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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)
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.
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
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 +
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.
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
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
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
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.
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.
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
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.
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.
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
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
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.)
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
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.
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.)
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

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+....
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...
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)
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.
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.
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.)
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.
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.
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.)
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...
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.
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)
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.
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
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.
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...
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.
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)
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)
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)

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
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.
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.
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
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.
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
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.
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
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.
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.
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.
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).
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
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.
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)
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.
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
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.
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.
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.)

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.
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.
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.
The vibrational Jahn–Teller effect in E⊗e systems

Energy Technology Data Exchange (ETDEWEB)

Thapaliya, Bishnu P.; Dawadi, Mahesh B.; Ziegler, Christopher; Perry, David S., E-mail: dperry@uakron.edu

2015-10-16

Highlights: • The vibrational Jahn–Teller effect is documented for three E⊗e molecular systems. • The spontaneous vibrational Jahn–Teller distortion is very small. • Vibrational Jahn–Teller splittings are substantial (1–60 cm{sup −1}). • Vibrational conical intersections in CH{sub 3}OH are accessible at low energies. - Abstract: The Jahn–Teller theorem is applied in the vibrational context where degenerate high-frequency vibrational states (E) are considered as adiabatic functions of low-frequency vibrational coordinates (e). For CH{sub 3}CN and Cr(C{sub 6}H{sub 6})(CO){sub 3}, the global minimum of the non-degenerate electronic potential energy surface occurs at the C{sub 3v} geometry, but in CH{sub 3}OH, the equilibrium geometry is far from the C{sub 3v} reference geometry. In the former cases, the computed spontaneous Jahn–Teller distortion is exceptionally small. In methanol, the vibrational Jahn–Teller interaction results in the splitting of the degenerate E-type CH stretch into what have been traditionally assigned as the distinct ν{sub 2} and ν{sub 9} vibrational bands. The ab initio vibrational frequencies are fit precisely by a two-state high-order Jahn–Teller Hamiltonian (Viel and Eisfeld, 2004). The presence of vibrational conical intersections, including 7 for CH{sub 3}OH, has implications for spectroscopy, for geometric phase, and for ultrafast localized non-adiabatic energy transfer.
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.
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....
Gamow-Teller Strength Distributions for Some Magic Nuclei

Directory of Open Access Journals (Sweden)

Necla ÇAKMAK

2014-12-01

Full Text Available The total Gamow-Teller strengths and their energy distributions for 96Zr, 96Sr, 54Ca, 28O, 24C and 14C have been obtained within the framework of Random Phase Approximation (RPA. The effective interaction potential has been described by considering the commutativity of the Gamow-Teller operator with the central part of the nuclear Hamiltonian.
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.
Energy spectra of the hyperbolic and second Poeschl-Teller like potentials solved by new exact quantization rule

International Nuclear Information System (INIS)

Dong Shihai; Gonzalez-Cisneros, A.

2008-01-01

A new exact quantization rule simplifies the calculation of the energy levels for the exactly solvable quantum system. In this work we calculate the energy levels of the Schroedinger equation with the hyperbolic potential by this quantization rule. The corresponding eigenfunction is also derived for completeness. The second Poeschl-Teller like potential case is also carried out
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...
Edward Teller Biographical Memoir

Energy Technology Data Exchange (ETDEWEB)

Libby, S B; Sessler, A M

2009-07-27

Edward Teller died on September 9, 2003 in Stanford, California at the age of 95. He was both one of the great theoretical physicists of the twentieth century and a leading figure in the development of nuclear weapons and broader defense advocacy. Teller's work in physics, spanning many decades of the twentieth century, includes some of the most fundamental insights in the quantum behaviors of molecules and their spectra, nuclei, surfaces, solid state and spin systems, and plasmas. In the defense arena, Teller is best known for his key insight that made thermonuclear weapons possible. Teller was both a great scientific collaborator and physics teacher at all levels, known for his openness, generosity, personal warmth, and powerful physical intuition. Many of his graduate students went on to illustrious careers.
Binding energy and photoionization cross-section of hydrogen-like impurity in a Poschl-Teller quantum well

International Nuclear Information System (INIS)

Hakimifard, A.

2010-01-01

The effect of the donor impurity position and the form of confining potential on the binding energy and the photoionization cross-section if a semiconductor quantum well with Poschl-Teller potential is investigated. An analytical expression for the photoionization cross-section is obtained for the case when the polarization vector of light wave is directed along the direction of size quantization. It is shown that the photoionization cross-section has a threshold behavior
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.
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)
12 CFR 205.16 - Disclosures at automated teller machines.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 2 2010-01-01 2010-01-01 false Disclosures at automated teller machines. 205... SYSTEM ELECTRONIC FUND TRANSFERS (REGULATION E) § 205.16 Disclosures at automated teller machines. (a) Definition. Automated teller machine operator means any person that operates an automated teller machine at...
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.
Analogy Between Particle in a Box and Jahn–Teller Effect

Indian Academy of Sciences (India)

IAS Admin

Solving the SchrÄodinger equation, the allowed energy levels of the particle are given .... to slight distortion of the cube. Using (3), the new energy of ... ARTICLE. The Jahn–Teller theorem states that in a nonlinear molecule, if degenerate orbitals are asymmetrically occupied a distortion will occur to remove the degeneracy.
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
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.
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.

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.
1995 Edward teller lecture. Patience and optimism

International Nuclear Information System (INIS)

Miley, G.H.

1996-01-01

Remarks made in the author close-quote s acceptance lecture for the 1995 Edward Teller Medal are presented and expanded. Topics covered include research on nuclear-pumped lasers, the first direct e-beam-pumped laser, direct energy conversion and advanced fuel fusion, plus recent work on inertial electrostatic confinement. open-quote open-quote Patience close-quote close-quote and open-quote open-quote optimism close-quote close-quote are viewed as essential elements needed by scientists following the open-quote open-quote zig-zag close-quote close-quote path to fusion energy production. copyright 1996 American Institute of Physics
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.
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.
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.
Gamow Teller strength from charge exchange reactions at intermediate energies

International Nuclear Information System (INIS)

Haeusser, O.

1989-07-01

Detailed studies of the spin-isospin structure of nuclear excitations are possible at TRIUMF's medium resolution spectrometer using the (n,p), ( p → , p →/ ) and (p,n) reactions. We discuss here results on isospin symmetry of inelastic nucleon scattering reactions populating isospin triads in A=6 and A=12 nuclei. The β + Gamow Teller strength function from (n,p) reactions on (sd) and (fp) shell targets is found to be substantially quenched compared to current nuclear structure models using the free-nucleon axial-vector coupling constant. (Author) 22 refs., 3 figs
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.
78 FR 18221 - Disclosures at Automated Teller Machines (Regulation E)

Science.gov (United States)

2013-03-26

... Disclosures at Automated Teller Machines (Regulation E) AGENCY: Bureau of Consumer Financial Protection... the EFTA to eliminate a requirement that a fee notice be posted on or at automated teller machines... legislation, though the Electronic Fund Transfer Act and Regulation E use the term ``automated teller machine...
The spin symmetry for deformed generalized Poeschl-Teller potential

International Nuclear Information System (INIS)

Wei Gaofeng; Dong Shihai

2009-01-01

In the case of spin symmetry we solve the Dirac equation with scalar and vector deformed generalized Poeschl-Teller (DGPT) potential and obtain exact energy equation and spinor wave functions for s-wave bound states. We find that there are only positive energy states for bound states in the case of spin symmetry based on the strong regularity restriction condition λ<-η for the wave functions. The energy eigenvalue approaches a constant when the potential parameter α goes to zero. Two special cases such as generalized PT potential and standard PT potential are also briefly discussed.
The Close Relationships between the Crystal Structures of MO and MSO 4 (M = Group 10, 11, or 12 Metal), and the Predicted Structures of AuO and PtSO 4

KAUST Repository

Derzsi, Mariana; Hermann, Andreas; Hoffmann, Roald; Grochala, Wojciech

2013-01-01

The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects. The collective Jahn-Teller deformations lead either to tetragonal contraction or (seldom) elongation of the rock salt lattice. On the basis of the rock salt representation of the oxides and sulfates, we show that PdO, CuO, and AgO are metrically related and that the 4d and 5d metal sulfates are close to isostructural with their oxides. These observations guide us towards as yet unknown AuO and PtSO4, for which we predict crystal structures from electronic structure calculations. The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects, as quantified by the c′/a′ ratio. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
The Close Relationships between the Crystal Structures of MO and MSO 4 (M = Group 10, 11, or 12 Metal), and the Predicted Structures of AuO and PtSO 4

KAUST Repository

Derzsi, Mariana

2013-08-21

The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects. The collective Jahn-Teller deformations lead either to tetragonal contraction or (seldom) elongation of the rock salt lattice. On the basis of the rock salt representation of the oxides and sulfates, we show that PdO, CuO, and AgO are metrically related and that the 4d and 5d metal sulfates are close to isostructural with their oxides. These observations guide us towards as yet unknown AuO and PtSO4, for which we predict crystal structures from electronic structure calculations. The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects, as quantified by the c′/a′ ratio. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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.
Renner-Teller effects in the photoelectron spectra of CNC, CCN, and HCCN.

Science.gov (United States)

Coudert, Laurent H; Gans, Bérenger; Garcia, Gustavo A; Loison, Jean-Christophe

2018-02-07

The line intensity of photoelectron spectra when either the neutral or cationic species display a Renner-Teller coupling is derived and applied to the modeling of the photoelectron spectra of CNC, CCN, and HCCN. The rovibronic energy levels of these three radicals and of their cations are investigated starting from ab initio results. A model treating simultaneously the bending mode and the overall rotation is developed to deal with the quasilinearity problem in CNC + , CCN + , and HCCN and accounts for the large amplitude nature of their bending mode. This model is extended to treat the Renner-Teller coupling in CNC, CCN, and HCCN + . Based on the derived photoelectron line intensity, the photoelectron spectra of all three molecules are calculated and compared to the experimental ones.
Role of the momentum transfer in the quenching of the Gamow-Teller strength

Energy Technology Data Exchange (ETDEWEB)

Marketin, Tomislav [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany); Physics Department, Faculty of Science, University of Zagreb (Croatia); Martinez-Pinedo, Gabriel [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany); Paar, Nils; Vretenar, Dario [Physics Department, Faculty of Science, University of Zagreb (Croatia)

2012-07-01

A fully consistent calculation of the Gamow-Teller strength is presented, based on a microscopic theoretical framework. Nuclear ground state is determined using the relativistic Hartree-Bogolyubov (RHB) model with density dependent meson-nucleon coupling constants, and transition rates are calculated via proton-neutron relativistic quasiparticle RPA using the same interaction as in the RHB equations. The (p,n) probe has a similar spin-isospin operator structure to the Gamow-Teller (GT) operator. However, they become comparable only if the GT cross section is measured at a very small momentum transfer q. At higher momentum transfer the isovector spin monopole (IVSM) mode occurs, with the r{sup 2}{sigma}{tau} transition operator. Unlike the Gamow-Teller operator which excites only the 0{Dirac_h}{omega} transitions, the isovector spin monopole operator can also excite 2{Dirac_h}{omega} transitions and can change the strength distribution at high excitation energies. We explore the strength beyond the resonance, examine the effect of momentum transfer on the total strength and compare the results with recent measurements.
High resolution photoelectron spectroscopy of clusters of Group V elements

International Nuclear Information System (INIS)

Wang, Lai-sheng; Niu, B.; Lee, Y.T.; Shirley, D.A.

1989-07-01

High resolution HeI (580 angstrom) photoelectron spectra of As 2 , As 4 , and P 4 were obtained with a newly-built high temperature molecular beam source. Vibrational structure was resolved in the photoelectron spectra of the three cluster species. The Jahn-Teller effect is discussed for the 2 E and 2 T 2 states of P 4 + and As 4 + . As a result of the Jahn-Teller effect, the 2 E state splits into two bands, and the 2 T 2 state splits into three bands, in combination with the spin-orbit effect. It was observed that the ν 2 normal vibrational mode was involved in the vibronic interaction of the 2 E state, while both the ν 2 and ν 3 modes were active in the 2 T 2 state. 26 refs., 5 figs., 3 tabs
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
Occupational Noise Exposure among Toll Tellers at Toll Plaza in Malaysia

Science.gov (United States)

Azmi, Sharifah Nadya Syed; Dawal, Siti Zawiah Md; Ya, Tuan Mohammad Yusoff Shah Tuan; Saidin, Hamidi

2010-10-01

Toll tellers working at toll plaza have potential of exposure to high noise from the vehicles especially for the peak level of sound emitted by the heavy vehicles. However, occupational exposures in this workplace have not been adequately characterized and identified. Occupational noise exposure among toll tellers at toll plaza was assessed using Sound Level Meter, Noise Dosimeter and through questionnaire survey. These data were combined to estimate the work shift exposure level and health impacts to the toll tellers by using statistical analysis. Noise Dosimeter microphone was located at the hearing zone of the toll teller which working inside the toll booth and full-period measurements were collected for each work shift. The measurements were taken at 20 toll booths from 6.00 am to 2.00 pm for 5 days. 71 respondents participated in the survey to identify the symptoms of noise induced hearing loss and other health related problems among toll tellers. Results of this study indicated that occupational noise exposure among toll tellers for Mean Continuous Equivalent Level, Leq was 79.2±1.4 dB(A), Mean Maximum Level, Lmax was 107.8±3.6 dB(A) and Mean Peak Level, Lpeak was 136.6±9.9 dB. The Peak Level reported statistically significantly at 140 dB, the level of TLV recommended by ACGIH. The research findings indicated that the primary risk exposure to toll tellers comes from noise that emitted from heavy vehicles. Most of the toll tellers show symptoms of noise induced hearing loss and annoyed by the sources of noise at the toll plaza.
Gamow-Teller strength function for 90Zr: Effects of spin and isospin exchange forces, and ground-state correlations

International Nuclear Information System (INIS)

Mathews, G.J.; Bloom, S.D.; Hausman, R.F. Jr.

1983-01-01

Shell-model calculations of the Gamow-Teller strength function for 90 Zr have been performed utilizing a realistic finite-range two-body interaction in a model space consisting of the 2p and 1g shells. The effects of admixtures of two-particle two-hole excitations in 90 Nb, mostly due to the spin and isospin exchange components of the nucleon-nucleon force, are discussed. Ground state correlations in 90 Zr are also added via seniority-zero two-proton excitations from the 2p shell into the 1g/sub 9/2/ shell. With the correlations the Gamow-Teller strength function is in good agreement with the experimental results and accounts for essentially all of the observed dispersion of strength. The inclusion of these correlations does not, however, produce either a displacement of Gamow-Teller strength to higher excitation energies, or a significant change in the total strength. Thus, they cannot account for the observed Gamow-Teller quenching. The quenching factor derived by a comparison of our calculated results with experiment is 0.52
After the Prestige: A Postmodern Analysis of Penn and Teller

Directory of Open Access Journals (Sweden)

Miller, Liz

2015-12-01

Full Text Available By mocking the magic community and revealing the secret behind some of their tricks, Penn and Teller perform a kind of parodic and post-modern “anti-magic.” Penn and Teller display an artful use of rhetoric; in exposing the secrets and shortcomings of conjuring, they are revolutionizing the way people think about both the art of magic and the magic community. Individuals such as Penn and Teller may use parody to subvert the hegemonic interpretations. However, we also know that it is difficult to bring down a system while operating within that system. Thus, this article explores the way Penn and Teller are challenging the metanarrative of the magic community, using several of the duo’s more popular illusions as examples for analysis. Ultimately, this paper should help us gain a better understanding of the way parody can be used to challenge hegemonic conceptions, and the limitations of this type of rhetorical approach.
Specific heat of Cr-based semimagnetic semiconductors

NARCIS (Netherlands)

Twardowski, A.; Eggenkamp, P.J.T.; Mac, W.; Swagten, H.J.M.; Demianiuk, M.

1993-01-01

Specific heat of ZnCrSe and ZnCrS was measured for 1.5 Jahn-Teller distortion and spin-orbit interaction.

Gamow-Teller beta decay of proton-rich nuclei

International Nuclear Information System (INIS)

Klepper, O.; Rykaczewski, K.

1990-11-01

The beta decays of 48 Mn and of even-even nuclei near the double shell-closures at 100 Sn and 146 Gd are currently investigated at the GSI on-line mass separator. Their Gamow-Teller strength are surveyed in their present experimental status, together with related results from the ISOLDE (CERN) and ISOCELE (Orsay) separators, and are compared with predictions from different nuclear models. The strength of the 0 + → 1 + Gamow-Teller transitions is compiled in tables and graphs. (orig.)
Solution Of Schrödinger Equation For Poschl-Teller Plus Scarf Non-Central Potential Using Supersymmetry Quantum Mechanics Aproach

Directory of Open Access Journals (Sweden)

Antomi Saregar

2015-04-01

Full Text Available In this paper, we show that the exact energy eigenvalues and eigenfunctions of the Schrödinger equation for charged particles moving in a certain class of noncentral potentials can be easily calculated analytically in a simple and elegant manner by using Supersymmetric method (SUSYQM. We discuss the Poschl-Teller plus Scarf non-central potential systems. Then, by operating the lowering operator we get the ground state wave function, and the excited state wave functions are obtained by operating raising operator repeatedly. The energy eigenvalue is expressed in the closed form obtained using the shape invariant properties. The results are in exact agreement with other methods. Keyword: supersymmetry, non-central potentials, poschl teller plus scarf.
Origin of Small Barriers in Jahn–Teller Systems

DEFF Research Database (Denmark)

Barriuso, M. T.; Ortiz-Sevilla, B.; Aramburu, J. A.

2013-01-01

. It is quantitatively proven that the elongated geometry observed for NaCl:Ni+ is due to the 3d–4s vibronic admixture, which is slightly larger than the anharmonicity in the eg JT mode that favors a compressed geometry. The existence of these two competing mechanisms explains the low value of B for the model system......Despite its relevance, the microscopic origin of the energy barrier, B, between the compressed and elongated geometries of Jahn–Teller (JT) systems is not well understood yet because of a lack of quantitative data about its various contributions. Seeking to clear up this matter, we have carried out...
TmCd quadrupolar ordering and magnetic interactions

International Nuclear Information System (INIS)

Aleonard, R.; Morin, P.

1979-01-01

The paramagnetic compound TmCd crystallizes with the CsCl-type structure. Its Jahn-Teller behavior was first observed by Luethi and coworkers. We analyze here various physical properties with a pure-harmonic-elasticity model. The structural transition between cubic and tetragonal phases is now fully described (first-order character and temperature of occurrence) as well as the magnetic susceptibility, magnetization process, specific-heat, elastic-constant, and strain data. The relevant Hamiltonian takes into account the second-order magnetoelastic coupling and the quadrupolar exchange in addition to the cubic crystal field and the Heisenberg bilinear interactions. TmCd appears to be closely related to isomorphous TmZn and completes the illustration of the competition between bilinear and quadrupolar interactions occurring in some rare-earth intermetallics. In these two compounds, the quadrupolar exchange is many times stronger than the magnetoelastic coupling and the quadrupolar ordering then drives the structural transition. This situation is opposite to that occurring in (actual) Jahn-Teller compounds
Interplay of structural transition and superconductivity in cuprates

International Nuclear Information System (INIS)

Ghosh, Haranath; Mitra, Manidipa; Behera, S.N.; Ghatak, S.K.

1997-01-01

The presence of lattice distortion is known to suppress the superconducting (SC) transition in the cuprates. It is now accepted that electron correlation plays a dominant role in shaping the properties of these undoped and doped systems. Furthermore, since the Fermi level in these systems lies in a degenerate band of Cu : d and O : p orbitals the structural transition can be modeled as a band Jahn-Teller effect. We study the coexistence of superconductivity and band Jahn-Teller (J-T) distortion, taking into account the electron correlation within the slave boson formalism. It is shown that with increasing dopant concentration (δ), the structural transition temperature (T s ) remains constant up to a certain value and then vanishes, while the SC transition temperature (T c ) increases to a maximum value. The highest value of T c corresponds to that value of δ where T s vanishes. Besides with increasing lattice distortion superconductivity is suppressed. These findings are in qualitative agreement with the experimental results. (author)
The analysis of strain of giant magnetoresistive Pr0.7Sr0.3MnO3/La0.5Ca0.5MnO3/Pr0.7Sr0.3MnO-3 trilayers

International Nuclear Information System (INIS)

Wang Haiou; Liu Hao; Dai Ping; Tan Weishi; Wu Xiaoshan; Jia Quanjie; Li Xiaolong

2012-01-01

Pr 0.7 Sr 0.3 MnO 3 /La 0.5 Ca 0.5 MnO 3 /Pr 0.7 Sr 0.3 MnO 3 (PSMO/LCMO/PSMO) trilayers were deposited on (001)-oriented single crystal MgO by pulsed laser deposition. The thickness of both PSMO layers was 36 nm while the thickness of LCMO layer was 6, 12, 18, 24, 30 and 36 nm, respectively. Out-of-plane and in-plane lattice parameters of trilayers were obtained by using symmetric scanning and asymmetric scanning mode of high resolution X-ray diffraction. Strain states of trilayers have been studied. The results showed that strain relaxation states of trilayers were decided by bulk strain and Jahn-Teller (JT) strain together: The mechanism for strain relaxation in trilayers is different from that for tetragonal distortion. The competition between bulk strain and Jahn-Teller (JT) strain played an important role in the magnetotransport and magnetic properties of trilayers. (authors)
Gamow-Teller matrix elements from 00 ( p,n) cross section

International Nuclear Information System (INIS)

Goodman, C.D.; Goulding, C.A.; Greenfield, M.B.; Rapaport, J.; Bainum, D.E.; Foster, C.C.; Love, W.G.; Petrovich, F.

1980-01-01

After simple corrections for distortion effects, 120-MeV, 0 0 (p,n) cross sections are found to be proportional to the squares of the corresponding Fermi and Gamow-Teller matrix elements extracted from β-decay measurements. It is suggested that this proportionality can be used to extract Gamow-Teller matrix elements for transitions inaccessible to β decay
Solution of Dirac equation for modified Poschl Teller plus trigonometric Scarf potential using Romanovsky polynomials method

International Nuclear Information System (INIS)

Prastyaningrum, I.; Cari, C.; Suparmi, A.

2016-01-01

The approximation analytical solution of Dirac equation for Modified Poschl Teller plus Trigonometric Scarf Potential are investigated numerically in terms of finite Romanovsky Polynomial. The combination of two potentials are substituted into Dirac Equation then the variables are separated into radial and angular parts. The Dirac equation is solved by using Romanovsky Polynomial Method. The equation that can reduce from the second order of differential equation into the differential equation of hypergeometry type by substituted variable method. The energy spectrum is numerically solved using Matlab 2011. Where the increase in the radial quantum number nr and variable of modified Poschl Teller Potential causes the energy to decrease. The radial and the angular part of the wave function also visualized with Matlab 2011. The results show, by the disturbance of a combination between this potential can change the wave function of the radial and angular part. (paper)
On the path to fusion energy. Teller lecture 2005

International Nuclear Information System (INIS)

Tabak, M.

