiency. However, heparin, possessing high density of negative charge, could compete with BSA-AuNCs to bind NH 2 -GO and block the energy transfer from BSA-AuNCs to NH 2 -GO. The fluorescence recovery of BSA-AuNCs was closely related to the amount of heparin and there was a good linear relationship between fluorescence recovery of BSA-AuNCs and heparin over the range of 100ng/mL to 30μg/mL with a detection limit of 40ng/mL. What's more, the fluorescence assay was successfully applied for heparin sensing in human serums and intracellular imaging. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. Nonlinear stability of ideal fluid equilibria

    International Nuclear Information System (INIS)

    Holm, D.D.

    1988-01-01

    The Lyapunov method for establishing stability is related to well- known energy principles for nondissipative dynamical systems. A development of the Lyapunov method for Hamiltonian systems due to Arnold establishes sufficient conditions for Lyapunov stability by using the energy plus other conserved quantities, together with second variations and convexity estimates. When treating the stability of ideal fluid dynamics within the Hamiltonian framework, a useful class of these conserved quantities consists of the Casimir functionals, which Poisson-commute with all functionals of the dynamical fluid variables. Such conserved quantities, when added to the energy, help to provide convexity estimates that bound the growth of perturbations. These convexity estimates, in turn, provide norms necessary for establishing Lyapunov stability under the nonlinear evolution. In contrast, the commonly used second variation or spectral stability arguments only prove linearized stability. As ideal fluid examples, in these lectures we discuss planar barotropic compressible fluid dynamics, the three-dimensional hydrostatic Boussinesq model, and a new set of shallow water equations with nonlinear dispersion due to Basdenkov, Morosov, and Pogutse[1985]. Remarkably, all three of these samples have the same Hamiltonian structure and, thus, possess the same Casimir functionals upon which their stability analyses are based. We also treat stability of modified quasigeostrophic flow, a problem whose Hamiltonian structure and Casimirs closely resemble Arnold's original example. Finally, we discuss some aspects of conditional stability and the applicability of Arnold's development of the Lyapunov technique. 100 refs

  17. Energy fiscality

    International Nuclear Information System (INIS)

    2001-07-01

    This report gives a general presentation of energy fiscality in France: taxes on energy, mechanisms of stabilization of government's fiscal incomes in case of significant oil prices change, some particularities of energy taxes, the fiscality according to the energy content and according to the carbon content. The fiscality of petroleum products (automotive fuels and other products), natural gas and electricity in France is presented in appendixes together with a comparison of the fiscality in use in the rest of Europe (automotive fuels, domestic fuels, natural gas and electricity for domestic use and for industrial use). (J.S.)

  18. The Energy Chart'93

    International Nuclear Information System (INIS)

    Shervashidze, N.

    1993-01-01

    The Energy Chart'93 is developed with respect to forthcoming restructuring of energy sector in Bulgaria and contains its main directions for both short- and long-term periods. The priorities are given to: energy supply, stabilization of the existing units, ecological development, domestic energy sources, atomic energy, gas energy, utilization of the available hydrological potential. The leading role of legislation in this area is also pointed out, as well as the regulating function of the Committee of Energy. (author)

  19. The physical chemistry of coordinated aqua-, ammine-, and mixed-ligand Co2+ complexes: DFT studies on the structure, energetics, and topological properties of the electron density.

    Science.gov (United States)

    Varadwaj, Pradeep R; Marques, Helder M

    2010-03-07

    Spin-unrestricted DFT-X3LYP/6-311++G(d,p) calculations have been performed on a series of complexes of the form [Co(H(2)O)(6-n)(NH(3))(n)](2+) (n = 0-6) to examine their equilibrium gas-phase structures, energetics, and electronic properties in their quartet electronic ground states. In all cases Co(2+) in the energy-minimised structures is in a pseudo-octahedral environment. The calculations overestimate the Co-O and Co-N bond lengths by 0.04 and 0.08 A, respectively, compared to the crystallographically observed mean values. There is a very small Jahn-Teller distortion in the structure of [Co(H(2)O)(6)](2+) which is in contrast to the very marked distortions observed in most (but not all) structures of this cation that have been observed experimentally. The successive replacement of ligated H(2)O by NH(3) leads to an increase in complex stability by 6 +/- 1 kcal mol(-1) per additional NH(3) ligand. Calculations using UB3LYP give stabilisation energies of the complexes about 5 kcal mol(-1) smaller and metal-ligand bond lengths about 0.005 A longer than the X3LYP values since the X3LYP level accounts for the London dispersion energy contribution to the overall stabilisation energy whilst it is largely missing at the B3LYP level. From a natural population analysis (NPA) it is shown that the formation of these complexes is accompanied by ligand-to-metal charge transfer the extent of which increases with the number of NH(3) ligands in the coordination sphere of Co(2+). From an examination of the topological properties of the electron charge density using Bader's quantum theory of atoms in molecules it is shown that the electron density rho(c) at the Co-O bond critical points is generally smaller than that at the Co-N bond critical points. Hence Co-O bonds are weaker than Co-N bonds in these complexes and the stability increases as NH(3) replaces H(2)O in the metal's coordination sphere. Several indicators, including the sign and magnitude of the Laplacian of the

  20. Structural and thermal properties of LaMnO3 from neutron diffraction and first principles studies

    International Nuclear Information System (INIS)

    Wdowik, Urszula D; Ouladdiaf, Bachir; Chatterji, Tapan

    2011-01-01

    Neutron diffraction experiments have been performed on powder samples of LaMnO 3 below and above the Jahn-Teller transition temperature of 750 K. Experimental investigations are assisted by density functional theory calculations. Theoretical studies are carried out for the orbitally ordered state of LaMnO 3 which allows one to compare the behavior of the orbitally ordered and disordered structures as a function of temperature. The temperature dependences of the structural parameters characterizing the Jahn-Teller distortions are reported and discussed. A gradual departure of the experimental data from theoretical predictions is observed above 650 K. In this range of temperatures, anions surrounding the Jahn-Teller active cations perform more isotropic thermal motion. The onset of structural phase transition induces a reduction of the crystal volume by about 0.4% which follows from the structural transformations yielding more regular oxygen octahedra formed above the phase transformation. It is found that above the Jahn-Teller transition the distortions of the MnO 6 octahedra are not completely removed. The non-vanishing distortions are accompanied by the lifted degeneracy of the Mn e g states. Weak residual distortions can be assigned to the short-range orbital order that persists within a local scale but it seems quenched on average giving rise to a disappearance of the long-range order coherency of the Jahn-Teller effect.

  1. Effect of stabilizers on the physico-chemical and sensory attributes ...

    African Journals Online (AJOL)

    SERVER

    2008-01-18

    Jan 18, 2008 ... a source of highly nutritive protein, energy from added cane sugar ... stability of the grain during storage, value of its product and ease of .... Effect of stabilizers on the solids and specific gravity of thermized yoghurt*+. Stabilize.

  2. Plutonium inventories for stabilization and stabilized materials

    Energy Technology Data Exchange (ETDEWEB)

    Williams, A.K.

    1996-05-01

    The objective of the breakout session was to identify characteristics of materials containing plutonium, the need to stabilize these materials for storage, and plans to accomplish the stabilization activities. All current stabilization activities are driven by the Defense Nuclear Facilities Safety Board Recommendation 94-1 (May 26, 1994) and by the recently completed Plutonium ES&H Vulnerability Assessment (DOE-EH-0415). The Implementation Plan for accomplishing stabilization of plutonium-bearing residues in response to the Recommendation and the Assessment was published by DOE on February 28, 1995. This Implementation Plan (IP) commits to stabilizing problem materials within 3 years, and stabilizing all other materials within 8 years. The IP identifies approximately 20 metric tons of plutonium requiring stabilization and/or repackaging. A further breakdown shows this material to consist of 8.5 metric tons of plutonium metal and alloys, 5.5 metric tons of plutonium as oxide, and 6 metric tons of plutonium as residues. Stabilization of the metal and oxide categories containing greater than 50 weight percent plutonium is covered by DOE Standard {open_quotes}Criteria for Safe Storage of Plutonium Metals and Oxides{close_quotes} December, 1994 (DOE-STD-3013-94). This standard establishes criteria for safe storage of stabilized plutonium metals and oxides for up to 50 years. Each of the DOE sites and contractors with large plutonium inventories has either started or is preparing to start stabilization activities to meet these criteria.

  3. IMPROVED ROOF STABILIZATION TECHNOLOGIES

    International Nuclear Information System (INIS)

    Ebadian, M.A.

    1999-01-01

    Many U.S. Department of Energy (DOE) remediation sites have performed roof repair and roof replacement to stabilize facilities prior to performing deactivation and decommissioning (D and D) activities. This project will review the decision criteria used by these DOE sites, along with the type of repair system used for each different roof type. Based on this information, along with that compiled from roofing experts, a decision-making tool will be generated to aid in selecting the proper roof repair systems. Where appropriate, innovative technologies will be reviewed and applied to the decision-making tool to determine their applicability. Based on the results, applied research and development will be conducted to develop a method to repair these existing roofing systems, while providing protection for the D and D worker in a cost-efficient manner

  4. IMPROVED ROOF STABILIZATION TECHNOLOGIES

    Energy Technology Data Exchange (ETDEWEB)

    M.A. Ebadian, Ph.D.

    1999-01-01

    Many U.S. Department of Energy (DOE) remediation sites have performed roof repair and roof replacement to stabilize facilities prior to performing deactivation and decommissioning (D&D) activities. This project will review the decision criteria used by these DOE sites, along with the type of repair system used for each different roof type. Based on this information, along with that compiled from roofing experts, a decision-making tool will be generated to aid in selecting the proper roof repair systems. Where appropriate, innovative technologies will be reviewed and applied to the decision-making tool to determine their applicability. Based on the results, applied research and development will be conducted to develop a method to repair these existing roofing systems, while providing protection for the D and D worker in a cost-efficient manner.

  5. Complementarity and stability conditions

    Directory of Open Access Journals (Sweden)

    Howard Georgi

    2017-08-01

    Full Text Available We discuss the issue of complementarity between the confining phase and the Higgs phase for gauge theories in which there are no light particles below the scale of confinement or spontaneous symmetry breaking. We show with a number of examples that even though the low energy effective theories are the same (and trivial, discontinuous changes in the structure of heavy stable particles can signal a phase transition and thus we can sometimes argue that two phases which have different structures of heavy particles that cannot be continuously connected and thus the phases cannot be complementary. We discuss what this means and suggest that such “stability conditions” can be a useful physical check for complementarity.