2007-01-01

There is a need to develop alternate energy sources in the coming century because fossil fuels will become depleted and their use may lead to global climate change. Inertial fusion can become such an energy source, but significant progress must be made before its promise is realized. The high-density approach to inertial fusion suggested by Nuckolls et al. leads reaction chambers compatible with civilian power production. Methods to achieve the good control of hydrodynamic stability and implosion symmetry required to achieve these high fuel densities will be discussed. Fast Ignition, a technique that achieves fusion ignition by igniting fusion fuel after it is assembled, will be described along with its gain curves. Fusion costs of energy for conventional hotspot ignition will be compared with those of Fast Ignition and their capital costs compared with advanced fission plants. Finally, techniques that may improve possible Fast Ignition gains by an order of magnitude and reduce driver scales by an order of magnitude below conventional ignition requirements are described. (author)
Poschl-Teller potentials based solution to Hilbert's tenth problem Pöschl-Teller potentials based solution to Hilbert's tenth problem

Directory of Open Access Journals (Sweden)

Juan Ospina

2006-12-01

Full Text Available Hypercomputers compute functions or numbers, or more generally solve problems or carry out tasks, that cannot be computed or solved by a Turing machine. An adaptation of Tien D. Kieu¿s quantum hypercomputational algorithm is carried out for the dynamical algebra su(1, 1 of the Poschl-Teller potentials. The classically incomputable problem that is resolved with this hypercomputational algorithm is Hilbert¿s tenth problem. We indicated that an essential mathematical condition of these algorithms is the existence of infinitedimensional unitary irreducible representations of low dimensional dynamical algebras that allow the construction of coherent states of the Barut-Girardello type. In addition, we presented as a particular case of our hypercomputational algorithm on Poschl-Teller potentials, the hypercomputational algorithm on an infinite square well presented previously by the authors.Los hipercomputadores computan funciones o números, o en general solucionan problemas que no pueden ser computados o solucionados por una máquina de Turing. Se presenta una adaptación del algoritmo cuántico hipercomputacional propuesto por Tien D. Kieu, al álgebra dinámica su(1, 1 realizada en los potenciales Pöschl-Teller. El problema clásicamente incomputable que se resuelve con este algoritmo hipercomputacional es el d´ecimo problema de Hilbert. Se señala que una condición matemática fundamental para estos algoritmos es la existencia de una representación unitaria infinito dimensional irreducible de álgebras de baja dimensión que admitan la construcción de estados coherentes del tipo Barut-Girardello. Adicionalmente se presenta como caso límite del algoritmo propuesto sobre los potenciales Pöschl-Teller, el algoritmo hipercomputacional sobre la caja de potencial infinita construido previamente por los autores.
The Hintermann-Merlini-Baxter-Wu and the infinite-coupling-limit Ashkin-Teller models

Energy Technology Data Exchange (ETDEWEB)

Huang Yuan, E-mail: huangy22@mail.ustc.edu.cn [Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Deng Youjin, E-mail: yjdeng@ustc.edu.cn [Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Jacobsen, Jesper Lykke, E-mail: jacobsen@lpt.ens.fr [Laboratoire de Physique Theorique, Ecole Normale Superieure, 24 rue Lhomond, 75231 Paris (France); Universite Pierre et Marie Curie, 4 place Jussieu, 75252 Paris (France); Salas, Jesus, E-mail: jsalas@math.uc3m.es [Grupo de Modelizacion, Simulacion Numerica y Matematica Industrial, Universidad Carlos III de Madrid, Avda. de la Universidad 30, 28911 Leganes (Spain); Grupo de Teorias de Campos y Fisica Estadistica, Instituto Gregorio Millan, Universidad Carlos III de Madrid, Unidad asociada al IEM-CSIC, Madrid (Spain)

2013-03-11

We show how the Hintermann-Merlini-Baxter-Wu model (which is a generalization of the well-known Baxter-Wu model to a general Eulerian triangulation) can be mapped onto a particular infinite-coupling-limit of the Ashkin-Teller model. We work out some mappings among these models, also including the standard and mixed Ashkin-Teller models. Finally, we compute the phase diagram of the infinite-coupling-limit Ashkin-Teller model on the square, triangular, hexagonal, and kagome lattices.
Numerical study of the spin-1 Ashkin-Teller model

International Nuclear Information System (INIS)

Bekhechi, S.; Badehdah, M.; Benyoussef, A.; Ettaki, B.

1998-07-01

Two non perturbative methods by means of the Transfer-Matrix Finite-Size-Scaling (TMFSS) and Monte Carlo (MC) simulations are used to investigate the spin-1 Ashkin-Teller model (A.T.M.). We have obtained rich phase diagrams with first and second order phase transitions with several multicritical points of higher order. Also this model exhibits a new partially ordered phase PO2 which does not exist in the spin-1/2 Ashkin-Teller model (A.T.M.). Finally, the critical behaviour of this model is discussed. (author)
Gamow teller strength from n-nucleus scattering

International Nuclear Information System (INIS)

Haeusser, O.

1989-08-01

Detailed studies of the spin-isospin structure of nuclear excitations are possible at TRIUMF's medium resolution spectrometer using the (n,p), ( p → , p →/ and (p,n) reactions. We discuss here results on isospin symmetry of inelastic nucleon scattering reactions populating isospin triads in A=6 and A=12 nuclei. The empirical ratio of L=0 isovector spin flip cross sections at 200-450 MeV and B(GT) for strong Gamow-Teller transitions in p-shell nuclei is found to be larger than calculated in the DWIA using a free NN t-matrix. Based on empirical values of σ/B(GT) the β + Gamow Teller strength function from (n,p) reactions on (sd) and (fp) shell targets is substantially quenched compared to current nuclear structure models using the free-nucleon axial-vector coupling constant. (Author) 33 refs., 6 figs
Anisotropy barrier reduction in fast-relaxing Mn12 single-molecule magnets

Science.gov (United States)

Hill, Stephen; Murugesu, Muralee; Christou, George

2009-11-01

An angle-swept high-frequency electron paramagnetic resonance (HFEPR) technique is described that facilitates efficient in situ alignment of single-crystal samples containing low-symmetry magnetic species such as single-molecule magnets (SMMs). This cavity-based technique involves recording HFEPR spectra at fixed frequency and field, while sweeping the applied field orientation. The method is applied to the study of a low-symmetry Jahn-Teller variant of the extensively studied spin S=10 Mn12 SMMs (e.g., Mn12 -acetate). The low-symmetry complex also exhibits SMM behavior, but with a significantly reduced effective barrier to magnetization reversal (Ueff≈43K) and, hence, faster relaxation at low temperature in comparison with the higher-symmetry species. Mn12 complexes that crystallize in lower symmetry structures exhibit a tendency for one or more of the Jahn-Teller axes associated with the MnIII atoms to be abnormally oriented, which is believed to be the cause of the faster relaxation. An extensive multi-high-frequency angle-swept and field-swept electron paramagnetic resonance study of [Mn12O12(O2CCH2But)16(H2O)4]ṡCH2Cl2ṡMeNO2 is presented in order to examine the influence of the abnormally oriented Jahn-Teller axis on the effective barrier to magnetization reversal. The reduction in the axial anisotropy, D , is found to be insufficient to account for the nearly 40% reduction in Ueff . However, the reduced symmetry of the Mn12 core gives rise to a very significant second-order transverse (rhombic) zero-field-splitting anisotropy, E≈D/6 . This, in turn, causes a significant mixing of spin projection states well below the top of the classical anisotropy barrier. Thus, magnetic quantum tunneling is the dominant factor contributing to the effective barrier reduction in fast relaxing Mn12 SMMs.
The strength of electron electron correlation in Cs3C60

Science.gov (United States)

Baldassarre, L.; Perucchi, A.; Mitrano, M.; Nicoletti, D.; Marini, C.; Pontiroli, D.; Mazzani, M.; Aramini, M.; Riccó, M.; Giovannetti, G.; Capone, M.; Lupi, S.

2015-10-01

Cs3C60 is an antiferromagnetic insulator that under pressure (P) becomes metallic and superconducting below Tc = 38 K. The superconducting dome present in the T - P phase diagram close to a magnetic state reminds what found in superconducting cuprates and pnictides, strongly suggesting that superconductivity is not of the conventional Bardeen-Cooper-Schrieffer (BCS) type We investigate the insulator to metal transition induced by pressure in Cs3C60 by means of infrared spectroscopy supplemented by Dynamical Mean-Field Theory calculations. The insulating compound is driven towards a metallic-like behaviour, while strong correlations survive in the investigated pressure range. The metallization process is accompanied by an enhancement of the Jahn-Teller effect. This shows that electronic correlations are crucial in determining the insulating behaviour at ambient pressure and the bad metallic nature for increasing pressure. On the other hand, the relevance of the Jahn-Teller coupling in the metallic state confirms that phonon coupling survives in the presence of strong correlations.
Effects of strong electron correlations in Ti8C12 Met-Car

International Nuclear Information System (INIS)

Varganov, Sergey A.; Gordon, Mark S.

2006-01-01

The results of multireference configuration interaction (MRCI) with single and double excitations and single reference coupled cluster (CCSD(T)) calculations on Ti 8 C 12 metallocarbohedryne (Met-Car) are reported. The distortions of the T d structure to D 2d and C 3v structures due to the Jahn-Teller effect are studied. It is shown that the Ti 8 C 12 wave function has significant multireference character. The choice of the active space for multireference self-consistent field (MCSCF) calculations is discussed. The failure of multireference perturbation theory with a small active space is attributed to multiple intruder states. A new, novel type of MCSCF calculation, ORMAS (occupation restricted multiple active spaces) with a large active space are carried out for several electronic states of Ti 8 C 12 . The Jahn-Teller distorted D 2d 1 A 1 (nearly T d ) structure is predicted to be the Ti 8 C 12 ground state. Predictions of the Ti 8 C 12 ionization potential with different ab initio methods are presented
APPLICATION OF QUEUING THEORY TO AUTOMATED TELLER MACHINE (ATM) FACILITIES USING MONTE CARLO SIMULATION

OpenAIRE

UDOANYA RAYMOND MANUEL; ANIEKAN OFFIONG

2014-01-01

This paper presents the importance of applying queuing theory to the Automated Teller Machine (ATM) using Monte Carlo Simulation in order to determine, control and manage the level of queuing congestion found within the Automated Teller Machine (ATM) centre in Nigeria and also it contains the empirical data analysis of the queuing systems obtained at the Automated Teller Machine (ATM) located within the Bank premises for a period of three (3) months. Monte Carlo Simulation is applied to th...
Optimal capacity of Ashkin-Teller neural networks

International Nuclear Information System (INIS)

Kozleowski, P.; Bolle, D.

2001-01-01

The maximal capacity per number of couplings is calculated for Ashkin-Teller type neural networks using a replica-symmetric Gardner approach. The results are compared with numerical simulations. The best value obtained at κ=0 is α c =2.26±0.01
Crystallographic and magnetic properties of Ba/sub 2/(UCu)O/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Padel, L; Poix, P [Paris-11 Univ., 91 - Orsay (France)

1975-07-07

Ba/sub 2/(UCu)O/sub 6/ structure can be described by a tetragonal unit cell whose parameters are a=5.777A and c=8.838A. Tetragonal distorsion is attributed to the Jahn-Teller effect of Cu/sup 2 +/; Copper octahedral sites are irregular. The compound presents antiferromagnetic properties with a Neel's temperature of 13K.
Hexagonal perovskites with cationic vacancies. 14. The rhombohedral 12 L-stacking polytypes Ba/sub 2/La/sub 2/Bsup(II)(W/sub 2/sup(VI)vacantO/sub 12/)

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1980-02-01

Rhombohedral 12 L-stacking polytypes with cationic vacancies of type Ba/sub 2/La/sub 2/Bsup(II)(W/sub 2/sup(VI)vacantO/sub 12/) are reported for Bsup(II) = Mg, Zn (white), Ni (light brown) and Co (brown). For Bsup(II) = Cu, as a consequence of the Jahn Teller effect, a triclinic distorted lattice is observed.

Superconductivity and fast proton transport in nanoconfined water

Science.gov (United States)

Johnson, K. H.

2018-04-01

A real-space molecular-orbital density-wave description of Cooper pairing in conjunction with the dynamic Jahn-Teller mechanism for high-Tc superconductivity predicts that electron-doped water confined to the nanoscale environment of a carbon nanotube or biological macromolecule should superconduct below and exhibit fast proton transport above the transition temperature, Tc ≅ 230 K (-43 °C).
A SURVEY OF AUTOMATED TELLER MACHINE USAGE IN NORTH INDIA

OpenAIRE

Shweta Sankhwar*1 & Dhirendra Pandey2

2017-01-01

A machine that hand out cash or executes several banking services at a swipe of Automated Teller Machine (ATM) card in it. An ATM is a machine is use to withdraw cash using a debit card issued by a bank to the consumer(s). An ATM card is issued by a financial organization that permits user to access an Automated Teller Machine (ATM) such as to deposit amount, cash withdrawals, to check account information, etc. It is now preferred to cash by a large majority of the urban population in many ci...
QRPA estimate for the Δ(1232) cotribution to the Gamow-Teller decay of heavy nuclei

International Nuclear Information System (INIS)

Suhonen, J.

1991-01-01

The contribution of the Δ(1232) isobars to the nuclear beta decay strength function is estimated in the framework of the charge-changing form of the QRPA. This procedure is applied to neutron-deficient tin isotopes. The results imply that the quenching of the low-energy Gamow-Teller decay strength cannot attributed to the presence of delta admixtures in the nuclear wave function. (orig.)
Gamow-Teller Strengths from (3He,t) Charge-Exchange Reaction

International Nuclear Information System (INIS)

Fujita, Yoshitaka

2006-01-01

Gamow-Teller (GT) transition is the most popular nuclear weak process with the nature of spin-isospin excitation. GT transitions in pf-shell nuclei, including those starting from unstable nuclei, are of interest, due to their importance in astrophysical processes. Weak processes, however, gives us rather limited information on the GT response of nuclei. We introduce high-resolution ( 3 He, t) reaction at 0 0 and at an intermediate beam energy as a new spectroscopic tool for studying GT excitations. Owing to the high energy-resolution of the reaction (∼ 30 keV), individual transitions can be observed up to the region of GT giant resonance. Assuming isospin symmetry for the T z = ±1 → 0 isobaric analogous transitions in isobars with mass number A, we present a new method to deduce GT transition strengths starting from proton rich exotic nuclei
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
customer-teller scheduling system for optimizing banks service

African Journals Online (AJOL)

els Bank Teller scheduling system for optimizing a Banks customer service. The model takes into account real time .... tinuous observation by management personnel and thus results in .... relationships in a mathematical model. A mathematical ...
Conformal scalar field on the hyperelliptic curve and critical Ashkin-Teller multipoint correlation functions

International Nuclear Information System (INIS)

Zamolodchikov, A.B.

1987-01-01

A multipoint conformal block of Ramond states of the two-dimensional free scalar field is calculated. This function is related to the free energy of the scalar field on the hyperelliptic Riemann surface under a particular choice of boundary conditions. Being compactified on the circle this field leads to the crossing symmetric correlation functions with a discrete spectrum of scale dimensions. These functions are supposed to describe multipoint spin correlations of the critical Ashkin-Teller model. (orig.)
Judging Edward Teller: A Closer Look at One of the Most Influential Scientists of the Twentieth Century

Energy Technology Data Exchange (ETDEWEB)

Libby, S B

2010-12-29

Much has been written about Edward TEller, but little of it is objective. Given, on the one hand, his position as one of the most inventive theoretical physicists of the 20th century, and on the other, his central role in the development and advocacy of thermonuclear weapons, one might imagine it impossible at this point in history to write a scholarly, impartial account of Teller's life and his impact. Now, however, Istvan Hargittai, a prominent Hungarian physical chemist and historian of science, has written a balanced, thoughtful, and beautifully research biography that comes closest. Hargittai is uniquely qualified for this difficult task. Coming a generation and a half later from a similar Hungarian-Jewish background, Hargittai understands well the influences and terrible events that shaped Teller. The advent of virulent, political anti-Semitism, first in Hungary and then in Germany, made Teller twice a refugee. Both Teller and Hargittai lost close family in the Holocaust; Hargittai was himself liberated from a Nazi concentration camp as a child. While Teller was in the US by then, his and Hargittai's surviving family members in Hungary suffered mistreatment at the hands of the postwar Hungarian Communist dictatorship. Hargittai's informed Eastern European perspective also provides a fresh viewpoint to the cold war context of the second half of Teller's career. Furthermore, Hargittai's own scientific work in molecular structure clearly makes him appreciate of Teller's breakthroughs in that field in the 1930s.
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.
Spin and Pseudospin Symmetries with Trigonometric Pöschl-Teller Potential including Tensor Coupling

Directory of Open Access Journals (Sweden)

M. Hamzavi

2013-01-01

Full Text Available We study approximate analytical solutions of the Dirac equation with the trigonometric Pöschl-Teller (tPT potential and a Coulomb-like tensor potential for arbitrary spin-orbit quantum number κ under the presence of exact spin and pseudospin ( p -spin symmetries. The bound state energy eigenvalues and the corresponding two-component wave functions of the Dirac particle are obtained using the parametric generalization of the Nikiforov-Uvarov (NU method. We show that tensor interaction removes degeneracies between spin and pseudospin doublets. The case of nonrelativistic limit is studied too.
Penentuan Jumlah Teller Optimum Dengan Menggunakan Teknik Simulasi ProModel di PT Bank Sumut Cabang Utama Medan

OpenAIRE

Handoko, Rio

2012-01-01

Sistem antrian yang diterapkan pada PT. Bank Sumut Cabang Utama Medan menerapkan sistem antrian FIFO / FCFS (First Come First Serve. Pada PT. Bank Sumut Cabang Utama Medan terdapat sepuluh teller atau server yang bertugas melayani pelanggan. Setiap pelanggan yang datang wajib mengambil nomor antrian kemudian menunggu untuk dipanggil oleh teller yang kosong dan kemudian melakukan transaksi. Teller yang telah selesai melayani satu pelanggan kemudian menekan tombol agar antrian berikutnya dapat ...
96 THE EFFECT OF AUTOMATED TELLER MACHINES ON BANKS ...

African Journals Online (AJOL)

reduces the number of human deployment by banks thereby reducing cost of operations. ... United States (PLUS and CIRRUS) drooped their long standing opposition to allowing ..... Automated teller machine network pricing – A review of the.
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.
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
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.
An unusually strong resonant phonon scattering by 3-d impurities in II-VI semiconductors

Energy Technology Data Exchange (ETDEWEB)

Lonchakov, A.T.; Sokolov, V.I.; Gruzdev, N.B. [Institute of Metal Physics, Russian Academy of Sciences, Ural Branch, S. Kovalevskaya Str. 18, 620219 Ekaterinburg (Russian Federation)

2004-11-01

Low temperature phonon heat conductivity was measured for ZnSe and ZnS crystals, doped with 3-d impurities. A strong resonance-like phonon scattering by 3-d ions with orbitally degenerate ground state was observed. The Jahn-Teller effect is proposed as the reason of the strong resonance-like behaviour of heat conductivity. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Lorentz-Lorenz quenching for the Gamow-Teller sum rule

International Nuclear Information System (INIS)

Delorme, J.; Ericson, M.; Figureau, A.

1984-03-01

We investigate the modification of the Gamow-Teller sum rule brought in by nucleonic excitations. The general trend of the data is well reproduced. The value of the force which mixes nucleonic and nuclear excitations is discussed
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.
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)
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

Task clarification, performance feedback, and social praise: Procedures for improving the customer service of bank tellers.

Science.gov (United States)

Crowell, C R; Anderson, D C; Abel, D M; Sergio, J P

1988-01-01

Customer service for bank tellers was defined in terms of 11 verbal behavior categories. An audio-recording system was used to track the occurrence of behaviors in these categories for six retail banking tellers. Three behavior management interventions (task clarification, performance feedback, and social praise), applied in sequence, were designed to improve overall teller performance with regard to the behavioral categories targeted. Clarification was accomplished by providing clear delineation of the various target categories, with specific examples of the behaviors in each. Feedback entailed presentation of ongoing verbal and visual information regarding teller performance. Praise consisted of verbal recognition of teller performance by branch managers. Results showed that clarification effects emerged quickly, producing an overall increase in desired behaviors of 12% over baseline. Feedback and praise effects occurred more gradually, resulting in overall increases of 6% and 7%, respectively. A suspension of all procedures led to a decline in overall performance, whereas reinstatement of feedback and praise was again accompanied by performance improvement. These findings extend the generality of behavior management applications and help to distinguish between possible antecedent and consequent effects of performance feedback.
Science and Technology Review, July-August 1998: Celebrating Edward Teller at 90

Science.gov (United States)

Smart, J.

1998-07-01

On the occasion of Edward Teller's 90th birthday, Science and Technology Review (S&TR) has the pleasure of honoring Lawrence Livermore's co-founder and most influential scientist. Teller is known for his inventive work in physics, his concepts leading to thermonuclear explosions, and his strong stands on such issues as science education, the nation's strategic defense, the needs for science in the future, and sharing scientific information. The articles in this issue also show him, as always, tirelessly moving forward with his new and changing interests.
Characteristics of the Gamow-Teller Force in the β- Decay of 40Zr98

International Nuclear Information System (INIS)

Raden Oktova

2002-01-01

The characteristics of the β - decay force for the Gamow-Teller transition in the p-h and the p-p channels in the heavy neutron-rich nucleus 40 Zr 98 have been studied. The ground state single-particle levels in the parent nucleus were calculated self-consistently using the Fayans energy-density functional, and from them the quasi-particle basis was obtained using the BCS model. The residual charge-changing force responsible for the β - transition was taken as having a zero-range (a delta function); in the p-h channel the spin-isospin exchange → σ 1 . → σ 2 → τ 1 . → τ 2 term in the Migdal-Larkin force was used, and that in the p-p channel was a constant. The method employed was the proton-neutron QRPA (pnQRPA). The results show that the proton-neutron pairing p-p force in the Gamow-Teller decay is negligible for the nucleus considered. The value of the p-h force obtained is g ' = 0.735, slightly larger than the standard value of g ' = 0.7 commonly used for stable nuclei. (author)
Benchmarking nuclear models for Gamow–Teller response

International Nuclear Information System (INIS)

Litvinova, E.; Brown, B.A.; Fang, D.-L.; Marketin, T.; Zegers, R.G.T.

2014-01-01

A comparative study of the nuclear Gamow–Teller response (GTR) within conceptually different state-of-the-art approaches is presented. Three nuclear microscopic models are considered: (i) the recently developed charge-exchange relativistic time blocking approximation (RTBA) based on the covariant density functional theory, (ii) the shell model (SM) with an extended “jj77” model space and (iii) the non-relativistic quasiparticle random-phase approximation (QRPA) with a Brueckner G-matrix effective interaction. We study the physics cases where two or all three of these models can be applied. The Gamow–Teller response functions are calculated for 208 Pb, 132 Sn and 78 Ni within both RTBA and QRPA. The strengths obtained for 208 Pb are compared to data that enable a firm model benchmarking. For the nucleus 132 Sn, also SM calculations are performed within the model space truncated at the level of a particle–hole (ph) coupled to vibration configurations. This allows a consistent comparison to the RTBA where ph⊗phonon coupling is responsible for the spreading width and considerable quenching of the GTR. Differences between the models and perspectives of their future developments are discussed.
Benchmarking nuclear models for Gamow–Teller response

Energy Technology Data Exchange (ETDEWEB)

Litvinova, E., E-mail: elena.litvinova@wmich.edu [Department of Physics, Western Michigan University, Kalamazoo, MI 49008-5252 (United States); National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824-1321 (United States); Brown, B.A. [Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824-1321 (United States); National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824-1321 (United States); Fang, D.-L. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824-1321 (United States); Joint Institute for Nuclear Astrophysics, Michigan State University, East Lansing, MI 48824-1321 (United States); Marketin, T. [Physics Department, Faculty of Science, University of Zagreb (Croatia); Zegers, R.G.T. [Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824-1321 (United States); National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824-1321 (United States); Joint Institute for Nuclear Astrophysics, Michigan State University, East Lansing, MI 48824-1321 (United States)

2014-03-07

A comparative study of the nuclear Gamow–Teller response (GTR) within conceptually different state-of-the-art approaches is presented. Three nuclear microscopic models are considered: (i) the recently developed charge-exchange relativistic time blocking approximation (RTBA) based on the covariant density functional theory, (ii) the shell model (SM) with an extended “jj77” model space and (iii) the non-relativistic quasiparticle random-phase approximation (QRPA) with a Brueckner G-matrix effective interaction. We study the physics cases where two or all three of these models can be applied. The Gamow–Teller response functions are calculated for {sup 208}Pb, {sup 132}Sn and {sup 78}Ni within both RTBA and QRPA. The strengths obtained for {sup 208}Pb are compared to data that enable a firm model benchmarking. For the nucleus {sup 132}Sn, also SM calculations are performed within the model space truncated at the level of a particle–hole (ph) coupled to vibration configurations. This allows a consistent comparison to the RTBA where ph⊗phonon coupling is responsible for the spreading width and considerable quenching of the GTR. Differences between the models and perspectives of their future developments are discussed.
Effect of Tensor Correlations on Gamow-Teller States in 90Zr and 208Pb

International Nuclear Information System (INIS)

Bai, C. L.; Zhang, H. Q.; Zhang, X. Z.

2009-01-01

The tensor terms of the Skyrme effective interaction are included in the self-consistent Hartree-Fock plus Random Phase Approximation (HF-RPA) model. The Gamow-Teller (GT) strength functions of 9 0Z r and 2 08P b is calculated with and without the tensor terms. The main peaks are moved downwards by about 2 MeV when including the tensor contribution. About 10% of the non-energy weighted sum rule is shifted to the excitation energy region above 30 MeV by the RPA tensor correlations. The contribution of the tensor terms to the energy weighted sum rule is given analytically, and compared to the outcome of RPA. A microscopic origin of the quenching of GT sum rule due to the tensor force is discussed.(author)
Semi-classical behavior of Poschl-Teller coherent states

Czech Academy of Sciences Publication Activity Database

Bergeron, H.; Gazeau, J.P.; Siegl, Petr; Youssef, A.

2010-01-01

Roč. 92, č. 6 (2010), s. 60003 ISSN 0295-5075 R&D Projects: GA MŠk LC06002 Institutional research plan: CEZ:AV0Z10480505 Institutional support: RVO:61389005 Keywords : coherent states * Pöschl-Teller potential * quantization Subject RIV: BE - Theoretical Physics Impact factor: 2.753, year: 2010
Superposition model analysis of nickel(II) ions in trigonal bipyramidal complexes exhibiting huge zero field splitting (aka ‘giant magnetic anisotropy’)

Energy Technology Data Exchange (ETDEWEB)

Rudowicz, Czesław, E-mail: crudowicz@zut.edu.pl [Faculty of Chemistry, A. Mickiewicz University, 61-614 Poznań (Poland); Institute of Physics, West Pomeranian University of Technology, Szczecin (Poland); Açıkgöz, Muhammed [Department of Chemistry, Rutgers University, Newark, New Jersey 07102 (United States); Gnutek, Paweł [Institute of Physics, West Pomeranian University of Technology, Szczecin (Poland)

2017-07-15

Graphical abstract: Using crystal structure data for [Ni(Me{sub 6}tren)Cl](ClO{sub 4}) and [Ni(Me{sub 6}tren)Br](Br) as well as taking into account the Jahn-Teller distortions of five-fold coordinated Ni-complexes revealed by DFT geometry optimization, the ZFSPs are predicted for several structural models and wide ranges of model parameters. - Highlights: • Semiempirical study of potential SMM [Ni(Me{sub 6}tren)Cl](ClO{sub 4}) and [Ni(Me{sub 6}tren)Br](Br). • Superposition model analysis of zero field splitting (ZFS) parameters carried out. • Jahn-Teller distortions revealed by DFT geometry optimization considered. • SPM predicts D(ZFS) of observed magnitudes with positive or negative signs. • Results corroborate giant ZFS, which shall not be equated with magnetic anisotropy. - Abstract: Potential single-ion magnet Ni{sup 2+} systems: [Ni(Me{sub 6}tren)Cl](ClO{sub 4}) and [Ni(Me{sub 6}tren)Br](Br) reveal unusually high zero field splitting (ZFS). The ZFS parameter (ZFSP) D{sub expt} = −120 to −180 cm{sup −1} was determined indirectly by high-magnetic field, high-frequency electron magnetic resonance (HMF-EMR). Modeling ZFSPs using the density functional theory (DFT) codes predicts D values: −100 to −200 cm{sup −1}. Such ZFSP values may seem controversial in view of the D values usually not exceeding several tens of cm{sup −1} for Ni{sup 2+} ions. To corroborate or otherwise these results and elucidate the origin of the huge ZFS (named inappropriately as ‘giant uniaxial magnetic anisotropy’) and respective wavefunctions, we have undertaken semiempirical modeling based on the crystal field (CF) and spin Hamiltonians (SH) theory. In this paper, a feasibility study is carried out to ascertain if superposition model (SPM) calculations may yield such huge D values for these Ni{sup 2+} systems. Using crystal structure data for [Ni(Me{sub 6}tren)Cl](ClO{sub 4}) and [Ni(Me{sub 6}tren)Br](Br) as well as taking into account the Jahn-Teller
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
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
Influence of electric field, hydrostatic pressure and temperature on the electric state in a Poschl-Teller quantum well

International Nuclear Information System (INIS)

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

2010-01-01

Influence of the electric field and hydrostatic pressure on the electronic states in a Poschl-Teller quantum well is studied. In the framework of variational method the dependences of the ground state energy on the electric field and hydrostatic pressure are calculated for different values of the potential parameters and the temperature. It is shown that the increase in the electric field leads to the increase in the ground state energy, while the increase in the well width leads to the strengthening of the electric field effect. The ground state energy decreases with increasing pressure and increases with increasing temperature
Role of momentum transfer in the quenching of the Gamow-Teller strength

International Nuclear Information System (INIS)

Marketin, T.; Martínez-Pinedo, G.; Paar, N.; Vretenar, D.

2012-01-01

A recent analysis of (p,n) and (n,p) reaction data from 90 Zr was performed recently, where a significant amount of Gamow-Teller strength was found above the resonance, an energy region previously unreachable by experimental setups. The extracted strengths in the β − and the β + channel indicate that approximately 10% of the total strength necessary to satisfy the model independent Ikeda sum rule is missing. One possible source of this discrepancy is the treatment of the isovector spin monopole (IVSM) mode of excitation which has been found to occurr at high excitation energies. Employing the relativistic Hartree-Bogoliubov (RHB) model and the protonneutron relativistic quasiparticle random phase approximation (pn-RQRPA) to calculate the nuclear response, we explore the contribution of the IVSM mode to the total L= 0 strength and apply our results to the available data.
Role of momentum transfer in the quenching of the Gamow-Teller strength

Energy Technology Data Exchange (ETDEWEB)

Marketin, T.; Martinez-Pinedo, G.; Paar, N.; Vretenar, D. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, D-64289 Darmstadt, Germany and Physics Department, Faculty of Science, University of Zagreb, 10000 Zagreb (Croatia); Institut fuer Kernphysik, Technische Universitaet Darmstadt, D-64289 Darmstadt (Germany); Physics Department, Faculty of Science, University of Zagreb, 10000 Zagreb (Croatia)

2012-10-20

A recent analysis of (p,n) and (n,p) reaction data from {sup 90}Zr was performed recently, where a significant amount of Gamow-Teller strength was found above the resonance, an energy region previously unreachable by experimental setups. The extracted strengths in the {beta}{sub -} and the {beta}{sub +} channel indicate that approximately 10% of the total strength necessary to satisfy the model independent Ikeda sum rule is missing. One possible source of this discrepancy is the treatment of the isovector spin monopole (IVSM) mode of excitation which has been found to occurr at high excitation energies. Employing the relativistic Hartree-Bogoliubov (RHB) model and the protonneutron relativistic quasiparticle random phase approximation (pn-RQRPA) to calculate the nuclear response, we explore the contribution of the IVSM mode to the total L= 0 strength and apply our results to the available data.
One of My Favorite Assignments: Automated Teller Machine Simulation.

Science.gov (United States)

Oberman, Paul S.

2001-01-01

Describes an assignment for an introductory computer science class that requires the student to write a software program that simulates an automated teller machine. Highlights include an algorithm for the assignment; sample file contents; language features used; assignment variations; and discussion points. (LRW)
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.
Gamow-Teller decay and nuclear deformation: implementing of a new total absorption spectrometer, study of isotopes N ≅ Z krypton and strontium

International Nuclear Information System (INIS)

Poirier, E.

2002-12-01

Nuclei with A ∼ 70 along the N=Z line are known to be the scene of phenomena closely related to the nuclear deformation and are of particular interest since theoretical mean field calculations predict that a large part of the Gamow-Teller resonance might be located below the ground state of the mother nucleus and then be accessible through β-decay studies. These results have shown the effect of the shape of the ground state on the intensity of the Gamow-Teller strength. Thus, the experimental determination, through δ-decay, of the Gamow-Teller strength distribution and the comparison to the theoretical predictions allow to pin down the quadrupolar deformation parameter of the ground state of the parent nucleus. In order to study the neutron deficient isotopes of krypton (A=72,73,74,75) and strontium (A=76,77,78) and to establish the β-strength on the full energy range, a new total absorption spectrometer (TAgS) has been built in the frame of an international collaboration and installed at the (SOLDE/CERN mass separator. For the data analysis, the response function R of the spectrometer has been calculated by means of Monte-Carlo simulations, based on the GEANT4 code, and of a statistical description of the level scheme in the daughter nucleus. The β-feeding distribution has been obtained from experimental spectra through a method based on Bayes theorem and then converted into Gamow-Teller strength. The results coming from the 74 Kr decay analysis allow to describe the ground state of such a nucleus as the coexistence of an oblate shape and of a prolate shape. In the case of 76 Sr, the experimental Gamow-Teller strength distribution strongly indicates a prolate deformation. (author)
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
Effect on Tensor Correlations on Gamow- Teller States in 90Zr and 208Pb

International Nuclear Information System (INIS)

Bai, C. L.; Sagawa, H.; Zhang, H. Q.

2009-01-01

The tensor terms of the Skyrme effective interaction are included in the self-consistent Hartree-Fock plus Random Phase Approximation (HF-RPA) model. The Gamow-Teller (GT) strength function of 9 0Z r and 2 08P b are calculated with and without the tensor terms. The main peaks are moved downwards by about 2 MeV when including the tensor contribution. About 10% of the non-energy weighted sum rule is shifted to the excitation energy region above 30 MeV by the RPA tensor correlations. The contribution of the tensor terms to the energy weighted sum rule is given analytically, and compared to the outcome of RPA. A microscopic origin of the quenching of GT sum rule is discussed in relation with the coupling to giant spin-quadrupole excitations by the tensor interactions.(author)
Enhancing the Current Automated Teller Machine (ATM) in Nigerian ...

African Journals Online (AJOL)

This is going to be achieved by creating another input device that collects the money into the ATM system, reads its denomination and either saves it or transfers it the required customer ... Keywords: Automated Teller Machine (ATM), Interswitch, Local Area Network (LAN), Wide Area Network (WAN), Telecommunication.
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.

Analysis of D Dimensional Dirac equation for q -deformed Posch-Teller combined with q -deformed trigonometric Manning Rosen Non-Central potential using Asymptotic Iteration Method (AIM)

International Nuclear Information System (INIS)

Alam, Y.; Suparmi; Cari; Anwar, F.

2016-01-01

In this study, we used asymptotic iteration method (AIM) to obtain the relativistic energy spectra and wavefunctions for D Dimensional Dirac equation. Solution of the D Dimensional Dirac equation using asymptotic iteration method was done by four steps. The first step, we substitutied q deformed Poschl-Teller potential plus q-deformed Manning Rosen Non-Central potential into D dimensional Dirac equation. And then, general term of D dimensioanl Dirac equation for q deformed Poschl-Teller potential plus q-deformed Manning Rosen Non-Central potential was reduced into one dimensioanal Dirac equation, consist of radial part and angular part. The second step, both of one dimensional part must be reduced to hypergeometric type differential equation by suitable parameter change. And then, hypergeometric type differential equation was transformed into AIM type differential equation. For the last step, AIM type differential equation can be solved to obtain the relativistic energy and wavefunctions of Dirac equation. Relativistic energy and wavefunctions were visualized by using Matlab software. (paper)
Comment on "Histories and Horoscopes: The Ethnographer as Fortune-Teller."

Science.gov (United States)

Luttrell, Wendy

1998-01-01

Explores the analogy of the researcher as fortune teller and the parallels between research histories and horoscopes and discusses the tension between what the subject is and what he or she is imagined to be by others. (SLD)
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.
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.
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)
Double Gamow-Teller Transitions and its Relation to Neutrinoless β β Decay

Science.gov (United States)

Shimizu, Noritaka; Menéndez, Javier; Yako, Kentaro

2018-04-01

We study the double Gamow-Teller (DGT) strength distribution of 48Ca with state-of-the-art large-scale nuclear shell model calculations. Our analysis shows that the centroid energy of the DGT giant resonance depends mostly on the isovector pairing interaction, while the resonance width is more sensitive to isoscalar pairing. Pairing correlations are also key in neutrinoless β β (0 ν β β ) decay. We find a simple relation between the centroid energy of the 48Ca DGT giant resonance and the 0 ν β β decay nuclear matrix element. More generally, we observe a very good linear correlation between the DGT transition to the ground state of the final nucleus and the 0 ν β β decay matrix element. The correlation, which originates on the dominant short-range character of both transitions, extends to heavier systems including several β β emitters and also holds in energy-density functional results. Our findings suggest that DGT experiments can be a very valuable tool to obtain information on the value of 0 ν β β decay nuclear matrix elements.
Electrochemical Performance of LixMn2-yFeyO4-zClz Synthesized Through In-Situ Glycine Nitrate Combustion

Science.gov (United States)

2016-06-13

Electrochemical Performance of LixMn2-yFeyO4-zClz Synthesized Through In-Situ Glycine Nitrate Combustion Ashley L. Ruth, Paula C. Latorre, and...sites as well as the formation of Mn3+ ions via the Jahn- Teller effect. The use of the glycine nitrate combustion synthesis produces small particles at...advantage of submicron ceramic synthesis, namely the glycine nitrate combustion process (GNP), we propose the capability for in-situ B-site doping
Quantum fluctuations of D5d polarons on C60 molecules

International Nuclear Information System (INIS)

Wang Chui-Lin; Wang Wenzheng; Liu Yuliang; Su Zhaobin; Yu Lu.

1994-06-01

The dynamic Jahn-Teller splitting of the six equivalent D 5d polarons due to quantum fluctuations is studied in the framework of the Bogoliubov-de Gennes formalism. The tunneling induced level splittings are determined to be 2 T 1u + 2 T 2u and 1 A g + 1 H g for C 1- 60 and C -2 60 , respectively, which should give rise to observable effects in experiments. (author). 17 refs, 2 tabs
Gamow-Teller resonances and a separable approximation for Skyrme tensor interactions

Directory of Open Access Journals (Sweden)

Severyukhin A. P.

2012-12-01

Full Text Available A finite rank separable approximation for the quasiparticle random phase approximation (QRPA with Skyrme interactions is applied to study properties of the Gamow-Teller (GT resonances in the neutron-rich Cd isotopes. This approximation enables one to reduce considerably the dimension of matrix that must be diagonalized to perform QRPA calculations in a very large configuration space. Our results from the SGII Skyrme interaction with the tensor interactions and the density-dependent zero-range pairing interaction show that the GT distribution is noticeably modified when the tensor correlations are taken into account. In particular, for 130Cd the dominant peak is moved 3.6 MeV downward and 10% of the GT distribution is shifted to the high excitation energy region near E=50MeV.
Gamow-Teller decay and nuclear deformation: implementing of a new total absorption spectrometer, study of isotopes N {approx_equal} Z krypton and strontium; Decroissance Gamow-Teller et deformation nucleaire: mise en oeuvre d'un nouveau spectrometre a absorption totale, etude d'isotopes N {approx_equal} Z de krypton et strontium

Energy Technology Data Exchange (ETDEWEB)

Poirier, E

2002-12-01

Nuclei with A {approx} 70 along the N=Z line are known to be the scene of phenomena closely related to the nuclear deformation and are of particular interest since theoretical mean field calculations predict that a large part of the Gamow-Teller resonance might be located below the ground state of the mother nucleus and then be accessible through {beta}-decay studies. These results have shown the effect of the shape of the ground state on the intensity of the Gamow-Teller strength. Thus, the experimental determination, through {delta}-decay, of the Gamow-Teller strength distribution and the comparison to the theoretical predictions allow to pin down the quadrupolar deformation parameter of the ground state of the parent nucleus. In order to study the neutron deficient isotopes of krypton (A=72,73,74,75) and strontium (A=76,77,78) and to establish the {beta}-strength on the full energy range, a new total absorption spectrometer (TAgS) has been built in the frame of an international collaboration and installed at the (SOLDE/CERN mass separator. For the data analysis, the response function R of the spectrometer has been calculated by means of Monte-Carlo simulations, based on the GEANT4 code, and of a statistical description of the level scheme in the daughter nucleus. The {beta}-feeding distribution has been obtained from experimental spectra through a method based on Bayes theorem and then converted into Gamow-Teller strength. The results coming from the {sup 74}Kr decay analysis allow to describe the ground state of such a nucleus as the coexistence of an oblate shape and of a prolate shape. In the case of {sup 76}Sr, the experimental Gamow-Teller strength distribution strongly indicates a prolate deformation. (author)
Observation of Fermi and Gamow-Teller strength in the 800 MeV(p,n) reaction

Energy Technology Data Exchange (ETDEWEB)

King, N S.P.; Lisowski, P W; Morgan, G L; Craig, P N; Jeppesen, R G; Lind, D A; Shepard, J R; Ullmann, J L; Zafiratos, C D; Goodman, C D

1986-08-07

Angular distributions have been measured for the (p,n) reaction on targets of /sup 6/Li, /sup 12/C, /sup 13/C, and /sup 15/N at 800 MeV with an energy resolution of 2.7 MeV allowing observation of discrete nuclear levels. As is the case at lower energies, this reaction is very selective, emphasizing Gamow-Teller (GT) and Fermi transitions. Absolute cross sections of pure GT transitions are reproduced by impulse approximation calculations. The ratio vertical strokeJsub(sigmatau)vertical stroke/sup 2//vertical strokeJsub(tau)vertical stroke/sup 2/ was extracted from /sup 13/C and /sup 15/N measurements at 800 MeV and from a /sup 13/C measurement at 318 MeV.
Four-dimensional Ashkin-Teller gauge theory

International Nuclear Information System (INIS)

Alcaraz, F.C.; Jacobs, L.

1983-01-01

The authors construct and analyze a lattice field theory of two Z 2 gauge fields which interact in a minimal gauge-invariant fashion. Although the theory presented here, a generalization of the two-dimensional Ashkin-Teller spin system, has no formal continuum limit, it is found that it has an electrodynamicslike phase similar to that observed in general Z/sub N/ theories for N> or =4. This model is probably the simplest generalization of the conventional Z 2 pure gauge theory which has a massless phase separated from the strong- and weak-coupling regions by lines of second-order phase transitions
The effect of automated teller machines on banks' services in Nigeria

African Journals Online (AJOL)

AFRICAN JOURNALS ONLINE (AJOL) · Journals · Advanced Search ... work is to find out the effects of Automated Teller Machines (ATM) on Bank's services. ... used by successful organizations for gaining competitive advantage over others.
Energy from heaven and earth

International Nuclear Information System (INIS)

Anon.

1981-01-01

Today, almost everybody is affected by problems relating to energy, above all the high cost of energy. Professor Dr. Edward Teller, one of the outstanding nuclear physicists of our time, has devoted many years of research work to investigate the various aspects of the energy shortage, and to find out appropriate ways and means of solving this problem. Following a series of lectures held in the USA and in Israel, he has now published a book entitled Energy from heaven and earth, which is also available in German under the title Energie fuer ein neues Jahrtausend. In the interview given here, Professor Teller explains some of the statements made in his book. (orig.) [de
Gamow-Teller strength distribution in the beta-decay of 100Ag from total-absorption gamma spectrometry

International Nuclear Information System (INIS)

Batist, L.; Bykov, A.; Moroz, F.; Wittmann, V.; Alkhazov, G.D.; Keller, H.; Kirchner, R.; Klepper, O.; Roeckl, E.; Huyse, M.; Duppen, P. van; Reusen, G.; Plochocki, A.; Pfuetzner, M.; Rykaczewski, K.; Szerypo, J.; Zylicz, J.; Brown, B.A.

1994-10-01

The EC/β + -decay of the odd-odd nucleus 100 Ag was studied by means of total absorption γ-ray spectrometry. Most of the Gamow-Teller strength was found to be concentrated at an excitation energy of 5.6 MeV in 100 Pd, the FWHM of this resonance being 1.5 MeV. The measured strength distribution which is interpreted within the BCS approximation as being due to the dominant population of four-quasiparticle excitations, resembles the distribution predicted by an advanced shell-model calculation for the 98 Ag→ 98 Cd decay. (orig.)
Star wars and strategic defense initiatives: work activity and health symptoms of unionized bank tellers during work reorganization.

Science.gov (United States)

Seifert, A M; Messing, K; Dumais, L

1997-01-01

Work activity and health symptoms of bank tellers whose work was undergoing reorganization were examined during a university-union study of the health effects of work in women's traditional jobs. Data were gathered through collective and individual interviews, analysis of work activity, and a questionnaire administered to 305 tellers. Employees worked in a standing posture over 80 percent of the time. More than two-thirds frequently suffered pain in back, legs, and feet. The average teller had been involved in 3.7 robberies as a direct victim and six as a witness. Work required feats of memory and concentration. In order to meet job demands, tellers engaged in supportive activities and teamwork. The introduction of individualized objectives threatened the employees' ability to collaborate and induced distress. More than twice as many tellers as other female workers in Québec experience psychological distress (Ilfeld scale), related to: robbery during the past two years (odds ratio = 1.7; confidence interval = 1.0-2.9); difficult relations with superiors (O.R. = 2.6; C.I. = 1.3-5.3); and full-time work (O.R. = 2.3; C.I. = 1.3-3.9). Diverse methods enriched the analysis, and union participation allowed the proposal of concrete correction measures.
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.
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.
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
First principle calculations of charge ordering in manganites

International Nuclear Information System (INIS)

Baldomir, D.; Pardo, V.; Castro, J.; Iglesias, M.; Arias, J.E.; Rivas, J.

2007-01-01

Electronic structure calculations were performed on the compound La 0.5 Ca 0.5 MnO 3 to study the relationship between the magnetic ordering, the charge ordering and the geometry of the compound. Charge ordering is intimately related to the magnetic ordering. An antiferromagnetic ordering induces charge disproportionation via a Jahn-Teller distortion. A full disproportionation in Mn 3+ /Mn 4+ occurs for the experimental geometry and allows to predict the experimentally found antiferromagnetic insulating state

Spontaneous symmetry breaking by double lithium adsorption in polyacenes

International Nuclear Information System (INIS)

Ortiz, Yenni. P.; Seligman, Thomas H.