  6. Spectrum stabilizer; Stabilisateur de spectres

    Energy Technology Data Exchange (ETDEWEB)

    Detourne, G. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires, Departement d' electronique generale, Service d' instrumentation nucleaire

    1967-05-01

    A spectrum stabilizer is a control mechanism which renders an analytical chain reliable. It can detect a drift in the amplification and in the base of the energy scale, and can modify the characteristics of this chain. The results of a theoretical study make it possible to calculate the width and the abscissae of the peaks of a stabilized spectrum as a function of the drifts. The SPECTROSTAB is a numerical stabilizer of a continuous type; it provides the artificial reference peak at low energies. Experimental results give the performances obtained on a reference peak provided by a semi-conductor detector, in the field of gamma spectroscopy. (author) [French] Un stabilisateur de spectres est un asservissement qui permet de rendre fidele une cha e d'analyse. Il detecte les derives du gain et de l'origine de l'echelle des energies et reagit sur les caracteristiques de cette cha e. Les resultats d'une etude theorique permettent le calcul des elargissements et des abscisses des pics d'un spectre stabilise, en fonction des derives. Le SPECTROSTAB est un stabilisateur numerique du genre continu; il fournit le pic de reference artificiel aux basses energies. Des resultats experimentaux donnent les performances obtenues sur un pic de reference fourni par un detecteur a semi-conducteur, dans le domaine de la spectrometrie gamma. (auteur)

  7. Tunable luminescence and energy transfer properties in Na{sub 3}Bi(PO4){sub 2}:Eu{sup 3+}, Tb{sup 3+}, Dy{sup 3+}, Sm{sup 3+} phosphors with high thermal stability

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Zizhong; Fu, Guangsheng; Yang, Yong; Yang, Zhiping, E-mail: yangzp2005@sohu.com; Li, Panlai, E-mail: li_panlai@126.com

    2017-04-15

    Na{sub 3}Bi(PO{sub 4}){sub 2}:Eu{sup 3+}/Tb{sup 3+}/Dy{sup 3+}/Sm{sup 3+} phosphors were synthesized via a high-temperature solid-state reaction method. The X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), diffuse reflection, photoluminescence (PL) and fluorescent decay curves were utilized to characterize the obtained phosphors. Under n-UV excitation, Na{sub 3}Bi(PO{sub 4}){sub 2}:Eu{sup 3+}/Tb{sup 3+}/Dy{sup 3+}/Sm{sup 3+} samples show the characteristic f-f emissions and present red, green, yellow and orange emission, respectively. When Tb{sup 3+}, Dy{sup 3+} and Sm{sup 3+} were co-doped into the Na{sub 3}Bi(PO{sub 4}){sub 2}:Eu{sup 3+} phosphors, tunable emission colors can be obtained and can be efficiently adjusted by varying the doping ions and the doping concentration. The energy transfer mechanisms were investigated in detail and demonstrated that there is an efficient energy transfer from Tb{sup 3+}, Dy{sup 3+} and Sm{sup 3+} to Eu{sup 3+} via a dipole-dipole interaction mechanism. Additional, as the temperature increases from RT to 150 °C, the PL intensity of Tb{sup 3+}-Eu{sup 3+}, Dy{sup 3+}-Eu{sup 3+} and Sm{sup 3+}-Eu{sup 3+} co-doped phosphors decreased to 86%, 85% and 88%, respectively, which prove good thermal stability. All the CIE coordinates of as-prepared phosphors are displayed and show abundant colors, making these materials have potential applications for n-UV-excited white-LEDs.

  8. Stability of the field-reversed mirror

    International Nuclear Information System (INIS)

    Morse, E.C.

    1979-01-01

    The stability of a field reversed mirror plasma configuration is studied with an energy principle derived from the Vlasov equation. Because of finite orbit effects, the stability properties of a field-reversed mirror are different from the stability properties of similar magnetohydrodynamic equilibria. The Vlasov energy principle developed here is applied to a computer simulation of an axisymmetric field-reversed mirror state. It has been possible to prove that the l = 0 modes, called tearing modes, satisfy a sufficient condition for stability. Precessional modes, with l = 1, 2, are found to be unstable at low growth rate. This suggests possible turbulent behavior (Bohm confinement) in the experimental devices aiming at field reversal. Techniques for suppressing these instabilities are outlined, and the applicability of the Vlasov energy principle to more complicated equilibrium models is shown

  9. Stabilizing effect of epoxidized sunflower oil as a secondary stabilizer for Ca/Hg stabilized PVC

    Directory of Open Access Journals (Sweden)

    2008-01-01

    Full Text Available Unsaturated triglyceride oil sunflower was epoxidized and characterized by chemical and spectroscopic methods. Epoxidized sunflower oil (ESO was used as an organic thermal co-stabilizer for rigid poly(vinyl chloride (PVC in the presence of tricalcium dicitrate (Ca3(C6H5O72 and mercury (II acetate (Hg(CH3COO2. The thermo-oxidative degradation of PVC was studied in the presence of these ternary stabilizer systems at 170, 180, 190 and 200°C in N2 atmosphere. The effects of metal carboxylate combination Ca/Hg in the absence and in the presence of epoxidized sunflower oil on static heat treatment of PVC have been studied. The formation of polyene sequences was investigated by UV-visible and FT-IR spectroscopy and by comparing viscosity data obtained in the presence and in the absence of the additives. It was found that the additives retard the rate of degradation and reduce the extent of polymer chain scission associated with the thermal degradation of poly(vinyl chloride. Synergistic effects were found when stabilizer was blended in 50:50 weight ratios with either. It was found that ESO exerted a stabilizing effect on the degradation of PVC. The activation energy for degraded PVC in absence of stabilizers was 38.6 kJ•mol–1 and in the presence of Ca/Hg and Ca/Hg/ESO were 53.3 and 64.7 kJ•mol–1 respectively. In order of compare the efficiency of the epoxidized sunflower oil with these metal soap stabilizers, thermal stabilities were evaluated on the basis of evolved hydrogen chloride determined by conductometry technique and degree of discoloration are discussed.

  10. Tunneling Splittings in Vibronic Structure of CH_3F^+ ( X^2E): Studied by High Resolution Photoelectron Spectra and AB Initio Theoretical Method

    Science.gov (United States)

    Mo, Yuxiang; Gao, Shuming; Dai, Zuyang; Li, Hua

    2013-06-01

    We report a combined experimental and theoretical study on the vibronic structure of CH_3F^+. The results show that the tunneling splittings of vibrational energy levels occur in CH_3F^+ due to the Jahn-Teller effect. Experimentally, we have measured a high resolution ZEKE spectrum of CH_3F up to 3500 cm^-^1 above the ground state. Theoretically, we performed an ab initio calculation based on the diabatic model. The adiabatic potential energy surfaces (APES) of CH_3F^+ have been calculated at the MRCI/CAS/avq(t)z level and expressed by Taylor expansions with normal coordinates as variables. The energy gradients for the lower and upper APES, the derivative couplings between them and also the energies of the APES have been used to determine the coefficients in the Taylor expansion. The spin-vibronic energy levels have been calculated by accounting all six vibrational modes and their couplings. The experimental ZEKE spectra were assigned based on the theoretical calculations. W. Domcke, D. R. Yarkony, and H. Köpple (Eds.), Conical Intersections: Eletronic Structure, Dynamics and Spectroscopy (World Scientific, Singapore, 2004). M. S. Schuurman, D. E. Weinberg, and D. R. Yarkony, J. Chem. Phys. 127, 104309 (2007).

  11. Stability of Dolos Slopes

    DEFF Research Database (Denmark)

    Brorsen, Michael; Burcharth, Hans F.; Larsen, Torben

    The stability of dolos armour blocks against wave attack has been investigated in wave model studies.......The stability of dolos armour blocks against wave attack has been investigated in wave model studies....

  12. Control concepts for integration of alternative supply generation systems in local energy supply grids taking specially into account systems stability; Regelungstechnische Konzepte zur Integration alternativer Erzeugungsanlagen in lokale Energieversorgungsnetze unter besonderer Beruecksichtigung der Systemstabilitaet

    Energy Technology Data Exchange (ETDEWEB)

    La Seta, P.

    2007-03-26

    Local alternative power supply plants will play a decisive role in the development of future power supply systems. The specific advantage of the use of renewable primary energy resources for electricity and heat generation is that it lowers or eliminates fuel costs and CO{sub 2} emission costs. However, due to the high specific investment costs involved, the price of a kilowatt hour of electricity from renewable resources is still very high. For this reason power production from renewable resources still cannot fully compete with that from conventional resources. This study presents the draft of a complete control system for a doubly fed asynchronous motor which improves its dynamic and transient stability. This system is based on machine equations and consists of a number of control circuits which steer the machine's operating conditions according to external characteristics. The control strategy is to generate the maximum permissible power from the wind at any moment rather than achieve the optimal operating point for the entire network. One focus of this study was on ensuring the transient stability of doubly fed asynchronous motors. This was accomplished by means of a new method which is presented in this dissertation. The method consists in supporting the voltage at the intermediate circuit of the rotor rectifier by means of an external voltage source during and briefly after the short circuit. A test based on the stationary-torque-slip characteristic prior to the error and after its resolution shows that machine's stable area shrinks drastically during reduced stator voltage when the rotor windings are shorted with a crowbar as is commonly done today. The proposed method (supporting the intermediate circuit voltage) provides a sufficient stability reserve also when stator voltage is reduced. Simulations with ATP-EMTP were performed on a single wind power plant in a fixed-load 110 kV transmission network as well as in a stand-alone network with two

  13. Stability of parallel flows

    CERN Document Server

    Betchov, R

    2012-01-01

    Stability of Parallel Flows provides information pertinent to hydrodynamical stability. This book explores the stability problems that occur in various fields, including electronics, mechanics, oceanography, administration, economics, as well as naval and aeronautical engineering. Organized into two parts encompassing 10 chapters, this book starts with an overview of the general equations of a two-dimensional incompressible flow. This text then explores the stability of a laminar boundary layer and presents the equation of the inviscid approximation. Other chapters present the general equation

  14. The BWR Stability Issue

    International Nuclear Information System (INIS)

    D'Auria, F.

    2008-01-01

    The purpose of this paper is to supply general information about Boiling Water Reactor (BWR) stability. The main concerned topics are: phenomenological aspects, experimental database, modelling features and capabilities, numerical models, three-dimensional modelling, BWR system performance during stability, stability monitoring and licensing aspects.

  15. Feedback stabilization initiative

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-06-01

    Much progress has been made in attaining high confinement regimes in magnetic confinement devices. These operating modes tend to be transient, however, due to the onset of MHD instabilities, and their stabilization is critical for improved performance at steady state. This report describes the Feedback Stabilization Initiative (FSI), a broad-based, multi-institutional effort to develop and implement methods for raising the achievable plasma betas through active MHD feedback stabilization. A key element in this proposed effort is the Feedback Stabilization Experiment (FSX), a medium-sized, national facility that would be specifically dedicated to demonstrating beta improvement in reactor relevant plasmas by using a variety of MHD feedback stabilization schemes.

  16. Feedback stabilization initiative

    International Nuclear Information System (INIS)

    1997-06-01

    Much progress has been made in attaining high confinement regimes in magnetic confinement devices. These operating modes tend to be transient, however, due to the onset of MHD instabilities, and their stabilization is critical for improved performance at steady state. This report describes the Feedback Stabilization Initiative (FSI), a broad-based, multi-institutional effort to develop and implement methods for raising the achievable plasma betas through active MHD feedback stabilization. A key element in this proposed effort is the Feedback Stabilization Experiment (FSX), a medium-sized, national facility that would be specifically dedicated to demonstrating beta improvement in reactor relevant plasmas by using a variety of MHD feedback stabilization schemes

  17. RCRA facility stabilization initiative

    International Nuclear Information System (INIS)

    1995-02-01

    The RCRA Facility Stabilization Initiative was developed as a means of implementing the Corrective Action Program's management goals recommended by the RIS for stabilizing actual or imminent releases from solid waste management units that threaten human health and the environment. The overall goal of stabilization is to, as situations warrant, control or abate threats to human health and/or the environment from releases at RCRA facilities, and/or to prevent or minimize the further spread of contamination while long-term remedies are pursued. The Stabilization initiative is a management philosophy and should not be confused with stabilization technologies

  18. Soft energy

    International Nuclear Information System (INIS)

    Lovins, A.B.

    1978-01-01

    A compact energy concept opposes the existing development course of energy supply. This concept does without projects for opening-up oil and gas occurrences in the Arctic and in offshore seas, and also without a further extension of nuclear energy. Energy consumption is to be stabilized in the long-run on today's level by a utilization of energy which is to be substantially improved in a technical and economic respect. Oil and gas are to be replaced by 'soft', regenerative, mainly decentralized energy sources, in the course of about 30 years time. Solar energy is to be used for heating and service water, biogas as motor fuel being generated primarily from reference which will come from agriculture and forestry. Wind and hydroelectric power are to be used for generating electricity. In the first part, concepts for the present and future energy policy are discussed, in the second part, a lot of figures are given, supporting the respective arguments. In the third part the relationships between social and energy-economic developments are pointed out. (UA) [de

  19. Stability constants of scandium complexes, 1

    International Nuclear Information System (INIS)

    Itoh, Hisako; Itoh, Naomi; Suzuki, Yasuo

    1984-01-01

    The stability constants of scandium complexes with some carboxylate ligands were determined potentiometrically at 25.0 and 40.0 0 C and at an ionic strength of 0.10 with potassium nitrate as supporting electrolyte. The constants of the scandium complexes were appreciably greater than those of the corresponding lanthanoid complexes, as expected. The changes in free energy, enthalpy, and entropy for the formation of the scandium complexes were calculated from the stability constants at two temperatures. (author)

  20. Stability, current drive and heating, energetic particles

    International Nuclear Information System (INIS)

    Razumova, K.

    2001-01-01

    The paper summarizes the results presented at the conference Fusion Energy 2000 (FEC 2000) in relation to the following subjects: 1. The possibility of realizing plasma parameters for ITER needs, advanced regimes in tokamaks and stellarators. 2. Stability of plasmas with an appreciable component of fast particles. 3. Low aspect ratio tokamaks. 4. New results with auxiliary heating and current drive methods. 5. β limit and neoclassical tearing mode (NTM) stabilization. 6. Internal transport barriers. (author)

  1. Secular stability of rotating stars

    International Nuclear Information System (INIS)

    Imamura, J.N.; Friedman, J.L.; Durisen, R.H.

    1984-01-01

    In this work, the authors calculate the secular stability limits of rotating polytropes to nonaxisymmetric perturbations of low m. Polytropic indices ranging from 1 to 3 and several angular momentum distributions are considered. Results are most conveniently presented in terms of the t-parameter, defined as the ratio of the rotational kinetic energy to the absolute value of the gravitational energy of the fluid. Previous work on polytropes considered only the m = 2 mode, which is unstable for values of the t-parameter greater than 0.14 +- 0.01 for the n values n = 1.5 and 3 and the angular momentum distributions tested (see Durisen and Imamura 1981). The GRR secular stability limit of the m - 2 mode for the Maclaurin spheroids (n = 0) was determined by Chandrasekhar (1970). GRR stability limits of higher m modes for the Maclaurin spheroids were located approximately by Comins (1979a,b) and more precisely by Friedman (1983). 16 references, 2 tables

  2. Stability analysis of zigzag boron nitride nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Rai, Hari Mohan, E-mail: rai.2208@gmail.com; Late, Ravikiran; Saxena, Shailendra K.; Kumar, Rajesh; Sagdeo, Pankaj R. [Indian Institute of Technology, Indore –452017 (India); Jaiswal, Neeraj K. [Discipline of Physics, PDPM- Indian Institute of Information Technology, Design and Manufacturing, Jabalpur – 482005 (India); Srivastava, Pankaj [Computational Nanoscience and Technology Lab. (CNTL), ABV- Indian Institute of Information Technology and Management, Gwalior – 474015 (India)

    2015-05-15

    We have explored the structural stability of bare and hydrogenated zigzag boron nitride nanoribbons (ZBNNRs). In order to investigate the structural stability, we calculate the cohesive energy for bare, one-edge and both edges H-terminated ZBNNRs with different widths. It is found that the ZBNNRs with width Nz=8 are energetically more favorable than the lower-width counterparts (Nz<8). Bare ZBNNRs have been found energetically most stable as compared to the edge terminated ribbons. Our analysis reveals that the structural stability is a function of ribbon-width and it is not affected significantly by the type of edge-passivation (one-edge or both-edges)

  3. Investigation of the charge-orbital ordering mechanism in single-layered Pr0.5Ca1.5MnO4

    Science.gov (United States)

    Rangkuti, C. N.; Majidi, M. A.

    2018-04-01

    Motivated by the experimental study of half-doped single-layered Pr0.5Ca1.5MnO4 showing charge, orbital, and spin orderings [1], we propose a model to theoretically study the system to explain such ordering phenomena. The ground state electron configuration reveals that the charges form a checkerboard pattern with alternating Mn3+/Mn4+ sites, while the orbitals are aligned in zigzag chains [1, 2]. We calculate the ground state energy of this system to find the most preferable configuration by comparing three types of configurations (charge-unordered, charge-ordered, and charge-orbital-ordered states). The calculations are based on a tight-binding model representing effective electron hoppings among Mn ions in MnO2-plane. We take into account the horizontally- and vertically-oriented orbital and spin degrees of freedom at Mn sites. We assume that the hopping integral values depend on the relative orientation between the corresponding orbitals of adjacent Mn ions. The interaction terms we incorporate into our effective Hamiltonian include inter-orbital, intra-orbital Hubbard repulsions, and Jahn-Teller distortion [2]. We absorb the exchange interaction between spins into local self-energy that we calculate within dynamical mean field algorithm [2]. Within our model we show a circumstance in which the charge-orbital ordered configuration has the lowest energy, consistent with the ground state ordering revealed by the experimental data.

  4. Association of Stability Parameters and Yield Stability of Sesame ...

    African Journals Online (AJOL)

    Association of Stability Parameters and Yield Stability of Sesame ( Sesamum ... Information on phenotypic stability is useful for the selection of crop varieties as well as for ... as an alternative to parametric stability measurements is important.

  5. Habit plane-driven P2-type manganese-based layered oxide as long cycling cathode for Na-ion batteries

    Science.gov (United States)

    Luo, Rui; Wu, Feng; Xie, Man; Ying, Yao; Zhou, Jiahui; Huang, Yongxin; Ye, Yusheng; Li, Li; Chen, RenJie

    2018-04-01

    Layered transition metal oxides are considered to be promising candidates as cathode materials for sodium-ion batteries. Herein, a facile solid-state reaction is developed to synthesize hexagons plate-like Na0.67Ni0.25Mn0.75O2+δ (denoted as P2-NNM) material with habit plane formed. The structure of this layered oxide is characterized by XRD, HR-TEM and SAED. The layered material delivers a high reversible capacity of 91.8 mAh g-1 at 0.2 C with a capacity retention of 94.4 % after 280 cycles, superior rate capability and long cycle life (84.2 % capacity retention after 1000 cycle). Ni2+ is an active ion and Ni doping alleviates the Jahn-Teller distortion, and Mn3+/Mn4+ coexist as Mn4+ is desired from the stability perspective. Particularly, CV and XPS results confirm these results. Moreover, the electrode exhibits a quasi-solid-solution reaction during the sodium extraction and insertion. This contribution demonstrates that P2-NNM is a promising cathode electrode for rechargeable long-life sodium-ion batteries.