2010-01-01

We show that adsorption of one lithium atom to polyacenes, i.e. chains of linearly fused benzene rings, will cause such chains to be slightly deformed. If we adsorb a second identical atom on the opposite side of the same ring, this deformation is dramatically enhanced despite the fact that a symmetric configuration seems possible. We argue, that this may be due to an instability of the Jahn-Teller type possibly indeed to a Peierls instability.
Ratio of Gamow-Teller to Fermi strength observed in /sup 13,14/C(p,n) at 492 and 590 MeV

International Nuclear Information System (INIS)

Ullmann, J.L.; Rapaport, J.; Lisowski, P.W.

1988-01-01

It has been recognized for a number of years that certain spin-isospin components of the nucleon-nucleus effective interaction can be inferred from (p,n) reactions to states of known nuclear structure. For L = 0, S = 0 and L = 0, S = 1 transitions, the 0-degree (p,n) cross section can be related respectively to Fermi and Gamow-Teller beta decay matrix elements. If these transitions occur in the same nucleus, the ratio of isovector spin-flip to non-spin-flip effective interactions can be measured without regard for absolute normalization. The best reaction to measure this is /sup 14/C(p,n) which goes by a pure Gamow-Teller transition to the 1/sup /plus// state at 3.95 MeV in /sup 14/N, and Fermi transition to the 2.31 MeV 0/sup /plus// state. This work extends the ratio measurements made at lower energies (ref. 1, 2, 3) to 492 and 590 MeV. We also report on the /sup 13/C(p,n) reaction which goes by a pure GT transition to the 3.51 MeV 3/2/sup /minus// state in /sup 13/N, but by a mixed Fermi plus Gamow-Teller transition to the 1/2/sup /minus// ground state. 11 refs., 4 figs., 2 tabs
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
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...
Classical motion and coherent states for Poeschl-Teller potentials

International Nuclear Information System (INIS)

Cruz y Cruz, S.; Kuru, S.; Negro, J.

2008-01-01

The trigonometric and hyperbolic Poeschl-Teller potentials are dealt with from the point of view of classical and quantum mechanics. We show that there is a natural correspondence between the algebraic structure of these two approaches for both kind of potentials. Then, the coherent states are constructed and the appropriate classical variables are compared with the expected values of their corresponding quantum operators
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%
Chiral filter, axial charges and Gamow-Teller strengths

International Nuclear Information System (INIS)

Rho, M.

1983-09-01

The different ways that nuclear matter responds to the weak axial-vector current are interpreted in terms of modification of the ''vacuum'' in baryon-rich environments. The notion of ''chiral filter'' is introduced. Use of a ward identity is suggested. The Gamow-Teller quenching and the enhanced axial charge in O + O - transitions follow from this. I also discuss briefly possible relevance of the nucleon as a topological soliton configuration to the global property of nuclear axial response functions
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
A study of Gamow-Teller strength in A=37 nuclei

International Nuclear Information System (INIS)

Aufderheide, M.B.; Bloom, S.D.; Resler, D.A.; Goodman, C.D.

1992-01-01

An analysis is made of the recent β+ decay measurements of Garcia et al., in order to see whether the 1981 37 Cl(p,n) 37 Ar measurements of Rapaport et al. are consistent with them. Garcia et al., were not able to determine the amount of Gamow-Teller strength in the isobaric analog state (IAS) or the Coulomb mixing of Fermi strength to a state near the IAS, and were forced to determine the amount of Gamow-Teller strength in the daughter 1371 keV state by making the branching ratios sum to unity. These uncertainties leave a range of possible values open which we investigate. We find that the experiments are consistent within part of this range. We also examine the effect of this range of allowed values on solar and supernova neutrino cross sections of 37 Cl and find weak dependence on the uncertainties described here. We discuss how this range can be narrowed so that the consistency of the two experiments can be conclusively tested
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
A variational study of the self-trapped magnetic polaron formation in double-exchange model

International Nuclear Information System (INIS)

Liu Tao; Feng Mang; Wang Kelin

2005-01-01

We study the formation of self-trapped magnetic polaron (STMP) in an antiferro/ferromagnetic double-exchange model semi-analytically by variational solutions. It is shown that the Jahn-Teller effect is not essential to the STMP formation and the STMP forms in the antiferromagnetic material within the region of the order of the lattice constant. We also confirm that no ground state STMP exists in the ferromagnetic background, but the ground state bound MP could appear due to the impurity potential
Even-Odd Differences and Shape Deformation of Metal Clusters

OpenAIRE

Hidetoshi, Nishioka; Yoshio, Takahashi; Department of Physics, Konan University; Faculty of General Education, Yamagata University

1994-01-01

The relation between even-odd difference of metal cluster and the deformation of equilibrium shape is studied in terms of two different models; (i) tri-axially deformed harmonic oscillator model, (ii) rectangular box model. Having assumed the matter density ρ kept constant for different shapes of a cluster, we can determine the equilibrium shape both for the two models. The enhancement of HOMO-LUMO gap is obtained and it is ascribed to Jahn-Teller effect. Good agreement of the calculated resu...
Gamow-Teller strength in the β-decay of 36Ca

International Nuclear Information System (INIS)

Trinder, W.; Adelberger, E.G.; Janas, Z.; Keller, H.; Krumbholz, K.; Pfuetzner, M.; Rykaczewski, K.

1994-11-01

The β-decay of 36 Ca has been studied at the projectile fragment separator at GSI Darmstadt. The Gamow-Teller strength function B(GT), deduced from the observed β-delayed proton- and γ-emission and from the measured half-life of 102(2) ms, is compared to results obtained from large-scale sd-shell model calculations. (orig.)
Crystalline structure of the manganites solid solution RE(Me,MnO₃, (RE=Gd,Er; Me=Ni,Co

Directory of Open Access Journals (Sweden)

Peña, O.

2009-08-01

Full Text Available The structural properties of the manganites solid solution RE(Me,MnO₃, RE=Er,Gd, have been studied by X-ray diffraction and electric measurements. Powders were prepared by solid state reaction between the component oxides. Incorporation of Ni²⁺ or Co²⁺ on the lattice in the Mn sites leads to changes in the parameters and symmetry of the perovskite or hexagonal compounds GdMnO₃ and ErMnO₃ respectively. The phase transitions depend on the amount of substituted Jahn-Teller Mn³⁺ cations, and, therefore, of the cooperative Jahn-Teller interaction weakness. Solid solutions based on GdMnO₃ perovskite compound change from O’-type to O-type orthorhombic perovskite symmetry when the Mn³⁺ cation amount decreases, because of the progressive substitution for Ni, Co. This transition occurs for lower amount of Ni²⁺ than for Co²⁺ cation. The Er-based solid solutions showed a different behaviour. For Ni²⁺ and Co²⁺ incorporation there are changes from hexagonal ErMnO₃-type lattice to perovskite-type symmetry, for 20 at% and 30 at% respectively of substituting cations. The resultant perovskites crystallised directly in the O-type orthorhombic perovskite structure. The steric influence seems to play a secondary role, such as it can be deduced of the small variation of the Goldschmidt tolerance factor, t, for perovskite structure.

Las propiedades estructurales de las soluciones sólidas RE(Me,MnO₃, RE=Gd,Er, Me=Ni,Co, han sido estudiadas por difracción de rayos X, (DRX y medidas eléctricas. Las fases se sintetizaron por reacción en estado sólido entre los óxidos componentes. La incorporación de los cationes Ni²⁺ y Co^2+,3+ en la red en lugar de Mn lleva a cambios en los parámetros de red y en la simetría de la perovskita, GdMnO₃ o del compuesto hexagonal Er
High-resolution study of the Gamow-Teller strength distribution in the light nuclei 9B and 13N using the (3He,t) charge-exchange reaction at 420 MeV beam energy

International Nuclear Information System (INIS)

Scholl, Clemens

2010-01-01

Excited states in the light nuclei 9 B and 13 C were studied using the ( 3 He,t) charge-exchange reaction on 9 Be and 13 C targets. The measurements were performed at the research center for nuclear physics (RCNP) in Osaka, Japan, using the magnetic spectrometer Grand Raiden and the dispersive WS course. The 3 He beam with an energy of 420 MeV was accelerated by the RCNP Ring Cyclotron. The Grand Raiden spectrometer and the WS course allow to study the ( 3 He,t) charge-exchange reaction with an energy resolution of around 30 keV, which is one order of magnitude better than measurements with the (p,n) charge-exchange reaction. The high resolution allows to better separate individual states and to determine weak excitation strengths because of low background in the spectra. A total of 19 states in 13 N were studied, and a total of 20 states were observed in 9 B. Of these, 9 states in 13 C and 10 states in 9 B were identified as being excited by a Gamow-Teller transition. Charge-exchange reactions are related to beta-decay, and at zero momentum transfer a simple proportionality exists between the cross-section of the charge-exchange experiment and the Fermi (F) or Gamow-Teller (GT) beta-decay strength. While the Fermi strength B(F) is concentrated in the transition to the isobaric analog state, the Gamow-Teller strength B(GT) is scattered among the excited states. The main aim of the present study is to determine the B(GT) strengths in the nuclei 9 B and 13 N. The only charge-exchange study of 9 B was made 30 years ago with the (p,n) reaction and a resolution of around 300-400 keV. Many states, especially at high excitation energy, could not be resolved by that study. The present work was able to separate many weakly excited states with small decay width at high excitation energies (12-19 MeV) in 9 B and determine the B(GT) strength distribution by using recent high-precision beta-decay data. The results point to a strong difference in spatial structure between the
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...
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)
Dirac equation with spin symmetry for the modified Pöschl–Teller ...

Indian Academy of Sciences (India)

effective nuclear shell-model scheme [7–9]. Also, various potentials such as the Morse potential [10–12], Wood–Saxon potential [13], Coulomb and Hartmann potentials [14],. Eckart potential [15,16], Pöschl–Teller potential [17,18] and the harmonic potential [19,20] have been studied within the framework of the spin and ...
Algebraic treatment of second Poeschl-Teller, Morse-Rosen and Eckart equations

International Nuclear Information System (INIS)

Barut, A.O.; Inomata, A.; Wilson, R.

1987-01-01

The method of algebraic treatment is applied to the non-compact case to solve a family of second Poeschl-Teller, Morse-Rosen and Eckart equations with quantized coupling constants. Both discrete and continuous spectra, bound state and scattering wave functions (transmission coefficients) are found from the matrix elements of group representations. (author). 24 refs, 1 tab
Electron spin transition causing structure transformations of earth's interiors under high pressure

Science.gov (United States)

Yamanaka, T.; Kyono, A.; Kharlamova, S.; Alp, E.; Bi, W.; Mao, H.

2012-12-01

To elucidate the correlation between structure transitions and spin state is one of the crucial problems for understanding the geophysical properties of earth interiors under high pressure. High-pressure studies of iron bearing spinels attract extensive attention in order to understand strong electronic correlation such as the charge transfer, electron hopping, electron high-low spin transition, Jahn-Teller distortion and charge disproponation in the lower mantle or subduction zone [1]. Experiment Structure transitions of Fe3-xSixO4, Fe3-xTixO4 Fe3-xCrxO4 spinel solid solution have been investigated at high pressure up to 60 GPa by single crystal and powder diffraction studies using synchrotron radiation with diamond anvil cell. X-ray emission experiment (XES) at high pressure proved the spin transition of Fe-Kβ from high spin (HS) to intermediate spin state (IS) or low spin state (LS). Mössbauer experiment and Raman spectra study have been also conducted for deformation analysis of Fe site and confirmation of the configuration change of Fe atoms. Jahn-Teller effect A cubic-to-tetragonal transition under pressure was induced by Jahn-Teller effect of IVFe2+ (3d6) in the tetrahedral site of Fe2TiO4 and FeCr2O4, providing the transformation from 43m (Td) to 42m (D2d). Tetragonal phase is formed by the degeneracy of e orbital of Fe2+ ion. Their c/a ratios are c/adisordered in the M2 site. At pressures above 53 GPa, Fe2TiO4 structure further transforms to Pmma. This structure change results in the order-disorder transition [2]. New structure of Fe2SiO4 The spin transition exerts an influence to Fe2SiO4 spinel structure and triggers two distinct curves of the lattice constant in the spinel phase. The reversible structure transition from cubic to pseudo-rhombohedral phase was observed at about 45 GPa. This transition is induced by the 20% shrinkage of ionic radius of VIFe2+at the low sin state. Laser heating experiment at 1500 K has confirmed the decomposition from the

Measurement of Gamow-Teller and spin dipole strength in the 45Sc(n,p)45Ca reaction at 198 MeV

International Nuclear Information System (INIS)

Alford, W.P.; Celler, A.; Brown, B.A.; Long, S.; Raywood, K.

1990-11-01

The reaction 45 Sc(n,p) 45 Ca has been studied at an energy of 198 MeV with energy resolution of about 1 MeV. Measurements were carried out at nominal angles 0, 3, 6, 9, 12, 15, and 18 degrees and spectra obtained up to ∼40 MeV excitation energy in 45 Ca. Significant Gamow-Teller strength is observed at an excitation energy of about 7 MeV, somewhat higher than predicted by shell model calculations. The strength observed is in agreement with calculations using g A /g V ≅ 1. The spin dipole giant resonance is seen with centroid at about 15 MeV excitation and total cross section of 25 mb/sr at an angle of 6 degrees. (Author) (22 refs., 9 figs.)
A2TiF5.nH2O (A=K, Rb, or Cs; n=0 or 1): Synthesis, structure, characterization, and calculations of three new uni-dimensional titanium fluorides

International Nuclear Information System (INIS)

Jo, Vinna; Woo Lee, Dong; Koo, Hyun-Joo; Ok, Kang Min

2011-01-01

Three new uni-dimensional alkali metal titanium fluoride materials, A 2 TiF 5 .nH 2 O (A=K, Rb, or Cs; n=0 or 1) have been synthesized by hydrothermal reactions. The structures of A 2 TiF 5 .nH 2 O have been determined by single-crystal X-ray diffraction. The Ti 4+ cations have been reduced to Ti 3+ during the synthesis reactions. All three A 2 TiF 5 .nH 2 O materials contain novel 1-D chain structures that are composed of the slightly distorted Ti 3+ F 6 corner-sharing octahedra attributable to the Jahn-Teller distortion. The coordination environment of the alkali metal cations plays an important role to determine the degree of turning in the chain structures. Complete structural analyses, Infrared and UV-vis diffuse reflectance spectra, and thermal analyses are presented, as are electronic structure calculations. -- Graphical abstract: Ball-and-stick and polyhedral representations for (a) β-K 2 TiF 5 and (b) Rb 2 TiF 5 .H 2 O or Cs 2 TiF 5 .H 2 O with the K + and Rb + (or Cs + ) coordination environment emphasized. Display Omitted Research highlights: → Synthesis, structure, characterization, and calculation of new titanium fluorides. → Study of reduction of starting Ti 4+ cations to Ti 3+ by DMF. → Novel 1-D chain structures with Jahn-Teller distorted TiF 6 octahedra.
New SUSYQM coherent states for Poschl-Teller potentials: a detailed mathematical analysis

Czech Academy of Sciences Publication Activity Database

Bergeron, H.; Siegl, Petr; Youssef, A.

2012-01-01

Roč. 45, č. 24 (2012), 244028/1-244028/14 ISSN 1751-8113 R&D Projects: GA MŠk LC06002; GA ČR GAP203/11/0701 Institutional support: RVO:61389005 Keywords : supersymmetry * Poschi-Teller potential Subject RIV: BE - Theoretical Physics Impact factor: 1.766, year: 2012
Study of Gamow-Teller giant resonance in /sup 90/Nb by the /sup 90/Zr(/sup 3/He,t)/sup 90/Nb reaction at 90 MeV

Energy Technology Data Exchange (ETDEWEB)

Fujiwara, M.; Fujita, Y.; Katayama, I.; Morinobu, S.; Yamazaki, T.; Itahashi, T.; Ikegami, H. [Osaka Univ., Suita (Japan). Research Center for Nuclear Physics; Hayakawa, S. I.; Ikegami, Hidetsugu; Muraoka, Mitsuo [eds.; Osaka Univ., Suita (Japan). Research Center for Nuclear Physics

1980-01-01

A Gamow-Teller giant resonance in /sup 90/Nb was excited by the /sup 90/Zr(/sup 3/He, t) reaction at 89.5 MeV. The strength of the resonance was localized in the energy region of Ex = 4.5 - 7.5 MeV. The transition was found to be dominated by the L = 2 transfer.
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.)
Gamow-Teller strength in the continuum studied via the (p,n) reaction

International Nuclear Information System (INIS)

Wakasa, T.; Hatanaka, K.; Sakai, H.

2002-01-01

The double differential cross sections for θ lab between 0.0deg and 14.7deg and the polarization transfer coefficient D NN (0deg) for the 27 Al (p vector, n vector) reaction have been measured at a bombarding energy of 295 MeV. A multipole decomposition technique is applied for the cross section data to extract L=0, 1, 2, and 3 contributions. The Gamow-Teller (GT) strength B(GT) deduced from the L=0 contribution is compared with the B(GT) values calculated in a full sd shell-model space. The sum of B(GT) values up to 20 MeV excitation is S β- =4.0 ± 0.1 ± 0.1. A fairly large L=0 contribution is observed in the continuum region up to 50 MeV, which could be in part ascribed to the quenched GT strength. A limit on the effect that the Δ(1232)-isobar nucleon-hole admixture has upon the GT strength is estimated. (author)
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.
Studies of the fluorescent excited state of impurities in ionic crystals

International Nuclear Information System (INIS)

Romestain, Robert

1972-01-01

The author of this research thesis first presents experimental methods used in this research: principles (recall on the optical spectrum of an impurity in a solid, use of fluorescence polarization) and techniques (sample preparation, liquid helium cryostat, application of a disturbance, optical detection). Then, he reports the study of the Mn ++ ion in a tetrahedron crystalline field, the study of the Jahn Teller effect on the excited state of the F + centre in CaO, and the study by double resonance of a specific excited state of this same centre in CaO
Novel effect of spin dynamics with suppression of charge and orbital ordering in Nd0.5Ca0.5MnO3 under the influence of ac electric field

Science.gov (United States)

Sarwar, T.; Qamar, A.; Nadeem, M.

2017-07-01

Dynamics of spin ordering in the manganite Nd0.5Ca0.5MnO3 have been investigated in this paper. It was observed that the complex mixed magnetic ordering in pellets is comprised of antiferromagnetic ordering at 160 K (TN) and complete charge ordering at 250 K (TCO). Under ac field, appearance of unstable ferromagnetic correlations is observed above TCO, which is badly frustrated due to strong spin disorder induced by Jahn Teller distortions. Impedance measurements reveal the spin glass like scenario, suppressing the strong antiferromagnetic and charge ordering states below TN.
Symmetrical analysis of the defect level splitting in two-dimensional photonic crystals

International Nuclear Information System (INIS)

Malkova, N; Kim, S; Gopalan, V

2003-01-01

In this paper doubly degenerate defect states in the band gap of the two-dimensional photonic crystal are studied. These states can be split by a convenient distortion of the lattice. Through analogy with the Jahn-Teller effect in solids, we present a group theoretical analysis of the lifting of the degeneracy of doubly degenerate states in a square lattice by different vibronic modes. The effect is supported by the supercell plane-wave model and by the finite difference time domain technique. We suggest ways for using the effect in photonic switching devices and waveguides
A tight binding model study of tunneling conductance spectra of spin and orbitally ordered CMR manganites

Science.gov (United States)

Panda, Saswati; Sahoo, D. D.; Rout, G. C.

2018-04-01

We report here a tight binding model for colossal magnetoresistive (CMR) manganites to study the pseudo gap (PG) behavior near Fermi level. In the Kubo-Ohata type DE model, we consider first and second nearest neighbor interactions for transverse spin fluctuations in core band and hopping integrals in conduction band, in the presence of static band Jahn-Teller distortion. The model Hamiltonian is solved using Zubarev's Green's function technique. The electron density of states (DOS) is found out from the Green's functions. We observe clear PG near Fermi level in the electron DOS.
Formal verification of automated teller machine systems using SPIN

Science.gov (United States)

Iqbal, Ikhwan Mohammad; Adzkiya, Dieky; Mukhlash, Imam

2017-08-01

Formal verification is a technique for ensuring the correctness of systems. This work focuses on verifying a model of the Automated Teller Machine (ATM) system against some specifications. We construct the model as a state transition diagram that is suitable for verification. The specifications are expressed as Linear Temporal Logic (LTL) formulas. We use Simple Promela Interpreter (SPIN) model checker to check whether the model satisfies the formula. This model checker accepts models written in Process Meta Language (PROMELA), and its specifications are specified in LTL formulas.
Magnetic Dipole and Gamow-Teller Modes in Neutrino-Nucleus Reactions: Impact on Supernova Dynamics and Nucleosynthesis

International Nuclear Information System (INIS)

Neumann-Cosel, P. von; Byelikov, A.; Richter, A.; Shevchenko, A.; Adachi, T.; Fujita, Y.; Shimbara, Y.; Fujita, H.; Heger, A.; Kolbe, E.; Langanke, K.; Martinez-Pinedo, G.

2006-01-01

Some aspects of the importance of neutrino-induced reactions on nuclei within supernova physics are discussed. It is argued that important constraints on the experimentally unknown cross sections can be obtained from experimental studies of the nuclear response in selected cases. Examples are neutral-current induced reactions on fp-shell nuclei extracted from high-resolution inelastic electron scattering data providing the M1 strength distributions and the production of the exotic heavy, odd-odd nuclei 138La and 180Ta through charged-current reactions dominated by Gamow-Teller transitions. The Gamow-Teller strength can deduced from the (3He,t) charge-exchange reaction at zero degree
New SUSYQM coherent states for Pöschl-Teller potentials: a detailed mathematical analysis

Science.gov (United States)

Bergeron, H.; Siegl, P.; Youssef, A.

2012-06-01

In a recent short note (Bergeron et al 2010 Europhys. Lett. 92 60003), we have presented the good properties of a new family of semi-classical states for Pöschl-Teller potentials. These states are built from a supersymmetric quantum mechanics (SUSYQM) approach and the parameters of these ‘coherent’ states are points in the classical phase space. In this paper, we develop all the mathematical aspects that have been left out of the previous paper (proof of the resolution of unity, detailed calculations of the quantized version of classical observables and mathematical study of the resulting operators: problems of domains, self-adjointness or self-adjoint extensions). Some additional questions such as asymptotic behavior are also studied. Moreover, the framework is extended to a larger class of Pöschl-Teller potentials. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical devoted to ‘Coherent states: mathematical and physical aspects’.
New SUSYQM coherent states for Pöschl–Teller potentials: a detailed mathematical analysis

International Nuclear Information System (INIS)

Bergeron, H; Siegl, P; Youssef, A

2012-01-01

In a recent short note (Bergeron et al 2010 Europhys. Lett. 92 60003), we have presented the good properties of a new family of semi-classical states for Pöschl–Teller potentials. These states are built from a supersymmetric quantum mechanics (SUSYQM) approach and the parameters of these ‘coherent’ states are points in the classical phase space. In this paper, we develop all the mathematical aspects that have been left out of the previous paper (proof of the resolution of unity, detailed calculations of the quantized version of classical observables and mathematical study of the resulting operators: problems of domains, self-adjointness or self-adjoint extensions). Some additional questions such as asymptotic behavior are also studied. Moreover, the framework is extended to a larger class of Pöschl–Teller potentials. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical devoted to ‘Coherent states: mathematical and physical aspects’. (paper)
Direct probe of the bent and linear geometries of the core-excited Renner-Teller pair states by means of the triple-ion-coincidence momentum imaging technique

International Nuclear Information System (INIS)

Muramatsu, Y.; Ueda, K.; Chiba, H.; Saito, N.; Lavollee, M.; Czasch, A.; Weber, T.; Jagutzki, O.; Schmidt-Boecking, H.; Moshammer, R.; Becker, U.; Kubozuka, K.; Koyano, I.