  6. Ba 3 (Cr 0.97(1) Te 0.03(1) ) 2 TeO 9 : in Search of Jahn–Teller Distorted Cr(II) Oxide

    Energy Technology Data Exchange (ETDEWEB)

    Li, Man-Rong; Deng, Zheng; Lapidus, Saul H.; Stephens, Peter W.; Segre, Carlo U.; Croft, Mark; Paria Sena, Robert; Hadermann, Joke; Walker, David; Greenblatt, Martha

    2016-10-17

    A novel 6H - type hexagonal perovskite Ba 3 (Cr 0.97(1) Te 0.03 (1 ) ) 2 TeO 9 was prepared at high pressure (6 GPa) and temperature ( 1 773 K). Both transmission electron microscopy and synchrotron powder x - ray diffraction data demonstrate that Ba 3 (Cr 0.97(1) Te 0.03(1) ) 2 TeO 9 crystallize s in P6 3 / mmc with face - shared (Cr 0.97(1) Te 0.03(1) )O 6 octahedral pairs interconnected with TeO 6 octahedra via corner - sharing. Structure analysis shows a mixed Cr 2+ /Cr 3+ valence state with ~ 10% Cr 2+ . The existence of Cr 2+ in Ba 3 (Cr 2+ 0.10(1) Cr 3+ 0.87(1) Te 6+ 0.03 ) 2 TeO 9 is further evidenced by x - ray absorption near edge spectr oscopy . Magnetic properties measurements show a paramagnetic response down to 4 K and a small glassy - state curvature at low temperature. In this work, the o ctahedral Cr 2+ O 6 component is stabilized in an oxide material for the first time ; the expected Jahn - Teller distortion of high - spin ( d 4 ) Cr 2+ is not found , which is attributed to the small proportion of Cr 2+ (~ 10%) and the face - sharing arrangement of CrO 6 octahedral pairs, that structu rally dis favor axial distortion.

  7. Chemical control in steam systems by using a stabilized inorganic product with gain of energy and speed in detecting contaminations; Controle quimico em geradores de vapor, pelo uso de agente inorganico estabilizado, com ganhos de energia e celeridade na deteccao de contaminacoes

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Barny de; Pereira, Renato Andre Nunes [Kurita do Brasil, Rio de Janeiro, RJ (Brazil)

    2010-07-01

    This paper shows the basic conditions to control the relation between phosphate and sodium in high pressure boilers by applying a stabilized chemical product ensuring operation with low variability and energy gain by the eliminating of corrective blowdown. It presents the routine and the relevant benefits provided by a strong monitoring program of phosphate application in high pressure boilers as an important tool do detect deviations and to get better control of silica solubilization in this pressure level. (author)

  8. Stability of Hyperthermophilic Proteins

    DEFF Research Database (Denmark)

    Stiefler-Jensen, Daniel

    stability by randomly generate mutants and lengthy screening processes to identify the best new mutants. However, with the increase in available genomic sequences of thermophilic or hyperthermophilic organisms a world of enzymes with intrinsic high stability are now available. As these organisms are adapted...... to life at high temperatures so are their enzymes, as a result the high stability is accompanied by low activity at moderate temperatures. Thus, much effort had been put into decoding the mechanisms behind the high stability of the thermophilic enzymes. The hope is to enable scientist to design enzymes...... in the high stability of hyperthermophilic enzymes. The thesis starts with an introduction to the field of protein and enzyme stability with special focus on the thermophilic and hyperthermophilic enzymes and proteins. After the introduction three original research manuscripts present the experimental data...

  9. A first-principles study of the dielectric properties of TiO{sub 2} polymorphs

    Energy Technology Data Exchange (ETDEWEB)

    Thilagam, A; Simpson, D J; Gerson, A R, E-mail: Thilagam.Lohe@unisa.edu.au, E-mail: Darren.Simpson@unisa.edu.au, E-mail: Andrea.Gerson@unisa.edu.au [Minerals and Materials Science and Technology, Mawson Institute, Division of IEEE, University of South Australia, Mawson Lakes Campus, South Australia 5095 (Australia)

    2011-01-19

    We present an analysis of the dielectric properties of the three polymorphs of TiO{sub 2} (rutile, anatase and brookite phases), using ab initio time-dependent density functional perturbation theory based on the Vignale-Kohn functional. We implement this functional, which incorporates many-body effects, using the periodic program BAND. The improved result for the density of states spectra for brookite is suggestive of increased titanium ion Jahn-Teller effects for this phase. The imaginary and real components of the frequency-dependent dielectric functions show notable dielectric anisotropies, with implications for excitonic interactions, for all three common phases of TiO{sub 2}. Comparison of the electron energy-loss spectrum for undoped and doped rutile and anatase reveals the critical role of collective charge excitations in photocatalytic mechanisms. The correlation between plasmon peaks present at lower energies and decreased photocatalytic activity due to substitutional aluminum doping in combination with oxygen vacancies in rutile and anatase is highlighted. Moreover, there is clear correlation between dielectric properties and the microstructure of the TiO{sub 2} polymorphs as suggested via the framework of the Born effective charge and Hirshfeld charge distribution schemes.

  10. A first-principles study of the dielectric properties of TiO2 polymorphs

    International Nuclear Information System (INIS)

    Thilagam, A; Simpson, D J; Gerson, A R

    2011-01-01

    We present an analysis of the dielectric properties of the three polymorphs of TiO 2 (rutile, anatase and brookite phases), using ab initio time-dependent density functional perturbation theory based on the Vignale-Kohn functional. We implement this functional, which incorporates many-body effects, using the periodic program BAND. The improved result for the density of states spectra for brookite is suggestive of increased titanium ion Jahn-Teller effects for this phase. The imaginary and real components of the frequency-dependent dielectric functions show notable dielectric anisotropies, with implications for excitonic interactions, for all three common phases of TiO 2 . Comparison of the electron energy-loss spectrum for undoped and doped rutile and anatase reveals the critical role of collective charge excitations in photocatalytic mechanisms. The correlation between plasmon peaks present at lower energies and decreased photocatalytic activity due to substitutional aluminum doping in combination with oxygen vacancies in rutile and anatase is highlighted. Moreover, there is clear correlation between dielectric properties and the microstructure of the TiO 2 polymorphs as suggested via the framework of the Born effective charge and Hirshfeld charge distribution schemes.

  11. Phase separation in strongly correlated electron systems with two types of charge carriers

    International Nuclear Information System (INIS)

    Kugel, K.I.; Rakhmanov, A.L.; Sboychakov, A.O.

    2007-01-01

    Full text: A competition between the localization of the charge carriers due to Jahn-Teller distortions and the energy gain due to their delocalization in doped manganite and related magnetic oxides is analyzed based on a Kondo-lattice type model. The resulting effective Hamiltonian is, in fact, a generalization of the Falicov-Kimball model. We find that the number of itinerant charge carriers can be significantly lower than that implied by the doping level x. The phase diagram of the model in the T plane is constructed. The system exhibits magnetic ordered (antiferromagnetic, ferromagnetic, or canted) states as well the paramagnetic states with zero and nonzero density of the itinerant electrons. It is shown that a phase-separation is favorable in energy for a wide doping range. The characteristic size of inhomogeneities in a phase-separated state is of the order of several lattice constants. We also analyzed the two-band Hubbard model in the limit of strong on-site Coulomb repulsion. It was shown that such a system has a tendency to phase separation into the regions with different charge densities even in the absence of magnetic or any other ordering, if the ratio of the bandwidths is large enough. The work was supported by the European project CoMePhS and by the Russian Foundation for Basic Research, project no. 05-02-17600. (authors)

  12. Theory and experimental evidence of phonon domains and their roles in pre-martensitic phenomena

    Science.gov (United States)

    Jin, Yongmei M.; Wang, Yu U.; Ren, Yang

    2015-12-01

    Pre-martensitic phenomena, also called martensite precursor effects, have been known for decades while yet remain outstanding issues. This paper addresses pre-martensitic phenomena from new theoretical and experimental perspectives. A statistical mechanics-based Grüneisen-type phonon theory is developed. On the basis of deformation-dependent incompletely softened low-energy phonons, the theory predicts a lattice instability and pre-martensitic transition into elastic-phonon domains via 'phonon spinodal decomposition.' The phase transition lifts phonon degeneracy in cubic crystal and has a nature of phonon pseudo-Jahn-Teller lattice instability. The theory and notion of phonon domains consistently explain the ubiquitous pre-martensitic anomalies as natural consequences of incomplete phonon softening. The phonon domains are characterised by broken dynamic symmetry of lattice vibrations and deform through internal phonon relaxation in response to stress (a particular case of Le Chatelier's principle), leading to previously unexplored new domain phenomenon. Experimental evidence of phonon domains is obtained by in situ three-dimensional phonon diffuse scattering and Bragg reflection using high-energy synchrotron X-ray single-crystal diffraction, which observes exotic domain phenomenon fundamentally different from usual ferroelastic domain switching phenomenon. In light of the theory and experimental evidence of phonon domains and their roles in pre-martensitic phenomena, currently existing alternative opinions on martensitic precursor phenomena are revisited.

  13. Unusual behavior of uranium dioxide at high magnetic fields. Part I

    Science.gov (United States)

    Gofryk, K.; Jaime, M.; Zapf, V.; Harrison, N.; Saul, A.; Radtke, G.; Lashley, J. C.; Salamon, M.; Andersson, A. D.; Stanek, C.; Durakiewicz, T.; Smith, J. L.

    UO2 is a Mott-Hubbard insulator with well-localized 5 f-electrons and its crystal structure is the face-centered-cubic fluorite. It experiences a first-order antiferromagnetic phase transition at 30.8 K to a non-collinear antiferromagnetic structure that remains a topic of debate. It is believed that the first order nature of the transition results from the competition between the exchange interaction and the Jahn-Teller distortion of oxygen atoms. Despite extensive experimental and theoretical efforts the nature of the competing degrees of freedom and their couplings (such as spin-phonon coupling) are still unclear. Here we present results of our extensive thermodynamic investigations, on well-characterized and oriented single crystals of UO2, focusing on magnetization M(T,H) measurements in DC and pulsed magnetic fields to up 65 T at the NHMFL. Work supported by the Department of Energy, Office of Basic Energy Sciences, Materials Sciences, and Engineering Division. The NHMFL Pulsed Field Facility is supported by the NSF, the U.S. D.O.E., and the State of Florida through NSF cooperative Grant DMR.

  14. Possible origin of photoconductivity in La0.7Ca0.3MnO3

    Science.gov (United States)

    Sagdeo, P. R.; Choudhary, R. J.; Phase, D. M.

    2010-01-01

    The effect of photon energy on the density of states near Fermi level of pulsed laser deposited La0.7Ca0.3MnO3 thin film has been studied to investigate the possible origin of change in the conductivity of these manganites upon photon exposure. For this purpose the photoelectron spectroscopy measurements were carried out using CSR beamline (BL-2) on Indus-1 synchrotron radiation source. The valance band spectra were measured at room temperature with photon energy ranging from 40 to 60 eV. We could see huge change in the density of states near Fermi level and this change is observed to be highest at 56 eV which is due to the resonance between Mn 3p to Mn 3d level. Our results suggest that the probability of electron transfer from deep Mn 3p level to Mn 3d-eg level is higher than that of Mn 3d-t2g level. It appears that this transfer of electron from deep Mn level to Mn 3d-eg level not only modifies the density of state near Fermi level but also changes the mobility of electrons by modifying the electron lattice coupling due to presence of Mn+3 Jahn-Teller ion.

  15. Condensed matter optical spectroscopy an illustrated introduction

    CERN Document Server

    Ionita, Iulian

    2014-01-01

    Molecular Symmetry and the Symmetry GroupsSymmetry Elements and Symmetry OperationsPoint Groups and Molecular SymmetrySymmetry Classification of MoleculesMatrix Representation of Symmetry TransformationGroup RepresentationsProperties of Irreducible RepresentationsTables of CharactersSymmetry of Crystals and Space GroupsRotation Groups and OperatorsExamples of SymmetryStudy QuestionsReferencesCrystal Field TheoryStates and Energies of Free Atoms and IonsOptical Spectra of Ionic CrystalsImpurities in Crystal Lattice: Splitting of Levels and Terms in Lattice SymmetryWeak Crystalline Field of Octahedral SymmetryEffect of a Weak Crystalline Field of Lower SymmetriesSplitting of Multielectron dn Configurations in the Crystalline FieldJahn-Teller EffectConstruction of Energy-Level DiagramsTanabe-Sugano DiagramsExample of the Co IonLimitations of the Crystal Field TheoryStudy QuestionsReferencesSymmetry and Molecular Orbitals TheoryMolecular OrbitalsHybridization Scheme for σ OrbitalsHybridization Scheme for π Orbi...

  16. An analysis for crack layer stability

    Science.gov (United States)

    Sehanobish, K.; Botsis, J.; Moet, A.; Chudnovsky, A.

    1986-01-01

    The problem of uncontrolled crack propagation and crack arrest is considered with respect to crack layer (CL) translational stability. CL propagation is determined by the difference between the energy release rate and the amount of energy required for material transformation, and necessary and sufficient conditions for CL instability are derived. CL propagation in polystyrene is studied for two cases. For the case of remotely applied fixed load fatigue, the sufficient condition of instability is shown to be met before the necessary condition, and the necessary condition controls the stability. For the fixed displacement case, neither of the instability conditions are met, and CL propagation remains stable, resulting in crack arrest.

  17. Are Stabilization Programs Expansionary?

    OpenAIRE

    Federico Echenique; Alvaro Forteza

    1997-01-01

    The empirical evidence presented in this paper casts serious doubts on the by now widely accepted "stylized facts" of the exchange rate based stabilization programs (ERBS) as they are stated in Kiguel and Liviatan (1992) and in Végh (1992). Even though the ERBS programs were associated with output booms, no evidence of booms provoked by the stabilization programs is found. Rather, exogenous capital inflows to Latin America seem to have caused both the output booms and the stabilization progra...

  18. Internet Addiction: Stability and Change

    Science.gov (United States)

    Huang, Chiungjung

    2010-01-01

    This longitudinal study examined five indices of stability and change in Internet addiction: structural stability, mean-level stability, differential stability, individual-level stability, and ipsative stability. The study sample was 351 undergraduate students from end of freshman year to end of junior year. Convergent findings revealed stability…

  19. Stability Zone of Natural Gas Hydrates in a Permafrost-Bearing Region of the Beaufort-Mackenzie Basin: Study of a Feasible Energy Source (Geological Survey of Canada Contribution No.1999275)

    International Nuclear Information System (INIS)

    Majorowicz, J. A.; Hannigan, P. K.

    2000-01-01

    Analysis of geological and geophysical data from 150 wells in the Beaufort-Mackenzie region(study area between 68 deg. 30'-70 deg. 00'N and 131 deg. -39 deg. W) led to reinterpretation of the depth of methane hydrate stability and construction of the first contour maps displaying thickness of hydrate stability zones as well as hydrate stability zone thicknesses below permafrost. Calculations were based on construction of temperature-depth profiles incorporating regional heat-flow values, temperature at the base of ice-bearing permafrost, and models relating thermal conductivity with depth. Data analysis indicates the presence and extent of the methane hydrate stability zone is related mainly to the history of permafrost development and less so by the relatively small regional variations of temperature gradients. Analysis of well logs and other indicators in conjunction with knowledge of the hydrate stability zone allows reevaluation of the location of possible gas hydrate occurrences. Log analysis indicates that in the onshore and shallow sea area of the Beaufort-Mackenzie Basin, methane hydrate occurs in 27 wells. Fifteen of these locations coincides with underlying conventional hydrocarbon occurrences. Previous analyses place some of the hydrate occurrences at greater depths than proposed for the methane hydrate stability zone described in this study. Interpretation of geological cross sections reveals that hydrates are related mainly to sandy deltaic and delta-plain deposits in Iperk, Kugmallit, and Reindeer sequences although additional hydrate picks have been inferred in other sequences, such as Richards. Overlying permafrost may act as seal for hydrate accumulations; however, the thickness of permafrost and its related hydrate stability zone fluctuated during geological time. It is interpreted that only in the last tens of thousand of years (i.e., Sangamonian to Holocene), conditions for hydrates changed from nonstable to stable. During Early and Late

  20. Stability of the Wurtzite Structure

    DEFF Research Database (Denmark)

    Lawætz, Peter

    1972-01-01

    An analysis of available data for 20 wurtzite compounds of the ANB8-N type shows that the stability as compared with zinc blende is closely connected with deviations of the c / a ratio from the ideal value of 1.633. A simple qualitative model is proposed to account for this feature. The variation...... in c / a is then correlated with the charge parameter ZC / ℏωp, where Z is the (effective) valence, C Phillips's electronegativity difference, and ℏωp the plasma energy of the free-valence-electron gas. The results indicate that c / a may be predicted with an uncertainty of 0.1%....

  1. Energy efficient lighting

    International Nuclear Information System (INIS)

    Aslam, M.

    1992-01-01

    The main sources of Pakistan's energy supply are oil, natural gas, coal, hydro power, nuclear power and liquefied petroleum gas. At present 75 % of total energy delivered is met through oil and gas. The limited resources and financial constraints have proved to be stumbling block in the way of prosperity and economics stability. Lighting is a conspicuous consumer of energy and thus an easy prey for saving drives which is indeed a very promising target for energy saving. (A.B.)

  2. Stabilization of gas turbine unit power

    Science.gov (United States)

    Dolotovskii, I.; Larin, E.

    2017-11-01

    We propose a new cycle air preparation unit which helps increasing energy power of gas turbine units (GTU) operating as a part of combined cycle gas turbine (CCGT) units of thermal power stations and energy and water supply systems of industrial enterprises as well as reducing power loss of gas turbine engines of process blowers resulting from variable ambient air temperatures. Installation of GTU power stabilizer at CCGT unit with electric and thermal power of 192 and 163 MW, respectively, has resulted in reduction of produced electrical energy production costs by 2.4% and thermal energy production costs by 1.6% while capital expenditures after installation of this equipment increased insignificantly.

  3. Energetics and chemical bonding of the 1,3,5-tridehydrobenzene triradical and its protonated form

    International Nuclear Information System (INIS)

    Hue Minh Thi Nguyen; Hoeltzl, Tibor; Gopakumar, G.; Veszpremi, Tamas; Peeters, Jozef; Minh Tho Nguyen

    2005-01-01

    not a diradical and has a doubly aromatic character. Aromaticity of the different compounds was studied within the ELF framework and the standard deviation of the bond lengths and bond orders. The Jahn-Teller distorted 2 A 1 and 2 B 2 (C 2v ) states of TDB were found to exhibit an aromaticity comparable to that of benzene. Overall protonation of the TDB reinforces the stability of the low-spin doublet states, the classical Hund's rule is not obeyed. In a view, these species could better be regarded as radicals than triradicals

  4. Energetics and chemical bonding of the 1,3,5-tridehydrobenzene triradical and its protonated form

    Energy Technology Data Exchange (ETDEWEB)

    Hue Minh Thi Nguyen [Department of Chemistry, University of Leuven, Celestijnenlaan 200F, B-3001 Heverlee, Leuven (Belgium); Faculty of Chemistry, University of Education, Hanoi (Viet Nam); Hoeltzl, Tibor [Department of Chemistry, University of Leuven, Celestijnenlaan 200F, B-3001 Heverlee, Leuven (Belgium); Department of Inorganic Chemistry, University of Technology and Economics Gellert ter 4, H-1521-Budapest (Hungary); Gopakumar, G. [Department of Chemistry, University of Leuven, Celestijnenlaan 200F, B-3001 Heverlee, Leuven (Belgium); Veszpremi, Tamas [Department of Inorganic Chemistry, University of Technology and Economics Gellert ter 4, H-1521-Budapest (Hungary); Peeters, Jozef [Department of Chemistry, University of Leuven, Celestijnenlaan 200F, B-3001 Heverlee, Leuven (Belgium); Minh Tho Nguyen [Department of Chemistry, University of Leuven, Celestijnenlaan 200F, B-3001 Heverlee, Leuven (Belgium)], E-mail: minh.nguyen@chem.kuleuven.be

    2005-09-19

    radical character. There is no C3-C5 bond in the {sup 2}A{sub 1} state of TDB, but the interaction between these atoms is strong. The ground state of cation C{sub 6}H{sub 3}{sup +} (DHP), {sup 1}A{sub 1}, is not a diradical and has a doubly aromatic character. Aromaticity of the different compounds was studied within the ELF framework and the standard deviation of the bond lengths and bond orders. The Jahn-Teller distorted {sup 2}A{sub 1} and {sup 2}B{sub 2}(C{sub 2v}) states of TDB were found to exhibit an aromaticity comparable to that of benzene. Overall protonation of the TDB reinforces the stability of the low-spin doublet states, the classical Hund's rule is not obeyed. In a view, these species could better be regarded as radicals than triradicals.