2002-01-01

The doubly degenerate core-excited Π state of CO 2 splits into two due to static Renner-Teller effect. Using the triple-ion-coincidence momentum imaging technique and focusing on the dependence of the measured quantities on the polarization of the incident light, we have probed, directly and separately, the linear and bent geometries for the B 1 and A 1 Renner-Teller pair states, as a direct proof of the static Renner-Teller effect
Investigating the Human Computer Interaction Problems with Automated Teller Machine Navigation Menus

Science.gov (United States)

Curran, Kevin; King, David

2008-01-01

Purpose: The automated teller machine (ATM) has become an integral part of our society. However, using the ATM can often be a frustrating experience as people frequently reinsert cards to conduct multiple transactions. This has led to the research question of whether ATM menus are designed in an optimal manner. This paper aims to address the…
PERSAMAAN SCHRODINGER D-DIMENSI BAGIAN SUDUT POTENSIAL POSCHL-TELLER HIPERBOLIK TERDEFORMASI Q PLUS ROSEN-MORSE TRIGONOMETRI MENGGUNAKAN METODE NIKIFOROV-UVAROV

Directory of Open Access Journals (Sweden)

S. Suparmi

2016-11-01

Full Text Available Metode Nikivarof Uvarov merupakan metode penyelesaian persamaan diferensial orde dua dengan mengubah persamaan diferensial orde dua yang umum (persamaan Schrodinger menjadi persamaan diferensial tipe hipergeometrik melalui substitusi variabel yang sesuai untuk memperoleh eigen value dan fungsi gelombang bagian sudut. Penelitian ini merupakan studi literatur untuk menyelesaikan persamaan Schrodinger D-dimensi bagian sudut dengan potensial Poschl-Teller Hiperbolik Terdeformasi q plus Rosen Morse Trigonometri Terdeformasi q menggunakan metode Nikiforov-Uvarov (NU. Pada penelitian ini bertujuan untuk mengetahui bagaimana fungsi gelombang bagian sudut persamaan schrodinger D-dimensi untuk potensial Poschl-Teller Hiperbolik Terdeformasi q plus Rosen Morse Trigonometri Terdeformasi q menggunakan metode Nikiforov-Uvarov (NU.Nikivarof Uvarov is a method to solve second order differential equations by changing general second order differential equation to hyper-geometric differential equation type through substituting relevant variable to obtain eigenvalues and the angle of wave function. This is a literature study to solve the D-dimensional Schrodinger equation with a corner section q Deformed Hyperbolic Poschl Teller plus q Deformed Trigonometric Rosen-Morse Potential using Nikiforov-Uvarov (NU. This study aims to determine the way the angle of wave function of D-dimensional Schrodinger equation for q-Deformed Hyperbolic Poschl Teller plus q Deformed Trigonometric Rosen-Morse Potential using Nikiforov-Uvarov (NU.
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.
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)

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
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.
Gamow-teller transitions: progress and problems

International Nuclear Information System (INIS)

Walter, G.

1994-01-01

The determination of the Gamow-Teller (GT) matrix elements from beta-decay and charge exchange reactions has led to a series of discoveries concerning the structure of the nucleus and the properties of spin-isospin transitions in nuclei. The study of GT distribution and strength, either by charge exchange or weak decay, provides excellent tests for nuclear models as these parameters are extremely sensitive to the details of nuclear structure. Recent improvements of these models have reduced, for the most part, differences between experiment and theory, allowing in turn a more reliable estimate of weak decay rates in stellar matter. A better understanding of the 'missing strength' and of the failure of many experiments to detect the strength that is present have also been obtained. Recently, it appears also that weak decay studies in selected region (proton or neutron rich) of the N-Z plane give access to the GT giant resonance. (J.S.). 65 refs., 10 figs
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)
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
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.
Excitations and relaxation dynamics in multiferroic GeV4S8 studied by terahertz and dielectric spectroscopy

Science.gov (United States)

Reschke, S.; Wang, Zhe; Mayr, F.; Ruff, E.; Lunkenheimer, P.; Tsurkan, V.; Loidl, A.

2017-10-01

We report on THz time-domain spectroscopy on multiferroic GeV4S8 , which undergoes orbital ordering at a Jahn-Teller transition at 30.5 K and exhibits antiferromagnetic order below 14.6 K. The THz experiments are complemented by dielectric experiments at audio and radio frequencies. We identify a low-lying excitation close to 0.5 THz, which is only weakly temperature dependent and probably corresponds to a molecular excitation within the electronic level scheme of the V4 clusters. In addition, we detect complex temperature-dependent behavior of a low-lying phononic excitation, closely linked to the onset of orbitally driven ferroelectricity. In the high-temperature cubic phase, which is paramagnetic and orbitally disordered, this excitation is of relaxational character becomes an overdamped Lorentzian mode in the orbitally ordered phase below the Jahn-Teller transition, and finally appears as well-defined phonon excitation in the antiferromagnetic state. Abrupt changes in the real and imaginary parts of the complex dielectric permittivity show that orbital ordering appears via a structural phase transition with strong first-order character and that the onset of antiferromagnetic order is accompanied by significant structural changes, which are of first-order character, too. Dielectric spectroscopy documents that at low frequencies, significant dipolar relaxations are present in the orbitally ordered, paramagnetic phase only. In contrast to the closely related GaV4S8 , this relaxation dynamics that most likely mirrors coupled orbital and polar fluctuations does not seem to be related to the dynamic processes detected in the THz regime.
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.
High-resolution study of the Gamow-Teller strength distribution in the light nuclei {sup 9}B and {sup 13}N using the ({sup 3}He,t) charge-exchange reaction at 420 MeV beam energy

Energy Technology Data Exchange (ETDEWEB)

Scholl, Clemens

2010-07-07

Excited states in the light nuclei {sup 9}B and {sup 13}C were studied using the ({sup 3}He,t) charge-exchange reaction on {sup 9}Be and {sup 13}C targets. The measurements were performed at the research center for nuclear physics (RCNP) in Osaka, Japan, using the magnetic spectrometer Grand Raiden and the dispersive WS course. The {sup 3}He beam with an energy of 420 MeV was accelerated by the RCNP Ring Cyclotron. The Grand Raiden spectrometer and the WS course allow to study the ({sup 3}He,t) charge-exchange reaction with an energy resolution of around 30 keV, which is one order of magnitude better than measurements with the (p,n) charge-exchange reaction. The high resolution allows to better separate individual states and to determine weak excitation strengths because of low background in the spectra. A total of 19 states in {sup 13}N were studied, and a total of 20 states were observed in {sup 9}B. Of these, 9 states in {sup 13}C and 10 states in {sup 9}B were identified as being excited by a Gamow-Teller transition. Charge-exchange reactions are related to beta-decay, and at zero momentum transfer a simple proportionality exists between the cross-section of the charge-exchange experiment and the Fermi (F) or Gamow-Teller (GT) beta-decay strength. While the Fermi strength B(F) is concentrated in the transition to the isobaric analog state, the Gamow-Teller strength B(GT) is scattered among the excited states. The main aim of the present study is to determine the B(GT) strengths in the nuclei {sup 9}B and {sup 13}N. The only charge-exchange study of {sup 9}B was made 30 years ago with the (p,n) reaction and a resolution of around 300-400 keV. Many states, especially at high excitation energy, could not be resolved by that study. The present work was able to separate many weakly excited states with small decay width at high excitation energies (12-19 MeV) in {sup 9}B and determine the B(GT) strength distribution by using recent high-precision beta-decay data. The
Bethe, Oppenheimer, Teller and the Fermi Award: Norris Bradbury Speaks

Energy Technology Data Exchange (ETDEWEB)

Meade, Roger Allen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-04-28

In 1956 the Enrico Fermi Presidential Award was established to recognize scientists, engineers, and science policymakers who gave unstintingly over their careers to advance energy science and technology. The first recipient was John von Neumann. .1 Among those scientists who were thought eligible for the award were Hans Bethe, J. Robert Oppenheimer, and Edward Teller. In 1959 Norris Bradbury was asked to comment on the relative merits of each these three men, whom he knew well from their affiliation with Los Alamos. Below is a reproduction of the letter Bradbury sent to Dr. Warren C. Johnson of the AEC’s General Advisory Committee(GAC) containing his evaluation of each man. The letter might surprise those not accustomed to Bradbury’s modus operandi of providing very detailed and forthright answers to the AEC. The letter, itself, was found in cache of old microfilm. Whether because of the age of the microfilm or the quality of the filming process, portions of the letter are not legible. Where empty brackets appear, the word or words could not be read or deduced. Words appearing in brackets are guesses that appear, from the image, to be what was written. These guesses, of course, are just that – guesses.
Gamow-Teller decay of T = 1 nuclei to odd-odd N = Z nuclei

Energy Technology Data Exchange (ETDEWEB)

Lisetskiy, A F [National Superconducting Cyclotron Laboratory, MSU, East Lansing, MI 48824 (United States); Gelberg, A [Institute for Nuclear Physics, University of Cologne, 50937 Cologne (Germany); Institute of Physical and Chemical Reasearch (RIKEN), Wako, 351-0198 (Japan); Brentano, P von [Institute for Nuclear Physics, University of Cologne, 50937 Cologne (Germany)

2005-01-01

Transition strengths of Gamow-Teller decay of T{sub z} = {+-}1 nuclei to N = Z odd-odd nuclei have been calculated in a two-nucleon approximation for spherical and deformed nuclei. The results obtained for the latter are quite close to the values obtained by full-space shell-model calculations and to the experiment.
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.
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
Thermodynamics properties study of diatomic molecules with q-deformed modified Poschl-Teller plus Manning Rosen non-central potential in D dimensions using SUSYQM approach

Science.gov (United States)

Suparmi, A.; Cari, C.; Pratiwi, B. N.

2016-04-01

D-dimensional Dirac equation of q-deformed modified Poschl-Teller plus Manning Rosen non-central potential was solved using supersymmetric quantum mechanics (SUSY QM). The relativistic energy spectra were analyzed by using SUSY QM and shape invariant properties from radial part of D dimensional Dirac equation and the angular quantum numbers were obtained from angular part of D dimensional Dirac equation. The SUSY operators was used to generate the D dimensional relativistic wave functions both for radial and angular parts. In the non-relativistic limit, the relativistic energy equation was reduced to the non-relativistic energy. In the classical limit, the partition function of vibrational, the specific heat of vibrational, and the mean energy of vibrational of some diatomic molecules were calculated from the equation of non-relativistic energy with the help of error function and Mat-lab 2011.
Low temperature ultrasonic investigation of ZnSe crystals doped with Ni

Energy Technology Data Exchange (ETDEWEB)

Gudkov, Vladimir [Institute for Metal Physics, Ural Department of the Russian Academy of Sciences, 18, Kovalevskaya st., 620219 Ekaterinburg (Russian Federation); Russian State Vocational Pedagogical University, 11, Mashinostroitelei st., 620012 Ekaterinburg (Russian Federation); Lonchakov, Alexander; Sokolov, Victor; Zhevstovskikh, Irina; Gruzdev, Nikita [Institute for Metal Physics, Ural Department of the Russian Academy of Sciences, 18, Kovalevskaya st., 620219 Ekaterinburg (Russian Federation)

2005-03-01

The peak of ultrasonic absorption observed at {approx}13 K in ZnSe:Ni crystals with dopant concentration of 5.5 x 10{sup 19} cm{sup -3} was interpreted as due to the Jahn-Teller effect. The dynamic contribution to the effective elastic modulus was accounted for and the temperature dependences of relaxation time, relaxed and unrelaxed modulus C{sub 44} were obtained. The procedure of accounting for the dynamic contribution resulted in a more accurate determination of the temperature of phase transition. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Electronic and geometric structures of Ge{sub n}{sup -} and Ge{sub n}{sup +} (n=5-10) clusters in comparison with corresponding Si{sub n} ions

Energy Technology Data Exchange (ETDEWEB)

Li Baoxing; Cao Peilin; Song Bin; Ye Zhezhen

2003-02-10

Using full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method, we have studied the geometric and electronic structures of ionic Ge{sub 5-10} clusters. Our calculations show that the ground state structures of some Ge cluster ions are different from those of their corresponding neutral Ge clusters. Furthermore, the positive Ge ions have more severe structural distortion than the negative Ge ions due to Jahn-Teller distortion. In addition, there are differences between the ground state structures of Ge ions and Si ions, although most of the Ge ions have similar geometrical configurations to their corresponding Si ions.
Phonon renormalization at small q values in the high-temperature phase of CsCuCl sub 3

CERN Document Server

Foerster, U; Schotte, U; Stuhr, U

1997-01-01

The hexagonal perovskite CsCuCl sub 3 exhibits a structural phase transition from a dynamically disordered high-temperature phase to an ordered low-temperature phase due to the cooperative Jahn-Teller effect. The lattice dynamics of the high-temperature phase has been studied by inelastic neutron scattering experiments. The investigations concentrated on small wave vectors q, where for the first time renormalized phonons at q=0.02-0.05 A sup - sup 1 could be observed. The measurements confirm the predictions of a theoretical approach based on the coupling between dynamic reorientation processes and acoustic lattice waves (pseudo-spin phonon coupling). (author)
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)
Low-energy Electro-weak Reactions

International Nuclear Information System (INIS)

Gazit, Doron

2012-01-01

Chiral effective field theory (EFT) provides a systematic and controlled approach to low-energy nuclear physics. Here, we use chiral EFT to calculate low-energy weak Gamow-Teller transitions. We put special emphasis on the role of two-body (2b) weak currents within the nucleus and discuss their applications in predicting physical observables.
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

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.
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.
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
Automated Biometric Voice-Based Access Control in Automatic Teller Machine (ATM)

OpenAIRE

Yekini N.A.; Itegboje A.O.; Oyeyinka I.K.; Akinwole A.K.

2012-01-01

An automatic teller machine requires a user to pass an identity test before any transaction can be granted. The current method available for access control in ATM is based on smartcard. Efforts were made to conduct an interview with structured questions among the ATM users and the result proofed that a lot of problems was associated with ATM smartcard for access control. Among the problems are; it is very difficult to prevent another person from attaining and using a legitimate persons card, ...
Isospectral Trigonometric Pöschl-Teller Potentials with Position Dependent Mass Generated by Supersymmetry

International Nuclear Information System (INIS)

Santiago-Cruz, C

2016-01-01

In this work a position dependent mass Hamiltonian with the same spectrum of the trigonometric Pöschl-Teller one was constructed by means of the underlying potential algebra. The corresponding wave functions are determined by using the factorization method. A new family of isospectral potentials are constructed by applying a Darboux transformation. An example is presented in order to illustrate the formalism. (paper)
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
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....
Breaking of the SU(4) limit for the Gamow-Teller strength in N{proportional_to}Z nuclei

Energy Technology Data Exchange (ETDEWEB)

Petermann, I. [Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany); Gesellschaft fuer Schwerionenforschung Darmstadt, Darmstadt (Germany); Martinez-Pinedo, G. [Gesellschaft fuer Schwerionenforschung Darmstadt, Darmstadt (Germany); Langanke, K. [Gesellschaft fuer Schwerionenforschung Darmstadt, Darmstadt (Germany); Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany); Caurier, E. [Universite Louis Pasteur, Institut de Recherches Subatomiques, Strasbourg (France)

2007-12-15

We have performed large-scale shell model calculations of the Gamow-Teller strength distributions in N{proportional_to}Z pf-shell nuclei. These calculations were motivated by the experimental attempts to measure the low-lying GT strength for the even-even N=Z+2 or N=Z-2 nuclei {sup 46}Ti, {sup 50}Cr, {sup 54}Fe and {sup 62}Ge, where a sizable low-energy GT strength could be interpreted as reminiscence of SU(4) symmetry; in the limit of exact SU(4) symmetry the GT{sub -} strength would be concentrated in a single transition to the lowest T=0, J=1{sup +} state in the daughter. We confirm that the SU(4) symmetry is strongly broken by the spin-orbit interaction and by increasing neutron excess. (orig.)
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)
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.
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.
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
Description of the Gamov-Teller β+-decay of tin isotopes

International Nuclear Information System (INIS)

Kuz'min, V.A.; Solov'ev, V.G.

1988-01-01

The integrated log(ft) values of Gamow-Teller β + decays of the neutron-deficient tine isotopes are calculated in the random phase approximation with particle-hole and particle-particle residual interactions which parameters have been fixed earlier. For |g A /g V |=1 and |g A /g V |=1.263 a good correspondence with the experimental data is obtained for 104,106,108 Sn and a prediction is made for 102 Sn. It is shown that one cannot define from the rate of neutron-deficient nuclei β + decay the renormalization of the axial-vector weak interaction constant g A
AES Cardless Automatic Teller Machine (ATM) Biometric Security System Design Using FPGA Implementation

Science.gov (United States)

Ahmad, Nabihah; Rifen, A. Aminurdin M.; Helmy Abd Wahab, Mohd

2016-11-01

Automated Teller Machine (ATM) is an electronic banking outlet that allows bank customers to complete a banking transactions without the aid of any bank official or teller. Several problems are associated with the use of ATM card such card cloning, card damaging, card expiring, cast skimming, cost of issuance and maintenance and accessing customer account by third parties. The aim of this project is to give a freedom to the user by changing the card to biometric security system to access the bank account using Advanced Encryption Standard (AES) algorithm. The project is implemented using Field Programmable Gate Array (FPGA) DE2-115 board with Cyclone IV device, fingerprint scanner, and Multi-Touch Liquid Crystal Display (LCD) Second Edition (MTL2) using Very High Speed Integrated Circuit Hardware (VHSIC) Description Language (VHDL). This project used 128-bits AES for recommend the device with the throughput around 19.016Gbps and utilized around 520 slices. This design offers a secure banking transaction with a low rea and high performance and very suited for restricted space environments for small amounts of RAM or ROM where either encryption or decryption is performed.
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).
Matrix elements of u and p for the modified Poeschl-Teller potential

International Nuclear Information System (INIS)

Gomez-Camacho, J; Lemus, R; Arias, J M

2004-01-01

Closed analytical expressions in terms of a single sum are obtained for the matrix elements of the momentum and the natural variable u tanh(αx) in the basis of the modified Poeschl-Teller (MPT) bound eigenstates. These matrix elements are first expressed in terms of Franck-Condon factors, which thereafter are substituted for analytic expressions. Expansions of the variables p and u in terms of creation and annihilation operators associated with the MPT bound eigenfunctions are also presented
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)
Study of the giant Gamow-Teller resonance in nuclear beta-decay

International Nuclear Information System (INIS)

Dicklage, R.D. von; Hansen, P.G.

1984-01-01

A strong effort has been devoted to the development of new target-ion-source systems at ISOLDE which would give higher yields of proton-rich nuclei. The first break-trough has been obtained for the element argon where one recently was able to produce about three orders of magnitude higher yields than in the first experiments. This makes it possible to perform experiments, involving β-delayed protons and gamma-rays, which may give information about the giant Gamow-Teller resonance. This paper gives a report on the status of these experiments
Pseudo Jahn–Teller origin of ferroelectric instability in BaTiO{sub 3} type perovskites: The Green's function approach and beyond

Energy Technology Data Exchange (ETDEWEB)

Polinger, V., E-mail: polinv@uw.edu [Department of Physics, University of Washington, Seattle, WA 98195-1560 (United States); Garcia-Fernandez, P. [Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Avenida de los Castros s/n, E-39005 Santander (Spain); Bersuker, I.B. [Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin, TX 78712-0165 (United States)

2015-01-15

The local origin of dipolar distortions in ABO{sub 3} perovskite crystals is reexamined by means of a novel approach, the Green's function method augmented by DFT computations. The ferroelectric distortions are shown to be induced by the pseudo Jahn–Teller effect (PJTE). The latter involves vibronic hybridization (admixture) of the ground state to same-spin opposite-parity excited electronic bands. Similar to numerous molecular calculations, the PJT approach provides a deeper insight into the nature of chemical bonding in the octahedral cluster [BO{sub 6}] and, in particular, reveals the local origin of its polar instability. This allows predicting directly which transition ions can create ferroelectricity. In particular, the necessary conditions are established when an ABO{sub 3} perovskite crystal with an electronic d{sup n} configuration of the complex ion [BO{sub 6}] can possess both proper ferroelectric and magnetic properties. Distinguished from the variety of cluster approaches to local properties, the Green's function method includes the influence of the local vibronic-coupling perturbation on the whole crystal via the inter-cell interaction responsible for creation of electronic and vibrational bands. Calculated Green's functions combined with the corresponding numeric estimates for the nine electronic bands, their density of states, and the local adiabatic potential energy surface (APES) confirm the eight-minimum form of this surface and feasibility of the PJT origin of the polar instability in BaTiO{sub 3}. We show also that multicenter long-range dipole–dipole interactions critically depend on the PJTE largely determining the magnitude of the local dipoles. DFT calculations for the bulk crystal and its clusters confirm that the dipolar distortions are of local origin, but become possible only when their influence on (relaxation of) the whole lattice is taken into account. The results are shown to be in full qualitative and
Nucleon charge-exchange reactions at intermediate energy

Energy Technology Data Exchange (ETDEWEB)

Alford, W.P. [Western Ontario Univ., London, ON (Canada). Dept. of Physics]|[TRIUMF, Vancouver, BC (Canada); Spicer, B.M. [Melbourne Univ., Parkville, VIC (Australia). School of Physics

1997-12-31

An historical review of the development of ideas pertaining to Gamow-Teller giant resonances is given, and a description of the emergence of techniques for the study of charge exchange reactions - particularly the technical advances which yielded the recent volume of new date. The present status of charge exchange reactions is reviewed and assessed. Evidence is presented from the {sup 14}C(p,n) reaction for the dominance of the spin-isospin component of the nucleon-nucleon interaction in intermediate energy reactions. In (p,n) reactions the Gamow-Teller giant resonance dominates the spectra, with higher multipoles contributing. By contrast, in (n,p) reactions in the heavier nuclei, the Gamow-Teller transitions are substantially Pauli-blocked and the spin dipole resonance dominates, with contributions from higher multipoles. Discussions of the multipole decomposition process, used to obtain from the data the contributions of the different multipoles, and the contributions of the multipoles, are given. 226 refs., 19 figs.

Nucleon charge-exchange reactions at intermediate energy

International Nuclear Information System (INIS)

Alford, W.P.; Spicer, B.M.

1997-01-01

An historical review of the development of ideas pertaining to Gamow-Teller giant resonances is given, and a description of the emergence of techniques for the study of charge exchange reactions - particularly the technical advances which yielded the recent volume of new date. The present status of charge exchange reactions is reviewed and assessed. Evidence is presented from the 14 C(p,n) reaction for the dominance of the spin-isospin component of the nucleon-nucleon interaction in intermediate energy reactions. In (p,n) reactions the Gamow-Teller giant resonance dominates the spectra, with higher multipoles contributing. By contrast, in (n,p) reactions in the heavier nuclei, the Gamow-Teller transitions are substantially Pauli-blocked and the spin dipole resonance dominates, with contributions from higher multipoles. Discussions of the multipole decomposition process, used to obtain from the data the contributions of the different multipoles, and the contributions of the multipoles, are given
Enhanced stabilization of Pb, Zn, and Cd in contaminated soils using oxalic acid-activated phosphate rocks.