  5. A one-step in-situ assembly strategy to construct PEG@MOG-100-Fe shape-stabilized composite phase change material with enhanced storage capacity for thermal energy storage

    Science.gov (United States)

    Wang, Junyong; Andriamitantsoa, Radoelizo S.; Atinafu, Dimberu G.; Gao, Hongyi; Dong, Wenjun; Wang, Ge

    2018-03-01

    A novel in-situ assembly strategy has been developed to synthesis polyethylene glycol (PEG)@iron-benzenetricarboxylate metal-organic gel (MOG-100-Fe) shape-stabilized composite phase change materials by regulating metal-to-ligand ratio. The PEG@MOG-100-Fe was prepared by an ingenious introduction of PEG into the traditional sol-gel prepared MOG-100-Fe. The composite exhibited high heat storage density and thermal stability. The PEG loading content reached up to 92% without any leakage above its melting point. The heat storage density reaches to 152.88

  6. Contemporary energy storage sources. Energy saving

    International Nuclear Information System (INIS)

    Manev, Veselin

    2011-01-01

    The development of renewable energy system for electricity production is impede because of needs to be stabilized with nearly equivalent installed power of energy storage devices. The development of more electrical energy storage facilities will be extremely important for electricity generation in the future. Using hydro pumping, combined with a long life and fast charge/discharge rate, highly efficient contemporary power energy storage as Altairnano lithium ion battery, currently is seems to be the best solution for fast penetration rate of wind and solar energy systems

  7. Beam stabilization at SPEAR

    International Nuclear Information System (INIS)

    Corbett, J.

    1996-01-01

    The SPEAR storage ring began routine synchrotron radiation operation with a dedicated injector in 1990. Since then, a program to improve beam stability has steadily progressed. This paper, based on a seminar given at a workshop on storage ring optimization (1995 SRI conference) reviews the beam stability program for SPEAR. copyright 1996 American Institute of Physics

  8. Visual attention and stability

    NARCIS (Netherlands)

    Mathot, Sebastiaan; Theeuwes, Jan

    2011-01-01

    In the present review, we address the relationship between attention and visual stability. Even though with each eye, head and body movement the retinal image changes dramatically, we perceive the world as stable and are able to perform visually guided actions. However, visual stability is not as

  9. Electrode stabilizing materials

    Science.gov (United States)

    Amine, Khalil; Abouimrane, Ali; Moore, Jeffrey S.; Odom, Susan A.

    2015-11-03

    An electrolyte includes a polar aprotic solvent; an alkali metal salt; and an electrode stabilizing compound that is a monomer, which when polymerized forms an electrically conductive polymer. The electrode stabilizing compound is a thiophene, a imidazole, a anilines, a benzene, a azulene, a carbazole, or a thiol. Electrochemical devices may incorporate such electrolytes.

  10. Homological stabilizer codes

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, Jonas T., E-mail: jonastyleranderson@gmail.com

    2013-03-15

    In this paper we define homological stabilizer codes on qubits which encompass codes such as Kitaev's toric code and the topological color codes. These codes are defined solely by the graphs they reside on. This feature allows us to use properties of topological graph theory to determine the graphs which are suitable as homological stabilizer codes. We then show that all toric codes are equivalent to homological stabilizer codes on 4-valent graphs. We show that the topological color codes and toric codes correspond to two distinct classes of graphs. We define the notion of label set equivalencies and show that under a small set of constraints the only homological stabilizer codes without local logical operators are equivalent to Kitaev's toric code or to the topological color codes. - Highlights: Black-Right-Pointing-Pointer We show that Kitaev's toric codes are equivalent to homological stabilizer codes on 4-valent graphs. Black-Right-Pointing-Pointer We show that toric codes and color codes correspond to homological stabilizer codes on distinct graphs. Black-Right-Pointing-Pointer We find and classify all 2D homological stabilizer codes. Black-Right-Pointing-Pointer We find optimal codes among the homological stabilizer codes.

  11. Stabilized radiographic scanning agent

    International Nuclear Information System (INIS)

    Fawzi, M.B.

    1979-01-01

    A stable composition useful in preparation of technetium-99m-based radiographic scanning agents has been developed. The composition contains a stabilizing amount of gentisate stabilizer selected from gentisic acid and its soluble pharmaceutically-acceptable salts and esthers. (E.G.)

  12. Problems support economic stability

    OpenAIRE

    Tkach, Ivan

    2012-01-01

    . The article is devoted to summarizing the approaches to the classification of the stability of the state's economy, identifying the main characteristics, and offers the author's vision for the classification of the stability of the economy of the state under various conditions of operation.

  13. Stability of multihypernuclear objects

    International Nuclear Information System (INIS)

    Ikram, M.; Rather, Asloob A.; Usmani, A.A.; Patra, S.K.

    2016-01-01

    In present work, we analyze the stability of multi-hypernuclear objects having higher content of strangeness. The aim of this work is to test the stability of such objects which might be produced in heavy-ion reactions. Studies of such type of systems might have great implication to nuclear-astrophysics

  14. Conformational stability of calreticulin

    DEFF Research Database (Denmark)

    Jørgensen, C.S.; Trandum, C.; Larsen, N.

    2005-01-01

    The conformational stability of calreticulin was investigated. Apparent unfolding temperatures (T-m) increased from 31 degrees C at pH 5 to 51 degrees C at pH 9, but electrophoretic analysis revealed that calreticulin oligomerized instead of unfolding. Structural analyses showed that the single C......-terminal a-helix was of major importance to the conformational stability of calreticulin....

  15. Stability of Organic Nanowires

    DEFF Research Database (Denmark)

    Balzer, F.; Schiek, M.; Wallmann, I.

    2011-01-01

    The morphological stability of organic nanowires over time and under thermal load is of major importance for their use in any device. In this study the growth and stability of organic nanowires from a naphthyl end-capped thiophene grown by organic molecular beam deposition is investigated via ato...

  16. Trapping, self-trapping and the polaron family

    International Nuclear Information System (INIS)

    Stoneham, A M; Gavartin, J; Shluger, A L; Kimmel, A V; Ramo, D Munoz; Roennow, H M; Aeppli, G; Renner, C

    2007-01-01

    The earliest ideas of the polaron recognized that the coupling of an electron to ionic vibrations would affect its apparent mass and could effectively immobilize the carrier (self-trapping). We discuss how these basic ideas have been generalized to recognize new materials and new phenomena. First, there is an interplay between self-trapping and trapping associated with defects or with fluctuations in an amorphous solid. In high dielectric constant oxides, like HfO 2 , this leads to oxygen vacancies having as many as five charge states. In colossal magnetoresistance manganites, this interplay makes possible the scanning tunnelling microscopy (STM) observation of polarons. Second, excitons can self-trap and, by doing so, localize energy in ways that can modify the material properties. Third, new materials introduce new features, with polaron-related ideas emerging for uranium dioxide, gate dielectric oxides, Jahn-Teller systems, semiconducting polymers and biological systems. The phonon modes that initiate self-trapping can be quite different from the longitudinal optic modes usually assumed to dominate. Fourth, there are new phenomena, like possible magnetism in simple oxides, or with the evolution of short-lived polarons, like muons or excitons. The central idea remains that of a particle whose properties are modified by polarizing or deforming its host solid, sometimes profoundly. However, some of the simpler standard assumptions can give a limited, indeed misleading, description of real systems, with qualitative inconsistencies. We discuss representative cases for which theory and experiment can be compared in detail

  17. Optical investigations of La0.7Ca0.3-xKxMnO3 (x = 0.00, 0.05 and 0.10 probed by spectroscopic ellipsometry

    Directory of Open Access Journals (Sweden)

    N. Sdiri

    2012-07-01

    Full Text Available Using spectroscopic ellipsometry, we have studied the optical properties of doped manganites at the paramagnetic state in polycrystalline La0.7Ca0.3-xKxMnO3 samples for (x = 0.00, 0.05 and 0.10 in the energy range of 3.2-5.5 eV at room temperature. The surface morphology of the samples was obtained by using atomic force microscopy (AFM. Refractive indices, extinction coefficients, the transmission ellipsometric parameters Ψ and Δ are investigated at different wavelengths. The study of the optical conductivity σ reveals that optical behaviour and the activated transport in the paramagnetic state of these materials are consistent with Jahn-Teller small polaron. In addition, the spectrum of the complex dielectric constant ε reveals peaks for all samples, the results may be explained by the presence of space charges from the strongly dipole-allowed O(2p−Mn(3d transition.

  18. Interplay between electron-phonon and electron-electron interactions

    International Nuclear Information System (INIS)

    Roesch, O.; Gunnarsson, O.; Han, J.E.; Crespi, V.H.

    2005-01-01

    We discuss the interplay between electron-electron and electron-phonon interactions for alkali-doped fullerides and high temperature superconductors. Due to the similarity of the electron and phonon energy scales, retardation effects are small for fullerides. This raises questions about the origin of superconductivity, since retardation effects are believed to be crucial for reducing effects of the Coulomb repulsion in conventional superconductors. We demonstrate that by treating the electron-electron and electron-phonon interactions on an equal footing, superconductivity can be understood in terms of a local pairing. The Jahn-Teller character of the important phonons in fullerides plays a crucial role for this result. To describe effects of phonons in cuprates, we derive a t-J model with phonons from the three-band model. Using exact diagonalization for small clusters, we find that the anomalous softening of the half-breathing phonon as well as its doping dependence can be explained. By comparing the solution of the t-J model with the Hartree-Fock approximation for the three-band model, we address results obtained in the local-density approximation for cuprates. We find that genuine many-body results, due to the interplay between the electron-electron and electron-phonon interactions, play an important role for the the results in the t-J model. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. High resolution photoemission study of Nd1-xSrxMnO3

    International Nuclear Information System (INIS)

    Togashi, T.; Osawa, H.; Shin, S.; Tanaka, K.; Isozumi, Y.; Iwazumi, T.; Nozawa, S.

    2004-01-01

    Full text:Nd 1-x SrxMnO 3 shows the negative colossal magnetoresistance and various electronic phases. In order to reveal their states, we have performed a high- resolution Mn 2p-3d resonance photoemission (RPES) study of Nd 1-x SrxMnO 3 with an energy resolution of 100 meV at BL25SU in SPring-8. Figure 1 shows the Mn 2p-3d RPES spectra of Nd 1-x SrxMnO 3 . It is found that the spectral line shape in the ground-state phases (GS) at low temperatures is closely related to the shape of MnO 6 octahedra depending on x due to a static Jahn- Teller (JT) effect while the line shape in the paramagnetic insulator (PI) phase near room temperature is qualitatively similar to each other irrespective of x. These results strongly suggest that the dynamical and static JT effects are responsible for the 3d electronic states at high and low temperatures, respectively

  20. Equilibrium Structure of Manganese Trifluoride (MnF3) Molecule

    International Nuclear Information System (INIS)

    Caliskan, M.