Science.gov (United States)

Zhang, Zhuo; Guo, Guanlin; Wang, Mei; Zhang, Jia; Wang, Zhixin; Li, Fasheng; Chen, Honghan

2018-01-01

Phosphate amendments, especially phosphate rock (PR), are one of the most commonly used materials to stabilize heavy metals in contaminated soils. However, most of PR reserve consists of low-grade ore, which limits the efficiency of PR for stabilizing heavy metals. This study was to enhance the stabilization of heavy metals through improving the available phosphorous (P) release of PR by oxalic acid activation. Raw PR and activated PR (APR) were characterized by scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDS), X-ray powder diffraction (XRD), Brunauer-Emmett-Teller (BET) surface analysis, and laser diffraction to determine the changes of structure and composition of APR. The stabilization effectiveness of lead (Pb), zinc (Zn), and cadmium (Cd) in soils by APR was investigated through toxicity leaching test and speciation analysis. The results indicated that after treatment by oxalic acid, (1) the crystallinity of the fluorapatite phase of PR transformed into the weddellite phase; (2) the surface area of PR increased by 37%; (3) the particle size of PR became homogenized (20-70 μm); and (4) the available P content in PR increased by 22 times. These changes of physicochemical characteristics of PR induced that APR was more effective to transform soil heavy metals from the non-residual fraction to the residual fraction and enhance the stabilization efficiency of Pb, Zn, and Cd than PR. These results are significant for the future use of low-grade PR to stabilize heavy metals.
Energy levels of one-dimensional systems satisfying the minimal length uncertainty relation

Energy Technology Data Exchange (ETDEWEB)

Bernardo, Reginald Christian S., E-mail: rcbernardo@nip.upd.edu.ph; Esguerra, Jose Perico H., E-mail: jesguerra@nip.upd.edu.ph

2016-10-15

The standard approach to calculating the energy levels for quantum systems satisfying the minimal length uncertainty relation is to solve an eigenvalue problem involving a fourth- or higher-order differential equation in quasiposition space. It is shown that the problem can be reformulated so that the energy levels of these systems can be obtained by solving only a second-order quasiposition eigenvalue equation. Through this formulation the energy levels are calculated for the following potentials: particle in a box, harmonic oscillator, Pöschl–Teller well, Gaussian well, and double-Gaussian well. For the particle in a box, the second-order quasiposition eigenvalue equation is a second-order differential equation with constant coefficients. For the harmonic oscillator, Pöschl–Teller well, Gaussian well, and double-Gaussian well, a method that involves using Wronskians has been used to solve the second-order quasiposition eigenvalue equation. It is observed for all of these quantum systems that the introduction of a nonzero minimal length uncertainty induces a positive shift in the energy levels. It is shown that the calculation of energy levels in systems satisfying the minimal length uncertainty relation is not limited to a small number of problems like particle in a box and the harmonic oscillator but can be extended to a wider class of problems involving potentials such as the Pöschl–Teller and Gaussian wells.
Isotropic Kink and Quasiparticle Excitations in the Three-Dimensional Perovskite Manganite La_{0.6}Sr_{0.4}MnO_{3}.

Science.gov (United States)

Horiba, Koji; Kitamura, Miho; Yoshimatsu, Kohei; Minohara, Makoto; Sakai, Enju; Kobayashi, Masaki; Fujimori, Atsushi; Kumigashira, Hiroshi

2016-02-19

In order to reveal the many-body interactions in three-dimensional perovskite manganites that show colossal magnetoresistance, we performed an in situ angle-resolved photoemission spectroscopy on La_{0.6}Sr_{0.4}MnO_{3} and investigated the behavior of quasiparticles. We observed quasiparticle peaks near the Fermi momentum in both the electron and the hole bands, and clear kinks throughout the entire hole Fermi surface in the band dispersion. This isotropic behavior of quasiparticles and kinks suggests that polaronic quasiparticles produced by the coupling of electrons with Jahn-Teller phonons play an important role in the colossal magnetoresistance properties of the ferromagnetic metallic phase of three-dimensional manganites.
Theoretical evaluation of matrix effects on trapped atomic levels

Energy Technology Data Exchange (ETDEWEB)

Das, G.P.; Gruen, D.M.

1986-06-01

We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs.
Theoretical evaluation of matrix effects on trapped atomic levels

International Nuclear Information System (INIS)

Das, G.P.; Gruen, D.M.

1986-06-01

We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs
Manifestation of spin selection rules on the quantum tunneling of magnetization in a single-molecule magnet.

Science.gov (United States)

Henderson, J J; Koo, C; Feng, P L; del Barco, E; Hill, S; Tupitsyn, I S; Stamp, P C E; Hendrickson, D N

2009-07-03

We present low temperature magnetometry measurements on a new Mn3 single-molecule magnet in which the quantum tunneling of magnetization (QTM) displays clear evidence for quantum mechanical selection rules. A QTM resonance appearing only at high temperatures demonstrates tunneling between excited states with spin projections differing by a multiple of three. This is dictated by the C3 molecular symmetry, which forbids pure tunneling from the lowest metastable state. Transverse field resonances are understood by correctly orienting the Jahn-Teller axes of the individual manganese ions and including transverse dipolar fields. These factors are likely to be important for QTM in all single-molecule magnets.
Distribution of the ligand field at the Fe2+ ion in frozen aqueous solutions of Fe(ClO4)2

International Nuclear Information System (INIS)

Nagy, D.L.; Horvath, D.; Szuecs, I.S.; Spiering, H.

1981-01-01

Moessbauer spectra of eutectic frozen aqueous solutions of Fe(ClO 4 ) 2 have been measured at 4.2 K in applied longitudinal magnetic fields up to 5 T. The spectra are interpreted in terms of a model accounting for the random distribution of the ligand field at the Fe 2+ ion owing to the amorphity of the environment. The equilibrium state of the Fe(H 2 O) 6 2+ complex is determined by a static Jahn-Teller calculation. The main features of all spectra can be well reproduced by choosing Esub(JT)(tau)=140 cm -1 and ωsub(tau)=150 cm -1 . (author)
A quantum mechanical study of La-doped Pb(Zr,Ti)O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Stashans, Arvids [Grupo de Fisica de Cristales, Escuela de Electronica y Telecomunicaciones, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)]. E-mail: arvids@utpl.edu.ec; Maldonado, Frank [Grupo de Fisica de Cristales, Escuela de Electronica y Telecomunicaciones, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)

2007-04-15

Lanthanum-modified Pb(Zr,Ti)O{sub 3} (PZT) crystals have been investigated applying a quantum-mechanical approach based on the Hartree-Fock theory. A morphotropic phase boundary (MPB), PbZr{sub 0.53}Ti{sub 0.47}O{sub 3}, of the crystal was considered throughout the study. The obtained results show the outward atomic displacements with respect to the La impurity within the defective region and also the increase of covalent nature in the chemical bonding of the material. These outcomes are discussed and analyzed in light of the available experimental data. The occurrence of Jahn-Teller self-trapped electron polarons is predicted in the present report.
A quantum mechanical study of La-doped Pb(Zr,Ti)O3

International Nuclear Information System (INIS)

Stashans, Arvids; Maldonado, Frank

2007-01-01

Lanthanum-modified Pb(Zr,Ti)O 3 (PZT) crystals have been investigated applying a quantum-mechanical approach based on the Hartree-Fock theory. A morphotropic phase boundary (MPB), PbZr 0.53 Ti 0.47 O 3 , of the crystal was considered throughout the study. The obtained results show the outward atomic displacements with respect to the La impurity within the defective region and also the increase of covalent nature in the chemical bonding of the material. These outcomes are discussed and analyzed in light of the available experimental data. The occurrence of Jahn-Teller self-trapped electron polarons is predicted in the present report
An Inventory-Routing Problem with Pickups and Deliveries Arising in the Replenishment of Automated Teller Machines

NARCIS (Netherlands)

van Anholt, Roel G.; Coelho, Leandro C.; Laporte, Gilbert; Vis, Iris F. A.

The purpose of this paper is to introduce, model, and solve a rich multiperiod inventory-routing problem with pickups and deliveries motivated by the replenishment of automated teller machines in the Netherlands. Commodities can be brought to and from the depot, as well as being exchanged among
An inventory-routing problem with pickups and deliveries arising in the replenishment of automated teller machines

NARCIS (Netherlands)

Van Anholt, Roel G.; Coelho, Leandro C.; Laporte, Gilbert; Vis, Iris F.A.

2016-01-01

The purpose of this paper is to introduce, model, and solve a rich multiperiod inventory-routing problem with pickups and deliveries motivated by the replenishment of automated teller machines in the Netherlands. Commodities can be brought to and from the depot, as well as being exchanged among
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
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...
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.
Quenching of the Gamow-Teller matrix element in closed LS-shell-plus-one nuclei

International Nuclear Information System (INIS)

Towner, I.S.

1989-06-01

It is evident that nuclear Gamow-Teller matrix elements determined from β-decay and charge-exchange reactions are significantly quenched compared to simple shell-model estimates based on one-body operators and free-nucleon coupling constants. Here we discuss the theoretical origins of this quenching giving examples from light nuclei near LS-closed shells, such as 16 0 and 40 Ca. (Author) 12 refs., 2 tabs
The beta-decay of 48Mn: improved data on Gamow-Teller quenching

International Nuclear Information System (INIS)

Szerypo, J.; Bazin, D.; Brown, B.A.

1991-01-01

Beta-decay studies of very proton-rich nuclides allow to investigate the phenomenon of quenching of Gamow-Teller transitions. A presentation of the experimental techniques is followed by the discussion of preliminray results of the measurements in comparison to shell-model calculations. A corresponding reinvestigation is discussed. A mass-separated 48 Mn beam was used from 12 C( 40 Ca,p3n) reactions. The 48 Mn decay spectroscopy was performed simultaneously in two beam lines of the mass separator. (G.P.) 13 refs.; 2 figs
Isospin symmetry of T-z=+/- 3/2 ->+/- 1/2 Gamow-Teller transitions in A=41 nuclei

NARCIS (Netherlands)

Fujita, Y; Shimbara, Y; Adachi, T; Berg, GPA; Fujita, H; Hatanaka, K; Kamiya, J; Nakanishi, K; Sakemi, Y; Sasaki, S; Shimizu, Y; Tameshige, Y; Uchida, M; Wakasa, T; Yosoi, M

2004-01-01

Under the assumption that isospin T is a good quantum number, isobaric analog states and various analogous transitions are expected in isobars with mass number A. The, strengths of T-z = +/-3/2 --> 1/2 analogous Gamow-Teller (GT) transitions and analogous M1 transitions within the A = 41 isobar
Isospin symmetry of T-z=+/- 3/2 ->+/- 1/2 Gamow-Teller transitions in A=41 nuclei

NARCIS (Netherlands)

Fujita, Y; Shimbara, Y; Adachi, T; Berg, GPA; Fujita, H; Hatanaka, K; Kamiya, J; Nakanishi, K; Sakemi, Y; Sasaki, S; Shimizu, Y; Tameshige, Y; Uchida, M; Wakasa, T; Yosoi, M

Under the assumption that isospin T is a good quantum number, isobaric analog states and various analogous transitions are expected in isobars with mass number A. The, strengths of T-z = +/-3/2 --> 1/2 analogous Gamow-Teller (GT) transitions and analogous M1 transitions within the A = 41 isobar
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.

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.
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.
Gamow-Teller strength functions from N-nucleus scattering experiments at 200-400 MeV

International Nuclear Information System (INIS)

Haeusser, O.; British Columbia Univ., Vancouver; Vetterli, M.C.

1988-01-01

Recent measurements of (n,p), (p vector, p vector') and (p,n) reactions at TRIUMF have made possible a detailed examination of the spin-isospin structure of nuclear excitations up to 50 MeV. Cross sections for 54 Fe(n,p) 54 Mn and spin-flip cross sections for 54 Fe (p vector, p vector') near 300 MeV have been used to estimate the nuclear response for different multipoles L, spin transfers (ΔS = 0,1), and isospins of the residual nucleus (T f = 1,2). Qualitative features of the spin-flip probabilities in (p vector, p vector') are in good agreement with recent surface-RPA calculations. Between 200 and 400 MeV the ΔL=0 spin-flip isovector component is well described by the central part V στ of the Franey-Love interaction. The Gamow-Teller strength S + in 54 Fe, which is of significance in models of pre-collapse supernovae, is found to be smaller by a factor of two than the best available shell model calculations. In (sd)-shell nuclei ( 24,26 Mg, 28 Si) about (70±15)% of the Gamow-Teller strength predicted by untruncated shell-model calculations is found at low excitation. (orig.)
New perovskite-based manganite Pb2Mn2O5

International Nuclear Information System (INIS)

Hadermann, Joke; Abakumov, Artem M.; Perkisas, Tyche; D'Hondt, Hans; Tan Haiyan; Verbeeck, Johan; Filonenko, Vladimir P.; Antipov, Evgeny V.; Van Tendeloo, Gustaaf

2010-01-01

A new perovskite based compound Pb 2 Mn 2 O 5 has been synthesized using a high pressure high temperature technique. The structure model of Pb 2 Mn 2 O 5 is proposed based on electron diffraction, high angle annular dark field scanning transmission electron microscopy and high resolution transmission electron microscopy. The compound crystallizes in an orthorhombic unit cell with parameters a=5.736(1) A∼√2a p , b=3.800(1) A∼a p , c=21.562(6) A∼4√2a p (a p -the parameter of the perovskite subcell) and space group Pnma. The Pb 2 Mn 2 O 5 structure consists of quasi two-dimensional perovskite blocks separated by 1/2[110] p (101) p crystallographic shear planes. The blocks are connected to each other by chains of edge-sharing MnO 5 distorted tetragonal pyramids. The chains of MnO 5 pyramids and the MnO 6 octahedra of the perovskite blocks delimit six-sided tunnels accommodating double chains of Pb atoms. The tunnels and pyramidal chains adopt two mirror-related configurations ('left' L and 'right' R) and layers consisting of chains and tunnels of the same configuration alternate in the structure according to an -L-R-L-R-sequence. The sequence is sometimes locally violated by the appearance of -L-L- or -R-R-fragments. A scheme is proposed with a Jahn-Teller distortion of the MnO 6 octahedra with two long and two short bonds lying in the a-c plane, along two perpendicular orientations within this plane, forming a d-type pattern. - Graphical abstract: Order of the Jahn-Teller distorted MnO 6 octahedra in Pb 2 Mn 2 O 5 . Two long and two short bonds lie in the a-c plane, along two perpendicular orientations within this plane, forming a d-type pattern.
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.
Approximate analytical solution of the Dirac equation for pseudospin symmetry with modified Po schl-Teller potential and trigonometric Scarf II non-central potential using asymptotic iteration method

International Nuclear Information System (INIS)

Pratiwi, B N; Suparmi, A; Cari, C; Yunianto, M; Husein, A S

2016-01-01

We apllied asymptotic iteration method (AIM) to obtain the analytical solution of the Dirac equation in case exact pseudospin symmetry in the presence of modified Pcischl- Teller potential and trigonometric Scarf II non-central potential. The Dirac equation was solved by variables separation into one dimensional Dirac equation, the radial part and angular part equation. The radial and angular part equation can be reduced into hypergeometric type equation by variable substitution and wavefunction substitution and then transform it into AIM type equation to obtain relativistic energy eigenvalue and wavefunctions. Relativistic energy was calculated numerically by Matlab software. And then relativistic energy spectrum and wavefunctions were visualized by Matlab software. The results show that the increase in the radial quantum number n_r causes decrease in the relativistic energy spectrum. The negative value of energy is taken due to the pseudospin symmetry limit. Several quantum wavefunctions were presented in terms of the hypergeometric functions. (paper)
Orbital symmetry fingerprints for magnetic adatoms in graphene

Science.gov (United States)

Uchoa, Bruno; Yang, Ling; Tsai, S.-W.; Peres, N. M. R.; Castro Neto, A. H.

2014-01-01

In this paper, we describe the formation of local resonances in graphene in the presence of magnetic adatoms containing localized orbitals of arbitrary symmetry, corresponding to any given angular momentum state. We show that quantum interference effects which are naturally inbuilt in the honeycomb lattice in combination with the specific orbital symmetry of the localized state lead to the formation of fingerprints in differential conductance curves. In the presence of Jahn-Teller distortion effects, which lift the orbital degeneracy of the adatoms, the orbital symmetries can lead to distinctive signatures in the local density of states. We show that those effects allow scanning tunneling probes to characterize adatoms and defects in graphene.
Soft modes and structural phase transitions

Energy Technology Data Exchange (ETDEWEB)

Venkataraman, G [Reactor Research Centre, Kalpakkam (India)

1979-12-01

A survey of soft modes and their relationship to structural phase transitions is presented. After introducing the concept of a soft mode, the origin of softening is considered from a lattice-dynamical point. The Landau theory approach to structural transitions is then discussed, followed by a generalisation of the soft-mode concept through the use of the dynamic order-parameter susceptibility. The relationship of soft modes to broken symmetry is also examined. Experimental results for several classes of crystals are next presented, bringing out various features such as the co-operative Jahn-Teller effect. The survey concludes with a discussion of the central peak, touching upon both the experimental results and the theoretical speculations.
Uniaxial pressure-induced half-metallic ferromagnetic phase transition in LaMnO3

Science.gov (United States)

Rivero, Pablo; Meunier, Vincent; Shelton, William

2016-03-01

We use first-principles theory to predict that the application of uniaxial compressive strain leads to a transition from an antiferromagnetic insulator to a ferromagnetic half-metal phase in LaMnO3. We identify the Q2 Jahn-Teller mode as the primary mechanism that drives the transition, indicating that this mode can be used to tune the lattice, charge, and spin coupling. Applying ≃6 GPa of uniaxial pressure along the [010] direction activates the transition to a half-metallic pseudocubic state. The half-metallicity opens the possibility of producing colossal magnetoresistance in the stoichiometric LaMnO3 compound at significantly lower pressure compared to recently observed investigations using hydrostatic pressure.
Displacement disorder and reconstruction of the (001) face of tungsten

International Nuclear Information System (INIS)

Egorushkin, V.E.; Kul'ment'ev, A.I.; Savushkin, E.V.

1992-01-01

The reconstruction of the (001) border of tungsten is examined taking into consideration random static displacements of surface atoms in the high-temperature (1 x 1) phase. A microscopic model is proposed, in which the creation of c(2 x 2) phase is described as a transition of the Jahn-Teller type and an ordering of static displacements. It is shown that displacement disorder induces instability of (001) tungsten with respect to reconstruction. The effect of a uniform electric field on a disordered reconstructing surface is examined. A possible reason is given for pronounced differences in the results of investigations of the structural conversion of the (001) face in tungsten when different experimental methods are used
Energy and technology review

International Nuclear Information System (INIS)

Brown, P.S.

1983-06-01

Research activities at Lawrence Livermore National Laboratory are described in the Energy and Technology Review. This issue includes articles on measuring chromosome changes in people exposed to cigarette smoke, sloshing-ion experiments in the tandem mirror experiment, aluminum-air battery development, and a speech by Edward Teller on national defense. Abstracts of the first three have been prepared separately for the data base
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
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.
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)
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).
Energy and technology review

Energy Technology Data Exchange (ETDEWEB)

Brown, P.S. (ed.)

1983-06-01

Research activities at Lawrence Livermore National Laboratory are described in the Energy and Technology Review. This issue includes articles on measuring chromosome changes in people exposed to cigarette smoke, sloshing-ion experiments in the tandem mirror experiment, aluminum-air battery development, and a speech by Edward Teller on national defense. Abstracts of the first three have been prepared separately for the data base. (GHT)
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 ...
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).
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.
Nuclear structure properties and stellar weak rates for 76Se: Unblocking of the Gamow Teller strength

Science.gov (United States)

Nabi, Jameel-Un; Ishfaq, Mavra; Böyükata, Mahmut; Riaz, Muhammad

2017-10-01

At finite temperatures (≥ 107K), 76Se is abundant in the core of massive stars and electron capture on 76Se has a consequential role to play in the dynamics of core-collapse. The present work may be classified into two main categories. In the first phase we study the nuclear structure properties of 76Se using the interacting boson model-1 (IBM-1). The IBM-1 investigations include the energy levels, B (E 2) values and the prediction of the geometry. We performed the extended consistent-Q formalism (ECQF) calculation and later the triaxial formalism calculation (constructed by adding the cubic term to the ECQF). The geometry of 76Se can be envisioned within the formalism of the potential energy surface based on the classical limit of IBM-1 model. In the second phase, we reconfirm the unblocking of the Gamow-Teller (GT) strength in 76Se (a test case for nuclei having N > 40 and Z fashion. Results are compared with experimental data and previous calculations. The calculated GT distribution fulfills the Ikeda sum rule. Rates for β-delayed neutrons and emission probabilities are also calculated. Our study suggests that at high stellar temperatures and low densities, the β+-decay on 76Se should not be neglected and needs to be taken into consideration along with electron capture rates for simulation of presupernova evolution of massive stars.

Attitude to nuclear energy problems

International Nuclear Information System (INIS)

Danzmann, H.J.

1975-01-01

Two methods are dealt with which show the dialectic shrewdness of some of the active nuclear energy opponents in their attempt to influence opinions. By means of examples of quotations from lectures of recognized scientists (v. Weizsaecker, Teller, Heisenberg, Winnacker) which are torn out of their context, the public are deliberately misled by a few demagogic nuclear power critics. (HP/LH) [de
Gamow-Teller transitions and neutron-proton-pair transfer reactions

Science.gov (United States)

Van Isacker, P.; Macchiavelli, A. O.

2018-05-01

We propose a schematic model of nucleons moving in spin-orbit partner levels, j = l ± 1/2, to explain Gamow-Teller and two-nucleon transfer data in N = Z nuclei above 40Ca. Use of the LS coupling scheme provides a more transparent approach to interpret the structure and reaction data. We apply the model to the analysis of charge-exchange, 42Ca(3He,t)42Sc, and np-transfer, 40Ca(3He,p)42Sc, reactions data to define the elementary modes of excitation in terms of both isovector and isoscalar pairs, whose properties can be determined by adjusting the parameters of the model (spin-orbit splitting, isovector pairing strength and quadrupole matrix element) to the available data. The overall agreement with experiment suggests that the approach captures the main physics ingredients and provides the basis for a boson approximation that can be extended to heavier nuclei. Our analysis also reveals that the SU(4)-symmetry limit is not realized in 42Sc.
Structure of β-decay strength functions

International Nuclear Information System (INIS)

Naumov, Y.V.; Bykov, A.A.; Izosimov, I.N.