    2004-01-01

    The symmetry lowering in manganese trifluoride molecule due to Jahn-Teller distortion was demonstrated in both the experimental and computational results. The molecule does not have D 3 h (or C 3 v) symmetry, rather it has C 2 v symmetry it has been shown from electron-diffraction measurements, that even a molecule of D 3 h symmetry in its equilibrium geometry would appear as having C 3 v symmetry. The manganese trifluoride molecular structures is an example of concerted applications of electron diffraction experiment and computation. It was found two lower energy structures with C 2 v symmetry, one corresponding to the ground state and another corresponding to the transition state. In this work we have calculate the equilibrium structure of the MnF 3 in the C 2 v configuration using the Interionic Force Model. We have compared our results for equilibrium bond lengths and bond angles with measured values from electron diffraction and with the results of quantum chemical calculations. The agreement can be considered as very reasonable

  1. Magnetotransport properties of La0.67Ca0.33MnO3 with different grain sizes

    International Nuclear Information System (INIS)

    Ewe, L.S.; Hamadneh, I.; Salama, H.; Halim, S.A.; Hamid, N.A.; Abd-Shukor, R.

    2009-01-01

    The magnetotransport and magnetoresistive (MR) properties of manganese-based La 0.67 Ca 0.33 MnO 3 perovskite with different grain sizes are reported. The electrical resistivity was measured as a function of temperature in magnetic fields of 0.5 and 1 T. The insulator-metal transition temperature, T IM , shifted to a higher temperature with the application of the magnetic field. In zero field, T IM is almost constant (∝271 K) for all samples except for the sample with the largest grain size, where T IM =265 K. The temperature dependence of resistivity was fitted with several equations in the metallic (ferromagnetic) region and the insulating (paramagnetic) region. The density of states at the Fermi level, N(E F ), and the activation energy of electron hopping were estimated by fitting the resistivity versus temperature curves. The ρ-T 2 curves are nearly linear in the metallic regime, but the ρ-T 2.5 curves exhibit a deviation from linearity. The variable range hopping model and small polaron hopping model fit the data well in the high-temperature region, indicating the existence of the Jahn-Teller distortion that localizes the charge carriers. MR was found to increase with an increase in the magnetic field, an effect which is attributed to the intergrain spin tunneling effect. (orig.)

  2. Algebraic Topology Foundations of Supersymmetry and Symmetry Breaking in Quantum Field Theory and Quantum Gravity: A Review

    Directory of Open Access Journals (Sweden)

    Ion C. Baianu

    2009-04-01

    Full Text Available A novel algebraic topology approach to supersymmetry (SUSY and symmetry breaking in quantum field and quantum gravity theories is presented with a view to developing a wide range of physical applications. These include: controlled nuclear fusion and other nuclear reaction studies in quantum chromodynamics, nonlinear physics at high energy densities, dynamic Jahn-Teller effects, superfluidity, high temperature superconductors, multiple scattering by molecular systems, molecular or atomic paracrystal structures, nanomaterials, ferromagnetism in glassy materials, spin glasses, quantum phase transitions and supergravity. This approach requires a unified conceptual framework that utilizes extended symmetries and quantum groupoid, algebroid and functorial representations of non-Abelian higher dimensional structures pertinent to quantized spacetime topology and state space geometry of quantum operator algebras. Fourier transforms, generalized Fourier-Stieltjes transforms, and duality relations link, respectively, the quantum groups and quantum groupoids with their dual algebraic structures; quantum double constructions are also discussed in this context in relation to quasi-triangular, quasi-Hopf algebras, bialgebroids, Grassmann-Hopf algebras and higher dimensional algebra. On the one hand, this quantum algebraic approach is known to provide solutions to the quantum Yang-Baxter equation. On the other hand, our novel approach to extended quantum symmetries and their associated representations is shown to be relevant to locally covariant general relativity theories that are consistent with either nonlocal quantum field theories or local bosonic (spin models with the extended quantum symmetry of entangled, 'string-net condensed' (ground states.

  3. Frequency effects on charge ordering in Y0.5Ca0.5MnO3 by impedance spectroscopy

    Science.gov (United States)

    Sarwar, Tuba; Qamar, Afzaal; Nadeem, Muhammad

    2015-02-01

    In this work, structural and electrical properties of Y0.5Ca0.5MnO3 are investigated by employing X-ray diffraction and impedance spectroscopy, respectively. Applied ac electric field showed the charge ordering transition temperature around 265 K and below this temperature the heteromorphic behavior of the sample is discussed in the proximity of TCO. With frequency effects the volume of robust charge orbital ordering (COO) domains diminishes due to different competing phases along with Jahn Teller distortions. Comprehensive melting and collapse of charge orbital ordering occurs below TN(125 K), where a colossal drop in the value of impedance is observed. The change in profile of modulus plane plots determines the spreading of relaxation time of intermingled phases. Hopping mechanism is elaborated in terms of strong electron phonon coupling. Variable range hopping model and Arrhenius model are used to discuss the short and long range hopping between Mn3+ and Mn4+ channels assessing the activation energy Ea.

  4. Quasi-Particle Relaxation and Quantum Femtosecond Magnetism in Non-Equilibrium Phases of Insulating Manganites

    Science.gov (United States)

    Perakis, Ilias; Kapetanakis, Myron; Lingos, Panagiotis; Barmparis, George; Patz, A.; Li, T.; Wang, Jigang

    We study the role of spin quantum fluctuations driven by photoelectrons during 100fs photo-excitation of colossal magneto-resistive manganites in anti-ferromagnetic (AFM) charge-ordered insulating states with Jahn-Teller distortions. Our mean-field calculation of composite fermion excitations demonstrates that spin fluctuations reduce the energy gap by quasi-instantaneously deforming the AFM background, thus opening a conductive electronic pathway via FM correlation. We obtain two quasi-particle bands with distinct spin-charge dynamics and dependence on lattice distortions. To connect with fs-resolved spectroscopy experiments, we note the emergence of fs magnetization in the low-temperature magneto-optical signal, with threshold dependence on laser intensity characteristic of a photo-induced phase transition. Simultaneously, the differential reflectivity shows bi-exponential relaxation, with fs component, small at low intensity, exceeding ps component above threshold for fs AFM-to-FM switching. This suggests the emergence of a non-equilibrium metallic FM phase prior to establishment of a new lattice structure, linked with quantum magnetism via spin/charge/lattice couplings for weak magnetic fields.

  5. Effects of rare-earth size on the electronic structure of La1−xLuxVO3.

    Science.gov (United States)

    Chen, B; Laverock, J; Newby, D; McNulty, J F; Smith, K E; Glans, P-A; Guo, J-H; Qiao, R-M; Yang, W-L; Lees, M R; Tung, L D; Singh, R P; Balakrishnan, G

    2015-03-18

    The electronic structure of La(1-x)Lu(x)VO(3)(x = 0, 0.2, 0.6 and 1) single crystals has been investigated using soft x-ray absorption spectroscopy, soft x-ray emission spectroscopy, and resonant soft x-ray inelastic scattering to study the effects of rare-earth size. The x-ray absorption and emission spectra at the O K-edge present a progressive evolution with R-site cation, in agreement with local spin density approximation calculations. This evolution with R, together with the temperature dependence of the O K-edge spectra, is attributed to changes in the crystal structure of La(1-x)Lu(x)VO(3). The crystal-field dd. excitations probed by resonant inelastic x-ray scattering at the V L(3)-edge exhibit an increase in energy and enhanced intensity with the decrease of R-site ionic radius, which is mainly attributed to the increased tilting magnitude of the VO(6) octahedra. Upon cooling to ~95 K, the dd* excitations are prominently enhanced in relative Intensity, in agreement with the formation of the Jahn.Teller distortion int he orbital ordering phase. Additionally, the dd* transitions of the mixed compounds are noticeably suppressed with respect to those of the pure compounds, possibly owing to the formation of C-type orbital ordering induced by large R-site size variances.

  6. Stability of fluid motions I

    CERN Document Server

    Joseph, Daniel D

    1976-01-01

    The study of stability aims at understanding the abrupt changes which are observed in fluid motions as the external parameters are varied. It is a demanding study, far from full grown"whose most interesting conclusions are recent. I have written a detailed account of those parts of the recent theory which I regard as established. Acknowledgements I started writing this book in 1967 at the invitation of Clifford Truesdell. It was to be a short work on the energy theory of stability and if I had stuck to that I would have finished the writing many years ago. The theory of stability has developed so rapidly since 1967 that the book I might then have written would now have a much too limited scope. I am grateful to Truesdell, not so much for the invitation to spend endless hours of writing and erasing, but for the generous way he has supported my efforts and encouraged me to higher standards of good work. I have tried to follow Truesdell's advice to write this work in a clear and uncomplicated style. This is not ...

  7. The statistical stability phenomenon

    CERN Document Server

    Gorban, Igor I

    2017-01-01

    This monograph investigates violations of statistical stability of physical events, variables, and processes and develops a new physical-mathematical theory taking into consideration such violations – the theory of hyper-random phenomena. There are five parts. The first describes the phenomenon of statistical stability and its features, and develops methods for detecting violations of statistical stability, in particular when data is limited. The second part presents several examples of real processes of different physical nature and demonstrates the violation of statistical stability over broad observation intervals. The third part outlines the mathematical foundations of the theory of hyper-random phenomena, while the fourth develops the foundations of the mathematical analysis of divergent and many-valued functions. The fifth part contains theoretical and experimental studies of statistical laws where there is violation of statistical stability. The monograph should be of particular interest to engineers...

  8. Dynamic stabilization of imploding liquid metal liner

    International Nuclear Information System (INIS)

    Itoh, Yasuyuki; Fujiie, Yoichi

    1979-01-01

    The rotational stabilization has been proposed against the Rayleigh-Taylor instability of the imploding liquid metal liner. In this paper, the discussion is made on the possibility of the dynamic stabilization by applying the oscillating azimuthal magnetic field in addition to the axial field. In contrast to the rotational stabilization, the required (field) energy for this stabilization is also used for the liner driving or the plasma confinement. In the analysis, the liner subjected to the acceleration is assumed to be infinitely long, at rest and have the situation at the start of the implosion or turnaround. At turnaround, the existence of the plasma is taken into account. The perturbed motion of the liner is discussed with a linear stability analysis. Results are as follows: (1) The dynamic stabilization at the start of the implosion is possible if the distance from the conducting wall to the liner outer surface is comparable with or less than the liner thickness. (2) At turnaround, the stability is improved with decreasing the ratio of the plasma radius to that of the liner inner surface however the kink mode (m = 1) cannot be suppressed. (author)

  9. A study on stability of rotating magnets

    International Nuclear Information System (INIS)

    Higuchi, N.; Kaiho, K.; Ishii, I.

    1996-01-01

    Superconducting power generators are being developed in Japan, as a part of a R and D program on energy technology, the New Sunshine Project. In this development, national laboratories are taking a role of fundamental studies to contribute to the R and D being carried out mainly by the manufacturers involved in a research association, Super-GM. Stabilities of magnets in a high gravitational field up to 2,000 G are discussed, based upon the experimental results of forced quench tests in a set of rotating magnets, in order to establish the stability design criterion of field windings of superconducting generators. Relations of propagation velocities, recovery currents, minimum quench energy and heat transfer characteristics are studied, a good agreement between the experimental results and a theory confirmed the improvement of magnet stability in a high gravitational field because of the enhanced heat transfer characteristics

  10. Sawtooth stabilization by energetic trapped particles

    International Nuclear Information System (INIS)

    White, R.B.; Rutherford, P.H.; Colestock, P.; Bussac, M.N.

    1988-03-01

    Recent experiments involving high power radio-frequency heating of a tokamak plasma show strong suppression of the sawtooth oscillation. A high energy trapped particle population is shown to have a strong stabilizing effect on the internal resistive kink mode. Numerical calculations are in reasonable agreement with experiment. 13 refs., 2 figs

  11. Radioactive decays at limits of nuclear stability

    DEFF Research Database (Denmark)

    Pfützner, M.; Karny, M.; Grigorenko, L. V.

    2012-01-01

    , and their relative probabilities. When approaching limits of nuclear stability, new decay modes set in. First, beta decays are accompanied by emission of nucleons from highly excited states of daughter nuclei. Second, when the nucleon separation energy becomes negative, nucleons start being emitted from the ground...

  12. A model for phase stability under irradiation

    International Nuclear Information System (INIS)

    Abromeit, C.

    The combination of two theoretical models leads to modified criteria of stability of precipitates under heavy particle irradiation. The size of existing or under irradiation newly formed precipitates is limited by a stable radius. Precipitate surface energy effects are included in a consistent manner

  13. Rotational stabilization of q < 1 modes

    International Nuclear Information System (INIS)

    Waelbroeck, F.L.; Aydemir, A.Y.

    1996-01-01

    Analyses of high performance discharges with central safety factor below unity have shown that the ideal Magnetohydrodynamic stability threshold for the n=1 kink mode is often violated with impunity. For TFTR (Tokamak Fusion Test Reactor) supershots, the experimental observations can be explained by diamagnetic stabilization of the reconnecting model provided that the fluid free energy is suitably reduced by trapped particle effects. For the broader profiles typical of other high confinement regimes, however, diamagnetic effects cannot account for the experimental results. Furthermore, there is evidence that the Mercier stability condition can also be violated in some cases. Here, we show that toroidal rotation of the plasma can stabilize the kink mode even in the presence of resistivity in configurations that would otherwise be ideally unstable. Two effects can be distinguished. The first effect consists in a reduction of the ideal driving energy. This can be understood in view of the fact that, to a good approximation, the internal kink is a rigid body displacement combining a tilt of the plasma inside the q = 1 surface with a translation along the tilt axis. In the presence of rotation, this displacement must be accompanied by a precessional motion so as to conserve angular momentum. The kinetic energy of the precessional motion must be extracted from the energy driving the displacement. The second effect of rotation is to resolve the Alfven singularity. This is a consequence of the pressure perturbation caused by the equilibrium variation of the entropy within the flux surfaces. It results in the stabilization of resistive as well as weak ideal instabilities, including Mercier modes. For rotationally stabilized equilibria, it also implies the presence of a neutrally stable mode with frequency of the order of the growth rate of the internal kink

  14. Dispersal and metapopulation stability

    Directory of Open Access Journals (Sweden)

    Shaopeng Wang

    2015-10-01

    Full Text Available Metapopulation dynamics are jointly regulated by local and spatial factors. These factors may affect the dynamics of local populations and of the entire metapopulation differently. Previous studies have shown that dispersal can stabilize local populations; however, as dispersal also tends to increase spatial synchrony, its net effect on metapopulation stability has been controversial. Here we present a simple metapopulation model to study how dispersal, in interaction with other spatial and local processes, affects the temporal variability of metapopulations in a stochastic environment. Our results show that in homogeneous metapopulations, the local stabilizing and spatial synchronizing effects of dispersal cancel each other out, such that dispersal has no effect on metapopulation variability. This result is robust to moderate heterogeneities in local and spatial parameters. When local and spatial dynamics exhibit high heterogeneities, however, dispersal can either stabilize or destabilize metapopulation dynamics through various mechanisms. Our findings have important theoretical and practical implications. We show that dispersal functions as a form of spatial intraspecific mutualism in metapopulation dynamics and that its effect on metapopulation stability is opposite to that of interspecific competition on local community stability. Our results also suggest that conservation corridors should be designed with appreciation of spatial heterogeneities in population dynamics in order to maximize metapopulation stability.

  15. Evaluation of stabilization techniques for ion implant processing

    Science.gov (United States)

    Ross, Matthew F.; Wong, Selmer S.; Minter, Jason P.; Marlowe, Trey; Narcy, Mark E.; Livesay, William R.

    1999-06-01

    With the integration of high current ion implant processing into volume CMOS manufacturing, the need for photoresist stabilization to achieve a stable ion implant process is critical. This study compares electron beam stabilization, a non-thermal process, with more traditional thermal stabilization techniques such as hot plate baking and vacuum oven processing. The electron beam processing is carried out in a flood exposure system with no active heating of the wafer. These stabilization techniques are applied to typical ion implant processes that might be found in a CMOS production process flow. The stabilization processes are applied to a 1.1 micrometers thick PFI-38A i-line photoresist film prior to ion implant processing. Post stabilization CD variation is detailed with respect to wall slope and feature integrity. SEM photographs detail the effects of the stabilization technique on photoresist features. The thermal stability of the photoresist is shown for different levels of stabilization and post stabilization thermal cycling. Thermal flow stability of the photoresist is detailed via SEM photographs. A significant improvement in thermal stability is achieved with the electron beam process, such that photoresist features are stable to temperatures in excess of 200 degrees C. Ion implant processing parameters are evaluated and compared for the different stabilization methods. Ion implant system end-station chamber pressure is detailed as a function of ion implant process and stabilization condition. The ion implant process conditions are detailed for varying factors such as ion current, energy, and total dose. A reduction in the ion implant systems end-station chamber pressure is achieved with the electron beam stabilization process over the other techniques considered. This reduction in end-station chamber pressure is shown to provide a reduction in total process time for a given ion implant dose. Improvements in the ion implant process are detailed across

  16. Stability of molecular dynamics simulations of classical systems

    DEFF Research Database (Denmark)

    Toxværd, Søren

    2012-01-01

    The existence of a shadow Hamiltonian for discrete classical dynamics, obtained by an asymptotic expansion for a discrete symplectic algorithm, is employed to determine the limit of stability for molecular dynamics (MD) simulations with respect to the time-increment h of the discrete dynamics....... The investigation is based on the stability of the shadow energy, obtained by including the first term in the asymptotic expansion, and on the exact solution of discrete dynamics for a single harmonic mode. The exact solution of discrete dynamics for a harmonic potential with frequency ω gives a criterion...... for the limit of stability h ⩽ 2/ω. Simulations of the Lennard-Jones system and the viscous Kob-Andersen system show that one can use the limit of stability of the shadow energy or the stability criterion for a harmonic mode on the spectrum of instantaneous frequencies to determine the limit of stability of MD...

  17. Life raft stabilizer

    Science.gov (United States)

    Radnofsky, M. I.; Barnett, J. H., Jr.; Harrison, F. L.; Marak, R. J. (Inventor)

    1973-01-01

    An improved life raft stabilizer for reducing rocking and substantially precluding capsizing is discussed. The stabilizer may be removably attached to the raft and is defined by flexible side walls which extend a considerable depth downwardly to one another in the water. The side walls, in conjunction with the floor of the raft, form a ballast enclosure. A weight is placed in the bottom of the enclosure and water port means are provided in the walls. Placement of the stabilizer in the water allows the weighted bottom to sink, producing submerged deployment thereof and permitting water to enter the enclosure through the port means, thus forming a ballast for the raft.

  18. Gravity stabilizes itself

    International Nuclear Information System (INIS)

    Chakraborty, Sumanta; SenGupta, Soumitra

    2017-01-01

    We show that a possible resolution to the stabilization of an extra spatial dimension (radion) can be obtained solely in the context of gravitational dynamics itself without the necessity of introducing any external stabilizing field. In this scenario the stabilized value of the radion field gets determined in terms of the parameters appearing in the higher curvature gravitational action. Furthermore, the mass of the radion field and its coupling to the standard model fields are found to be in the weak scale implying possible signatures in the TeV scale colliders. Some resulting implications are also discussed. (orig.)

  19. Gravity stabilizes itself

    Energy Technology Data Exchange (ETDEWEB)

    Chakraborty, Sumanta; SenGupta, Soumitra [Indian Association for the Cultivation of Science, Department of Theoretical Physics, Kolkata (India)

    2017-08-15

    We show that a possible resolution to the stabilization of an extra spatial dimension (radion) can be obtained solely in the context of gravitational dynamics itself without the necessity of introducing any external stabilizing field. In this scenario the stabilized value of the radion field gets determined in terms of the parameters appearing in the higher curvature gravitational action. Furthermore, the mass of the radion field and its coupling to the standard model fields are found to be in the weak scale implying possible signatures in the TeV scale colliders. Some resulting implications are also discussed. (orig.)

  20. Transportation Energy - Sandia Energy

    Science.gov (United States)

    Energy Energy Secure & Sustainable Energy Future Search Icon Sandia Home Locations Contact Us Employee Locator Menu Stationary Power solar Energy Conversion Efficiency Increasing the amount of electricity produced from a given thermal energy input. Solar Energy Wind Energy Water Power Supercritical CO2