1983-01-01

The experimental and theoretical studies on the structure of the Gamow--Teller β-decay strength functions are reviewed. Also considered are processes such as M1 γ decay of analog states, the emission of delayed protons, neutrons, and α particles, delayed fission, and the (p, n) reaction at proton energies 100--200 MeV. The results of measurements of the strength functions by γ-ray total absorption are analyzed. It is shown that the β + decay of nuclei far from the stability band exhibits a new type of collective charge-exchange excitation: Gamow--Teller resonance with μ/sub tau/ = +1
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.
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
Beta decay of 97Ag: evidence for the Gamow-Teller resonance near 100Sn

International Nuclear Information System (INIS)

Hu Zhiqiang

1999-03-01

In two complementary measurements, a cube like array of 6 Euroball-Cluster germanium detectors and a total-absorption γ-spectrometer were used to investigate the β decay of 97 Ag, a three proton-hole nucleus with respect to the 100 Sn core. The half-life and Q EC value of the decay of the 9/2 + ground-state of 97 Ag were determined to be 25.9(4) s and 6.98(11) MeV respectively. A total of 603 γ rays (578 new) was observed, and 151 levels (132 new) in 97 Pd have been identified. An interesting β-delayed γ cascade was observed, which comprises 6 γ-transitions with a de-excitation pattern involving an initial increase of the level spin. The Gamow-Teller (GT) β-decay strength distributions from the two measurements reveal a large GT resonance around 4 MeV with a width of about 1.8 MeV. The hindrance factor for the total GT strength summed from the ground-state up to 6 MeV excitation energy in 97 Pd, amounts to 4.3(6) with reference to a shell-model prediction. This factor is discussed in comparison with a core-polarization and a Monte-Carlo shell-model calculation. (orig.)
Frequency effects on charge ordering in Y{sub 0.5}Ca{sub 0.5}MnO{sub 3} by impedance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Sarwar, Tuba, E-mail: sarwartuba@gmail.com [EMMG, Physics Division, PINSTECH, P. O. Nilore, Islamabad (Pakistan); DPAM, PIEAS, P. O. Nilore, Islamabad (Pakistan); Qamar, Afzaal [Queensland Micro-Nanotechnology Centre, Griffith University, Nathan, QLD 4111 (Australia); Nadeem, Muhammad [EMMG, Physics Division, PINSTECH, P. O. Nilore, Islamabad (Pakistan)

2015-02-01

In this work, structural and electrical properties of Y{sub 0.5}Ca{sub 0.5}MnO{sub 3} 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 T{sub CO}. 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 T{sub N}(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 Mn{sup 3+} and Mn{sup 4+} channels assessing the activation energy E{sub a}. - Highlights: • Present study contains a detailed investigation over the electrical and structural properties of Y{sub 0.5}Ca{sub 0.5}MnO{sub 3} especially its behavior across the charge ordering transition. • Impedance measurements illustrate the comprehensive melting and collapse of robust charge orbital ordering with colossal drop in impedance. • In T{sub N}Teller distortions badly frustrating the spins of manganese. • Modulus plane plots determine the spreading of relaxation time of intermingled phases indicating the contribution of grain boundary and grain interior. • Variable range hopping model and Arrhenius model are used to discuss the short and long range hopping between Mn{sup 3+} and Mn{sup 4+} channels assessing the activation energy E{sub a}.
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.
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.
The structure of the Gamow-Teller giant resonance and consequences for beta-delayed neutron spectra and element synthesis

International Nuclear Information System (INIS)

Klapdor, H.V.

1976-01-01

Recent results in β-delayed neutron emission are interpreted by structure of the Gamow-Teller giant resonance not included in the 'gross-theory' of β-decay. Inclusion of this structure of the β-decay function is important for calculations of β-decay production rates for heavy nuclides by astrophysical processes and thermonuclear explosions. (Auth.)
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
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.
Enhanced way of securing automated teller machine to track the misusers using secure monitor tracking analysis

Science.gov (United States)

Sadhasivam, Jayakumar; Alamelu, M.; Radhika, R.; Ramya, S.; Dharani, K.; Jayavel, Senthil

2017-11-01

Now a days the people's attraction towards Automated Teller Machine(ATM) has been increasing even in rural areas. As of now the security provided by all the bank is ATM pin number. Hackers know the way to easily identify the pin number and withdraw money if they haven stolen the ATM card. Also, the Automated Teller Machine is broken and the money is stolen. To overcome these disadvantages, we propose an approach “Automated Secure Tracking System” to secure and tracking the changes in ATM. In this approach, while creating the bank account, the bank should scan the iris known (a part or movement of our eye) and fingerprint of the customer. The scanning can be done with the position of the eye movements and fingerprints identified with the shortest measurements. When the card is swiped then ATM should request the pin, scan the iris and recognize the fingerprint and then allow the customer to withdraw money. If somebody tries to break the ATM an alert message is given to the nearby police station and the ATM shutter is automatically closed. This helps in avoiding the hackers who withdraw money by stealing the ATM card and also helps the government in identifying the criminals easily.
Impurity model for mixed-valent Mn3+/Mn4+ ions

International Nuclear Information System (INIS)

Schlottmann, P.; Lee, K.

1997-01-01

Intermediate valent tri- and tetravalent manganese ions play an important role in LaMnO 3 -based systems. We consider a Mn impurity with five orbitals in cubic symmetry which hybridize with conduction electrons. The exchange interaction in the d shell maximizes the impurity spin. We study the valence of the Mn impurity as a function of the splitting of the e g to t 2g orbitals in zero magnetic field and for the totally spin-polarized state. The lifting of the degeneracy of the e g levels due to a small quadrupolar field, related to the Mn-O bond length or a Jahn-Teller effect, is also investigated. Possible implications on the magnetoresistance are discussed. copyright 1997 The American Physical Society
ESR of Ag2+ ions in S2F2 crystal

International Nuclear Information System (INIS)

Zaripov, M.M.; Ulanov, V.A.; Falin, M.L.

1989-01-01

Experimental data on investigation of bivalent silver ions in S 2 F 2 crystals are presented. Due to the investigation of the grown crystals it is determined that centres of univalent silver ore formed in SrF 2 during crystal growth. X-ray irradiation at room temperature results in the transition of these centres in bivalent staes. Investigation of temperature dependence of ESR spectra type has allowed to make the conclusion about the presence of Jahn-Teller dynamic effect. Analysis of experimental data allows to develop a model of the investigated paramagnetic complex in S 2 F 2 crystal where Ag 2* ion has coordination polyhedron in the form of eight F - ion cube distorted by C 3 3 axis
Synchrotron radiation-based 61Ni Mössbauer spectroscopic study of Li(Ni1/3Mn1/3Co1/3)O2 cathode materials of lithium ion rechargeable battery

Science.gov (United States)

Segi, Takashi; Masuda, Ryo; Kobayashi, Yasuhiro; Tsubota, Takayuki; Yoda, Yoshitaka; Seto, Makoto

2016-12-01

Layered rocksalt type oxides, such as Li(Ni1/3Mn1/3Co1/3)O2, are widely used as the cathode active materials of lithium-ion rechargeable batteries. Because the nickel ions are associated with the role of the charge compensation at discharge and charge, the 61Ni Mössbauer measurements at 6 K using synchrotron radiation were performed to reveal the role of Ni. The Ni ions of the active materials play two roles for the redox process between the charge and discharge states of lithium-ion batteries. Half of the total Ni ions change to the low-spin Ni3+ with Jahn-Teller distortion from the Ni2+ ions of the discharge state. The remainder exhibit low-spin state divalent Ni ions.
New Layered Oxide-Fluoride Perovskites: KNaNbOF5 and KNaMO2F4 (M = Mo6+, W6+

Directory of Open Access Journals (Sweden)

Rachelle Ann F. Pinlac

2011-03-01

Full Text Available KNaNbOF5 and KNaMO2F4 (M = Mo6+, W6+, three new layered oxide-fluoride perovskites with the general formula ABB’X6, form from the combination of a second-order Jahn-Teller d0 transition metal and an alkali metal (Na+ on the B-site. Alternating layers of cation vacancies and K+ cations on the A-site complete the structure. The K+ cations are found in the A-site layer where the fluoride ions are located. The A-site is vacant in the adjacent A-site layer where the axial oxides are located. This unusual layered arrangement of unoccupied A-sites and under bonded oxygen has not been observed previously although many perovskite-related structures are known.
High-pressure phase of the cubic spinel NiMn2O4

DEFF Research Database (Denmark)

Åsbrink, S.; Waskowska, A.; Olsen, J. Staun

1998-01-01

experimental uncertainty, there is no volume change at the transition. The cia ratio of the tetragonal spinel is almost independent of pressure and equal to 0.91. The phase transition is attributed to the Jahn-Teller-type distortion and the ionic configurationcan be assumed as (Mn3+)(tetr)[Ni2+Mn3+](oct......It has been observed that the fee spinel NiMn2O4 transforms to a tetragonal structure at about 12 GPa. The tetragonal phase does not revert to the cubic phase upon decompression and its unit-cell constants at ambient pressure are a(0)=8.65(8) and c(0)=7.88(15) Angstrom (distorted fee). Within thr......). The bulk modulus of the cubic phase is 206(4) GPa....
Spontaneous electric polarization in the B-site magnetic spinel GeCu2O4

Science.gov (United States)

Yanda, Premakumar; Ghara, Somnath; Sundaresan, A.

2018-04-01

We report the observation of a spontaneous electric polarization at the antiferromagnetic ordering temperature (TN ∼ 33 K) of Cu2+ ions in the B-site magnetic spinel GeCu2O4, synthesized at high pressure and high temperature. This compound is known to crystallize in a tetragonal structure (space group I41/amd) due to Jahn-Teller distortion of Cu2+ ions and exhibit a collinear up-up-down-down (↑↑↓↓) antiferromagnetic spin configuration below TN. We found a clear dielectric anomaly at TN, where an electric polarization appears in the absence of applied magnetic field. The electric polarization is suppressed by applied magnetic fields, which demonstrates that the compound GeCu2O4 is a type-II multiferroic.
High pressure synthesis, crystal growth and magnetic properties of TiOF

Science.gov (United States)

Cumby, J.; Burchell, M. B.; Attfield, J. P.

2018-06-01

Polycrystalline samples of TiOF have been prepared at 1300 °C and 8 GPa, with small single crystals grown at the same conditions. The crystal structure remains tetragonal rutile-type down to at least 90 K (space group P42/mnm, a = 4.6533 (2) Å and c = 3.0143 (2) Å at 90 K) and the Ti(O,F)6 octahedra are slightly compressed, consistent with Jahn-Teller distortion of 3d1 Ti3+. Diffuse scattering reveals disordered structural correlations that may arise from local cis-order of oxide anions driven by covalency. TiOF is paramagnetic down to 5 K and observation of a small paramagnetic moment and a substantial Pauli term indicates that the d-electrons are partially delocalised.

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.
What makes an automated teller machine usable by blind users?

Science.gov (United States)

Manzke, J M; Egan, D H; Felix, D; Krueger, H

1998-07-01

Fifteen blind and sighted subjects, who featured as a control group for acceptance, were asked for their requirements for automated teller machines (ATMs). Both groups also tested the usability of a partially operational ATM mock-up. This machine was based on an existing cash dispenser, providing natural speech output, different function menus and different key arrangements. Performance and subjective evaluation data of blind and sighted subjects were collected. All blind subjects were able to operate the ATM successfully. The implemented speech output was the main usability factor for them. The different interface designs did not significantly affect performance and subjective evaluation. Nevertheless, design recommendations can be derived from the requirement assessment. The sighted subjects were rather open for design modifications, especially the implementation of speech output. However, there was also a mismatch of the requirements of the two subject groups, mainly concerning the key arrangement.
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
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.
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.
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.
Energy-efficient biogas reforming process to produce syngas: The enhanced methane conversion by O_2

International Nuclear Information System (INIS)

Chen, Xuejing; Jiang, Jianguo; Li, Kaimin; Tian, Sicong; Yan, Feng

2017-01-01

Highlights: • The effect of O_2 content from 0 to 15% on Ni/SiO_2 are studied for biogas reforming. • The presence of O_2 in biogas improves CH_4 conversion and stability of biogas reforming. • An obvious carbon-resistance effect is observed due to the carbon gasification effect of O_2 in biogas. • The presence of O_2 in biogas greatly helps inhibit the catalyst sintering. - Abstract: We report an energy-efficient biogas reforming process with high and stable methane conversions by O_2 presence. During this biogas reforming process, the effects of various O_2 concentrations in biogas on initial conversions and stability at various temperatures on a Ni/SiO_2 catalyst were detailed investigated. In addition, theoretical energy consumption and conversions were calculated based on the Gibbs energy minimization method to compare with experimental results. Carbon formation and sintering during the reforming process were characterized by thermal gravity analysis, the Brunauer-Emmett-Teller method, X-ray diffraction, and high-resolution transmission electron microscopy to investigate the feasibility of applying this process to an inexpensive nickel catalyst. The results showed that 5% O_2 in biogas improved the CH_4 conversion and stability of biogas reforming. The enhancement of stability was attributed to the inhibited sintering, our first finding, and the reduced carbon deposition at the same time, which sustained a stable conversion of CH_4, and proved the applicability of base Ni catalyst to this process. Higher O_2 concentrations (⩾10%) in biogas resulted in severe decrease in CO_2 conversion and greater H_2O productivity. Our proposed biogas reforming process, with a high and stable conversion of CH_4, reduced energy input, and the applicability to inexpensive base metal catalyst, offers a good choice for biogas reforming with low O_2 concentrations (⩽5%) to produce syngas with high energy efficiency.
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
On a family of (1+1)-dimensional scalar field theory models: Kinks, stability, one-loop mass shifts

Energy Technology Data Exchange (ETDEWEB)

Alonso-Izquierdo, A., E-mail: alonsoiz@usal.es [Departamento de Matematica Aplicada and IUFFyM, Universidad de Salamanca (Spain); Mateos Guilarte, J. [Departamento de Fisica Fundamental and IUFFyM, Universidad de Salamanca (Spain)

2012-09-15

In this paper we construct a one-parametric family of (1+1)-dimensional one-component scalar field theory models supporting kinks. Inspired by the sine-Gordon and {phi}{sup 4} models, we look at all possible extensions such that the kink second-order fluctuation operators are Schroedinger differential operators with Poeschl-Teller potential wells. In this situation, the associated spectral problem is solvable and therefore we shall succeed in analyzing the kink stability completely and in computing the one-loop quantum correction to the kink mass exactly. When the parameter is a natural number, the family becomes the hierarchy for which the potential wells are reflectionless, the two first levels of the hierarchy being the sine-Gordon and {phi}{sup 4} models. - Highlights: Black-Right-Pointing-Pointer We construct a family of scalar field theory models supporting kinks. Black-Right-Pointing-Pointer The second-order kink fluctuation operators involve Poeschl-Teller potential wells. Black-Right-Pointing-Pointer We compute the one-loop quantum correction to the kink mass with different methods.
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
High-resolution study of Gamow-Teller transitions in the 47Ti(3He,t)47V reaction

Science.gov (United States)

Ganioǧlu, E.; Fujita, H.; Fujita, Y.; Adachi, T.; Algora, A.; Csatlós, M.; Deaven, J. M.; Estevez-Aguado, E.; Guess, C. J.; Gulyás, J.; Hatanaka, K.; Hirota, K.; Honma, M.; Ishikawa, D.; Krasznahorkay, A.; Matsubara, H.; Meharchand, R.; Molina, F.; Okamura, H.; Ong, H. J.; Otsuka, T.; Perdikakis, G.; Rubio, B.; Scholl, C.; Shimbara, Y.; Susoy, G.; Suzuki, T.; Tamii, A.; Thies, J. H.; Zegers, R. G. T.; Zenihiro, J.

2013-01-01

Given the importance of Gamow-Teller (GT) transitions in nuclear structure and astrophysical nuclear processes, we have studied Tz=+3/2→+1/2, GT transitions starting from the 47Ti nucleus in the (3He,t) charge-exchange reaction at 0∘ and at an intermediate incident energy of 140 MeV/nucleon. The experiments were carried out at the Research Center for Nuclear Physics (RCNP), Osaka, using the high-resolution facility with a high-dispersion beam line and the Grand-Raiden spectrometer. With an energy resolution of 20 keV, individual GT transitions were observed and GT strength was derived for each state populated up to an excitation energy (Ex) of 12.5 MeV. The GT strength was widely distributed from low excitation energy up to 12.5 MeV, where we had to stop the analysis because of the high level density. The distribution of the GT strengths was compared with the results of shell model calculations using the GXPF1 interaction. The calculations could reproduce the experimental GT distributions well. The GT transitions from the ground state of 47Ti and the M1 transitions from the isobaric analog state in 47V to the same low-lying states in 47V are analogous. It was found that the ratios of GT transition strengths to the ground state, the 0.088-MeV state, and the 0.146-MeV state are similar to the ratios of the strengths of the analogous M1 transitions from the isobaric analog state (IAS) to these states. The measured distribution of the GT strengths was also compared with those starting from the Tz=+3/2 nucleus 41K to the Tz=+1/2 nucleus 41Ca.
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.
Gamow-Teller strength functions from (→p,→p') scattering experiments

International Nuclear Information System (INIS)

Hausser, O.

1987-01-01

We present here recent (→p, →'p) results from TRIUMF that are relevant to the determination of spin-flip isovector strength functions in nuclei. Distortion factors needed for the extraction of nuclear-structure information have been deduced from cross sections and analyzing powers in elastic scattering for several energies and targets. Nonrelativistic optical potentials obtained by folding effective nucleon (N)-nucleus interactions with nuclear densities are found to overpredict both elastic and reaction cross sections, whereas Dirac calculations that include Pauli blocking are in good agreement with the data. Spin observables (S nn and A y ) for the quasi-elastic region in 54 Fe(→p, →p) at 290 MeV provide some evidence for the reduction of the effective proton mass predicted in relativistic mean-field theories as a consequence of the attractive scalar field in the nuclear medium. The energy dependence of the effective N-nucleus interaction at small momentum transfers has been investigated using isoscalar and isovector 1 + states in 28 Si as probe states. We find that the cross sections for the isovector transitions are in good agreement with predictions for the dominant Vστ part of the Franey-Love interaction. Gamow-Teller (GT) strength functions have been obtained in 24 Mg and 54 Fe from measurements of both cross sections and spin-flip probabilities S nn . The spin-flip cross sections σS nn are particularly useful in heavier nuclei to discriminate against a continuous background of ΔS = 0 excitations. In the (s, d) shell where full shell-model wave functions are available, the GT quenching factors (g A eff / g A free ) 2 ≅ 0.7 are in good agreement with those from recent (p, n) and (n, p) experiments. We show that a state-by-state comparison of (p, p') and (e, e') results has the potential of identifying pionic current contributions in (e, e'). The GT quenching factors in 54 Fe are smaller than in the (s, d) shell probably because of severely
Gamow-Teller strength distributions and electron capture rates for 55Co and 56Ni

International Nuclear Information System (INIS)

Nabi, Jameel-Un; Rahman, Muneeb-Ur

2005-01-01

The Gamow-Teller strength (GT) distributions and electron capture rates on 55 Co and 56 Ni have been calculated using the proton-neutron quasiparticle random phase approximation theory. We calculate these weak interaction mediated rates over a wide temperature (0.01x10 9 -30x10 9 K) and density (10-10 11 gcm -3 ) domain. Electron capture process is one of the essential ingredients involved in the complex dynamics of supernova explosion. Our calculations of electron capture rates show differences with the reported shell model diagonalization approach calculations and are comparatively enhanced at presupernova temperatures. We note that the GT strength is fragmented over many final states
Photophysics of trioxatriangulenium ion. Electrophilic reactivity in the ground state and excited singlet state

DEFF Research Database (Denmark)

Reynisson, J.; Wilbrandt, R.; Brinck, V.

2002-01-01

. The physical and chemical properties of the excited singlet state of the trioxatriangulenium (TOTA(+)) carbenium ion are investigated by experimental and Computational means. The degeneracy of the lowest excited states is counteracted by Jahn-Teller-type distortion, which leads to vibronic broadening...... of the long wavelength absorption band. A strong fluorescence is observed at 520 nm (tau(n) = 14.6 ns, phi(n) = 0.12 in deaerated acetonitrile). The fluorescence is quenched by 10 aromatic electron donors predominantly via a dynamic charge transfer mechanism, but ground state complexation is shown...... triphenylenes is studied separately. Phosphorescence spectra, triplet lifetimes, and triplet-triplet absorption spectra are provided. In the discussion, TOTA(+) is compared to the unsubstituted xanthenium ion and its 9-phenyl derivative with respect to the excited state properties....
Coupled Electronic and Magnetic Phase Transition in the Infinite-Layer Phase LaSrNiRuO4.

Science.gov (United States)

Patino, Midori Amano; Zeng, Dihao; Bower, Ryan; McGrady, John E; Hayward, Michael A

2016-09-06

Topochemical reduction of the ordered double perovskite LaSrNiRuO6 with CaH2 yields LaSrNiRuO4, an extended oxide phase containing infinite sheets of apex-linked, square-planar Ni(1+)O4 and Ru(2+)O4 units ordered in a checkerboard arrangement. At room temperature the localized Ni(1+) (d(9), S = (1)/2) and Ru(2+) (d(6), S = 1) centers behave paramagnetically. However, on cooling below 250 K the system undergoes a cooperative phase transition in which the nickel spins align ferromagnetically, while the ruthenium cations appear to undergo a change in spin configuration to a diamagnetic spin state. Features of the low-temperature crystal structure suggest a symmetry lowering Jahn-Teller distortion could be responsible for the observed diamagnetism of the ruthenium centers.
Synchrotron radiation-based {sup 61}Ni Mössbauer spectroscopic study of Li(Ni{sub 1/3}Mn{sub 1/3}Co{sub 1/3})O{sub 2} cathode materials of lithium ion rechargeable battery

Energy Technology Data Exchange (ETDEWEB)

Segi, Takashi, E-mail: segi.takashi@kki.kobelco.com [Kobelco Research Institute, Inc. (Japan); Masuda, Ryo; Kobayashi, Yasuhiro [Kyoto University, Research Reactor Institute (Japan); Tsubota, Takayuki [Kobelco Research Institute, Inc. (Japan); Yoda, Yoshitaka [Japan Synchrotron Radiation Research Institute, Research and Utilization Division (Japan); Seto, Makoto [Kyoto University, Research Reactor Institute (Japan)

2016-12-15

Layered rocksalt type oxides, such as Li(Ni{sub 1/3}Mn{sub 1/3}Co{sub 1/3})O{sub 2}, are widely used as the cathode active materials of lithium-ion rechargeable batteries. Because the nickel ions are associated with the role of the charge compensation at discharge and charge, the {sup 61}Ni Mössbauer measurements at 6 K using synchrotron radiation were performed to reveal the role of Ni. The Ni ions of the active materials play two roles for the redox process between the charge and discharge states of lithium-ion batteries. Half of the total Ni ions change to the low-spin Ni {sup 3+} with Jahn-Teller distortion from the Ni {sup 2+} ions of the discharge state. The remainder exhibit low-spin state divalent Ni ions.
Orbital physics in sulfur spinels: ordered, liquid and glassy ground states

International Nuclear Information System (INIS)

Buettgen, N; Hemberger, J; Fritsch, V; Krimmel, A; Muecksch, M; Nidda, H-A Krug von; Lunkenheimer, P; Fichtl, R; Tsurkan, V; Loidl, A

2004-01-01

Measurements of magnetization M(T, H), heat capacity C(T), NMR lineshift K(T) and linewidth Δ(T), neutron scattering S(Q, ω, T) and broadband dielectric spectroscopy ε(ω, T) provide experimental evidence of the different orbital ground states in the cubic sulfur spinels under investigation. In all compounds, the tetrahedrally coordinated Jahn-Teller ions Fe 2+ are characterized by a degeneracy of the orbital degrees of freedom. Particularly, we found a long-range orbital ordering in polycrystalline (PC) FeCr 2 S 4 , and a glassy freezing of the orbital degrees of freedom in FeCr 2 S 4 (single crystals) (SCs). In contrast, FeSc 2 S 4 belongs to the rare class of spin-orbital liquids, where quantum fluctuations accompanying the glassy freezing of the orbitals suppress long-range magnetic order
Giant Optical Polarization Rotation Induced by Spin-Orbit Coupling in Polarons

Science.gov (United States)

Casals, Blai; Cichelero, Rafael; García Fernández, Pablo; Junquera, Javier; Pesquera, David; Campoy-Quiles, Mariano; Infante, Ingrid C.; Sánchez, Florencio; Fontcuberta, Josep; Herranz, Gervasi

2016-07-01

We have uncovered a giant gyrotropic magneto-optical response for doped ferromagnetic manganite La2 /3Ca1 /3MnO3 around the near room-temperature paramagnetic-to-ferromagnetic transition. At odds with current wisdom, where this response is usually assumed to be fundamentally fixed by the electronic band structure, we point to the presence of small polarons as the driving force for this unexpected phenomenon. We explain the observed properties by the intricate interplay of mobility, Jahn-Teller effect, and spin-orbit coupling of small polarons. As magnetic polarons are ubiquitously inherent to many strongly correlated systems, our results provide an original, general pathway towards the generation of magnetic-responsive gigantic gyrotropic responses that may open novel avenues for magnetoelectric coupling beyond the conventional modulation of magnetization.
An Exploratory Study of the Critical Factors Affecting the Acceptability of Automated Teller Machine (ATM) in Nigeria

OpenAIRE

Olusegun Folorunso; Oluwafunmilayo Ayobami Ateji; Gabriel Oludare Awe

2010-01-01

This paper uses the Technology Acceptance Model (TAM) as a basis for studying critical factors that affects the acceptability of Automated Teller Machine (ATM) in Nigeria. Questionnaire approach was used with the respondents predominantly between 20-29 years old. Factor analysis was used to test which of the factors are the main factors affecting the adoption of the technology in Nigeria. It was discovered that the major factors affecting people’s intention to accept ATM are the security issu...

Beta decay of {sup 97}Ag: evidence for the Gamow-Teller resonance near {sup 100}Sn

Energy Technology Data Exchange (ETDEWEB)

Hu Zhiqiang

1999-03-01

In two complementary measurements, a cube like array of 6 Euroball-Cluster germanium detectors and a total-absorption {gamma}-spectrometer were used to investigate the {beta} decay of {sup 97}Ag, a three proton-hole nucleus with respect to the {sup 100}Sn core. The half-life and Q{sub EC} value of the decay of the 9/2{sup +} ground-state of {sup 97}Ag were determined to be 25.9(4) s and 6.98(11) MeV respectively. A total of 603 {gamma} rays (578 new) was observed, and 151 levels (132 new) in {sup 97}Pd have been identified. An interesting {beta}-delayed {gamma} cascade was observed, which comprises 6 {gamma}-transitions with a de-excitation pattern involving an initial increase of the level spin. The Gamow-Teller (GT) {beta}-decay strength distributions from the two measurements reveal a large GT resonance around 4 MeV with a width of about 1.8 MeV. The hindrance factor for the total GT strength summed from the ground-state up to 6 MeV excitation energy in {sup 97}Pd, amounts to 4.3(6) with reference to a shell-model prediction. This factor is discussed in comparison with a core-polarization and a Monte-Carlo shell-model calculation. (orig.)
Gamow-Teller strength in deformed nuclei within self-consistent pnQRPA with the Gogny force

Directory of Open Access Journals (Sweden)

Martini M.

2014-03-01

Full Text Available In recent years fully consistent quasiparticle random-phase approximation (QRPA calculations using finite range Gogny force have been performed to study electromagnetic excitations of several axially-symmetric deformed nuclei up to the 238U. Here we present the extension of this approach to the charge-exchange nuclear excitations (pn-QRPA. In particular we focus on the Gamow-Teller (GT excitations. A comparison of the predicted GT strength distribution with existing experimental data is presented The role of nuclear deformation is shown. Special attention is paid to β-decay half-lives calculations for which experimental data exist.
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
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)
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.
Analysis of the workload of bank tellers of a Brazilian public institution.

Science.gov (United States)

Serikawa, Simoni S; Albieri, Ana Carolina S; Bonugli, Gustavo P; Greghi, Marina F

2012-01-01

During the last decades there have been many changes in the banking sector organization. It has been also observed the mutual growing of musculoskeletal and mental disorders. This study investigated the workload of bank tellers at a Brazilian public institution. It was performed the Ergonomic Work Analysis (EWA). Three employees participated in this study. During the analysis process, three research instruments were applied: Inventory of Work and Risk of Illness, Yoshitake Fatigue Questionnaire and Nordic Musculoskeletal Questionnaire, beyond the realization of footage recordings and the self-confrontation. The results indicated the existence of an excess of workload on the evaluated workstations, mainly in relation to mental order constraints, that overlaps the physical aspects. Thereby it was found that the employees tend to adopt strategies trying to reduce the impacts of the excess of workload, in order to regulate it.
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
Pseudo Jahn–Teller effect in distortion and restoration of planar configurations of tetra-heterocyclic 1,2-diazetes C{sub 2}N{sub 2}E{sub 4}, E = H, F, Cl, Br

Energy Technology Data Exchange (ETDEWEB)

Ilkhani, Ali R. [Institute for Theoretical Chemistry, University of Texas at Austin, Austin, TX 78712 (United States); Department of Chemistry, Yazd Branch, Islamic Azad University, Yazd (Iran, Islamic Republic of); Gorinchoy, Natalia N. [Institute of Chemistry, Academy of Sciences of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of); Bersuker, Isaac B., E-mail: bersuker@cm.utexas.edu [Institute for Theoretical Chemistry, University of Texas at Austin, Austin, TX 78712 (United States); Institute of Chemistry, Academy of Sciences of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of)

2015-10-16

Highlights: • The pseudo Jahn–Teller mechanism of puckering of tetracyclic 1,2-diazetes is revealed. • Vibronic constants are extracted from ab initio calculations versus PJTE equations. • Methods of restoring the planar configuration by external perturbations are suggested. - Abstract: The pseudo Jahn–Teller effect (PJTE) is employed to explain the origin of the puckered structures of tetra-heterocyclic 1,2-diazetes, C{sub 2}N{sub 2}E{sub 4}, E = H, F, Cl, Br, and to reveal the conditions of restoration of their planar configuration. The high-symmetry C{sub 2v} planar configuration of all these compounds is unstable with respect to puckering, a{sub 2}-type distortions produced by the PJT coupling between their ground {sup 1}A{sub 1} and excited {sup 1}A{sub 2} electronic states. The PJTE coupling constants are estimated by fitting ab initio calculated energy profiles to the formulas of the vibronic coupling problem (A{sub 1} + A{sub 2}) ⊗ a{sub 2}. The conditions for the restoration of the planar configurations of the C{sub 2}N{sub 2}E{sub 4} cycles were revealed: the PJTE can be quenched by removing the outer two electrons, e.g. by producing a “triple-decker sandwich” structure with two electron acceptors on both sides of the neutral cycle.
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)
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)
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.
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.
An Exploratory Study of the Critical Factors Affecting the Acceptability of Automated Teller Machine (ATM in Nigeria

Directory of Open Access Journals (Sweden)

Olusegun Folorunso

2010-01-01

Full Text Available This paper uses the Technology Acceptance Model (TAM as a basis for studying critical factors that affects the acceptability of Automated Teller Machine (ATM in Nigeria. Questionnaire approach was used with the respondents predominantly between 20-29 years old. Factor analysis was used to test which of the factors are the main factors affecting the adoption of the technology in Nigeria. It was discovered that the major factors affecting people’s intention to accept ATM are the security issues and poor internet connectivity.
(p,n) reaction at intermediate energy

International Nuclear Information System (INIS)

Goodman, C.D.

1979-01-01

The use of the (p,n) reaction in exploring effective interactions is reviewed. Some recent data on self-conjugate nuclei taken at the Indiana University Cyclotron Facility (IUCF) are presented, and the differences between low- and high-energy data are emphasized. Experimental problems and techniques used are briefly described. It is concluded that forward-angle (p,n) spectra at energies greater than 100 MeV are dominated by Gamow-Teller (GT) transitions, while Fermi transitions (IAS transitions) dominate near 45 MeV. Prominent GT transitions are expected from a pion-exchange interaction, and it is expected that OPEP is the dominant component of the interaction in the energy range of 100 to 200 MeV. 27 figures, 2 tables
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.
Controllability of pure states for the Poeschl-Teller potential with a dynamical group SU(2)

International Nuclear Information System (INIS)

Dong, S.-H.; Tang Yu; Sun, G.-H.; Lara-Rosano, F.; Lozada-Cassou, M.

2005-01-01

The controllability of a quantum system for the modified Poeschl-Teller (MPT) potential with the discrete bound states is investigated. The creation and annihilation operators of this potential are constructed directly from the normalized wave function with the factorization method and associated to an su(2) algebra. It is shown that this quantum system with the nondegenerate discrete bound states can, in principle, be strongly completely controllable, i.e., the system eigenstates can be guided by the external field to approach arbitrarily close to a target state, which could be theoretically realized by the actions of the creation and annihilation operators on the ground state
IMPACT OF NEW GAMOW–TELLER STRENGTHS ON EXPLOSIVE TYPE IA SUPERNOVA NUCLEOSYNTHESIS

Energy Technology Data Exchange (ETDEWEB)

Mori, Kanji; Famiano, Michael A.; Kajino, Toshitaka; Suzuki, Toshio [National Astronomical Observatory of Japan 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Hidaka, Jun [Mechanical Engineering Department, Meisei University, 2-1-1 Hodokubo, Hino, Tokyo 191-8506 (Japan); Honma, Michio [Center for Mathematical Sciences, University of Aizu, Aizu-Wakamatsu, Fukushima 965-8580 (Japan); Iwamoto, Koichi [Department of Physics, College of Science and Technology, Nihon University, Tokyo 101-8308 (Japan); Nomoto, Ken’ichi [Kavli Institute for the Physics and Mathematics of the Universe (WPI), The University of Tokyo, Kashiwa, Chiba 277-8583 (Japan); Otsuka, Takaharu, E-mail: kanji.mori@nao.ac.jp, E-mail: kajino@nao.ac.jp, E-mail: michael.famiano@wmich.edu, E-mail: suzuki@phys.chs.nihon-u.ac.jp, E-mail: jun.hidaka@meisei-u.ac.jp, E-mail: m-honma@u-aizu.ac.jp, E-mail: iwamoto@phys.cst.nihon-u.ac.jp, E-mail: nomoto@astron.s.u-tokyo.ac.jp, E-mail: otsuka@phys.s.u-tokyo.ac.jp [Department of Physics, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan)

2016-12-20

Recent experimental results have confirmed a possible reduction in the Gamow–Teller (GT{sub +}) strengths of pf-shell nuclei. These proton-rich nuclei are of relevance in the deflagration and explosive burning phases of SNe Ia. While prior GT strengths result in nucleosynthesis predictions with a lower-than-expected electron fraction, a reduction in the GT{sub +} strength can result in a slightly increased electron fraction compared to previous shell model predictions, though the enhancement is not as large as previous enhancements in going from rates computed by Fuller, Fowler, and Newman based on an independent particle model. A shell model parametrization has been developed that more closely matches experimental GT strengths. The resultant electron-capture rates are used in nucleosynthesis calculations for carbon deflagration and explosion phases of SNe Ia, and the final mass fractions are compared to those obtained using more commonly used rates.
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
Electromagnetic dipole and Gamow-Teller responses of even and odd {sup 90-94}{sub 40}Zr isotopes in QRPA calculations with the D1M Gogny force

Energy Technology Data Exchange (ETDEWEB)

Deloncle, I. [CSNSM, CNRS et Universite Paris-Sud, Orsay (France); CEA, DAM, DIF, Arpajon (France); Peru, S. [CEA, DAM, DIF, Arpajon (France); Martini, M. [ESNT, CEA-Saclay, DSM, Irfu, Service de Physique Nucleaire, Gif-sur-Yvette (France)

2017-08-15

In this paper we present theoretical results on the dipole response in the proton spin-saturated {sup 90-94}Zr isotopes. The electric and magnetic dipole excitations are obtained in Hartree-Fock-Bogolyubov plus Quasi-particle Random Phase Approximation (QRPA) calculations performed with the D1M Gogny force. A pnQRPA charge exchange code is used to study the Gamow-Teller response. The results on the pygmy, the giant dipole resonances as well as those on the magnetic nuclear spin-flip excitation and the Gamow-Teller transitions are compared with available experimental or theoretical information. In our approach, the proton pairing plays a role in the phonon excitations, in particular in the M1 nuclear spin-flip resonance. (orig.)
A crossover in anisotropic nanomechanochemistry of van der Waals crystals

International Nuclear Information System (INIS)

Shimamura, Kohei; Misawa, Masaaki; Li, Ying; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya; Shimojo, Fuyuki

2015-01-01

In nanoscale mechanochemistry, mechanical forces selectively break covalent bonds to essentially control chemical reactions. An archetype is anisotropic detonation of layered energetic molecular crystals bonded by van der Waals (vdW) interactions. Here, quantum molecular dynamics simulations reveal a crossover of anisotropic nanomechanochemistry of vdW crystal. Within 10 −13 s from the passage of shock front, lateral collision produces NO 2 via twisting and bending of nitro-groups and the resulting inverse Jahn-Teller effect, which is mediated by strong intra-layer hydrogen bonds. Subsequently, as we transition from heterogeneous to homogeneous mechanochemical regimes around 10 −12 s, shock normal to multilayers becomes more reactive, producing H 2 O assisted by inter-layer N-N bond formation. These time-resolved results provide much needed atomistic understanding of nanomechanochemistry that underlies a wider range of technologies

Charge driven metal-insulator transitions in LaMnO3|SrTiO3 (111) superlattices

KAUST Repository

Cossu, Fabrizio; Tahini, Hassan Ali; Singh, Nirpendra; Schwingenschlö gl, Udo

2017-01-01

Interfaces of perovskite oxides, due to the strong interplay between the lattice, charge and spin degrees of freedom, can host various phase transitions, which is particularly interesting if these transitions can be tuned by external fields. Recently, ferromagnetism was found together with a seemingly insulating state in superlattices of manganites and titanates. We therefore study the (111) oriented $(\\text{LaMnO}_3)_{6-x}\\vert(\\text{SrTiO}_3)_{6+x}~(x = -0.5, 0, 0.5)$ superlattices by means of ab initio calculations, predicting a ferromagnetic ground state due to double exchange in all cases. We shed light on the ferromagnetic coupling in the LaMnO3 region and at the interfaces. The insulating states of specific superlattices can be understood on the basis of Jahn-Teller modes and electron/hole doping.
Structural analysis of LaVO3 thin films under epitaxial strain

Directory of Open Access Journals (Sweden)

H. Meley

2018-04-01

Full Text Available Rare earth vanadate perovskites exhibit a phase diagram in which two different types of structural distortions coexist: the strongest, the rotation of the oxygen octahedra, comes from the small tolerance factor of the perovskite cell (t = 0.88 for LaVO3 and the smaller one comes from inter-site d-orbital interactions manifesting as a cooperative Jahn-Teller effect. Epitaxial strain acts on octahedral rotations and crystal field symmetry to alter this complex lattice-orbit coupling. In this study, LaVO3 thin film structures have been investigated by X-ray diffraction and scanning transmission electron microscopy. The analysis shows two different orientations of octahedral tilt patterns, as well as two distinct temperature behaviors, for compressive and tensile film strain states. Ab initio calculations capture the strain effect on the tilt pattern orientation in agreement with experimental data.
Direct and real time probe of photoinduced structure transition in colossal magnetoresistive material

Energy Technology Data Exchange (ETDEWEB)

Li, Junjie [Physics Department, Florida State University, Tallahassee, Florida 32310 (United States); National High Magnetic Field Laboratory, Tallahassee, Florida 32310 (United States); Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, New York 11973 (United States); Wang, Xuan [Institute of physics, Chinese Academy of Sciences, P.O. Box 603, Beijing 100190 (China); Zhou, Haidong [National High Magnetic Field Laboratory, Tallahassee, Florida 32310 (United States); Zhou, Jun; Cao, Jianming, E-mail: jcao@magnet.fsu.edu [Physics Department, Florida State University, Tallahassee, Florida 32310 (United States); National High Magnetic Field Laboratory, Tallahassee, Florida 32310 (United States); Cheng, J. G. [Texas Materials Institute, University of Texas at Austin, Austin, Texas 78712 (United States)

2016-07-25

We report a direct and real time measurement of photoinduced structure phase transition in single crystal La{sub 0.84}Sr{sub 0.16}MnO{sub 3} using femtosecond electron diffraction. The melting of orthorhombic lattice ordering under femtosecond optical excitation is found involving two distinct processes with different time scales, an initial fast melting of orthorhombic phase in about 4 ps and a subsequent slower transformation in 90 ps and longer timescales. The fast process is designated as the initial melting of orthorhombic phase induced by the Mn-O bond change that is most likely driven by the quenching of the dynamic Jahn-Teller distortion following the photo-excitation. The slow process is attributed to the growing of newly formed structure domain from the photo-excited sites to the neighboring non-excited orthorhombic sites.
Charge driven metal-insulator transitions in LaMnO3|SrTiO3 (111) superlattices

KAUST Repository

Cossu, Fabrizio

2017-08-01

Interfaces of perovskite oxides, due to the strong interplay between the lattice, charge and spin degrees of freedom, can host various phase transitions, which is particularly interesting if these transitions can be tuned by external fields. Recently, ferromagnetism was found together with a seemingly insulating state in superlattices of manganites and titanates. We therefore study the (111) oriented $(\\\\text{LaMnO}_3)_{6-x}\\\\vert(\\\\text{SrTiO}_3)_{6+x}~(x = -0.5, 0, 0.5)$ superlattices by means of ab initio calculations, predicting a ferromagnetic ground state due to double exchange in all cases. We shed light on the ferromagnetic coupling in the LaMnO3 region and at the interfaces. The insulating states of specific superlattices can be understood on the basis of Jahn-Teller modes and electron/hole doping.
A crossover in anisotropic nanomechanochemistry of van der Waals crystals

Energy Technology Data Exchange (ETDEWEB)

Shimamura, Kohei [Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan); Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Graduate School of System Informatics, Kobe University, Kobe 657-8501 (Japan); Misawa, Masaaki [Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan); Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Li, Ying [Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Shimojo, Fuyuki [Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan)

2015-12-07

In nanoscale mechanochemistry, mechanical forces selectively break covalent bonds to essentially control chemical reactions. An archetype is anisotropic detonation of layered energetic molecular crystals bonded by van der Waals (vdW) interactions. Here, quantum molecular dynamics simulations reveal a crossover of anisotropic nanomechanochemistry of vdW crystal. Within 10{sup −13} s from the passage of shock front, lateral collision produces NO{sub 2} via twisting and bending of nitro-groups and the resulting inverse Jahn-Teller effect, which is mediated by strong intra-layer hydrogen bonds. Subsequently, as we transition from heterogeneous to homogeneous mechanochemical regimes around 10{sup −12} s, shock normal to multilayers becomes more reactive, producing H{sub 2}O assisted by inter-layer N-N bond formation. These time-resolved results provide much needed atomistic understanding of nanomechanochemistry that underlies a wider range of technologies.
Ultrafast optically induced ferromagnetic/anti-ferromagnetic phase transition in GdTiO3 from first principles

Science.gov (United States)

Khalsa, Guru; Benedek, Nicole A.

2018-03-01

Epitaxial strain and chemical substitution have been the workhorses of functional materials design. These static techniques have shown immense success in controlling properties in complex oxides through the tuning of subtle structural distortions. Recently, an approach based on the excitation of an infrared active phonon with intense midinfrared light has created an opportunity for dynamical control of structure through special nonlinear coupling to Raman phonons. We use first-principles techniques to show that this approach can dynamically induce a magnetic phase transition from the ferromagnetic ground state to a hidden antiferromagnetic phase in the rare earth titanate GdTiO3 for realistic experimental parameters. We show that a combination of a Jahn-Teller distortion, Gd displacement, and infrared phonon motion dominate this phase transition with little effect from the octahedral rotations, contrary to conventional wisdom.
Enhanced activity and stability of copper oxide/γ-alumina catalyst in catalytic wet-air oxidation: Critical roles of cerium incorporation

Science.gov (United States)

Zhang, Yongli; Zhou, Yanbo; Peng, Chao; Shi, Junjun; Wang, Qingyu; He, Lingfeng; Shi, Liang

2018-04-01

By successive impregnation method, the Ce-modified Cu-O/γ-Al2O3 catalyst was prepared and characterized using nitrogen adsorption-desorption, scanning electron microscopy energy dispersive X-ray analysis (SEM-EDS), high-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Raman, and H2-Temperature programming reduction (H2-TPR). In catalytic wet-air oxidation (CWAO) process for the printing and dyeing wastewater (PDW), the effects of Ce addition on performance, mechanism and kinetics of the catalyst were investigated. The Ce addition increases the Brunauer-Emmett-Teller (BET) surface area and pore volume of the catalyst and makes the active components uniformly distributed on the catalyst surface. Formation of a stable CuAl2O4 solid solution by anchoring Cu onto the γ-Al2O3 crystal lattice leads to a significant decrease in metal leaching of the Ce-modified catalyst. The proportion of lattice oxygen in the catalyst substantially increases and the apparent activation energy of Cu-O/γ-Al2O3 catalyst decreases owing to Ce addition. Therefore, the catalytic activity and stability of the Ce-modified catalyst are considerably improved. The scavengers experiments identify the active species existed in the CWAO reaction system, with the order of reactivity: h+ > O2•- > H2O2 > HO•. This novel Cu-Ce-O/γ-Al2O3 catalyst has great potential in applications for treatment of concentrated organic wastewater due to its superior catalytic activity and improved stability.
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
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.
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
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.
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.
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...
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.
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.
The position–momentum uncertainty relations for a Pöschl–Teller type potential and its squeezed phenomena

Energy Technology Data Exchange (ETDEWEB)

Chen, Chang-Yuan, E-mail: yctcccy@163.net [School of Physics and Electronics, Yancheng Teachers University, Yancheng 224051 (China); You, Yuan; Lu, Fa-Lin [School of Physics and Electronics, Yancheng Teachers University, Yancheng 224051 (China); Dong, Shi-Hai, E-mail: dongsh2@yahoo.com [Departamento de Física, Escuela Superior de Física y Matemáticas, Instituto Politécnico Nacional, Edificio 9, Unidad Profesional Adolfo López Mateos, Mexico D.F. 07738 (Mexico)

2013-06-17

We present the position–momentum uncertainties for the Pöschl–Teller potential. We observe that the Δx decreases with the potential depth λ but increases with quantum number n. Interestingly, we find that the Δp first increases and then decreases with the n. The ΔxΔp first decreases and then increases with the λ, but almost becomes a constant (n+1/2)ℏ for a larger λ. Particularly, there exists a squeezed phenomenon in position x for the lower states. The squeezing in x compensated for by an increase in momentum p, such that ΔxΔp⩾ℏ/2 is still satisfied.
The position–momentum uncertainty relations for a Pöschl–Teller type potential and its squeezed phenomena

International Nuclear Information System (INIS)

Chen, Chang-Yuan; You, Yuan; Lu, Fa-Lin; Dong, Shi-Hai

2013-01-01

We present the position–momentum uncertainties for the Pöschl–Teller potential. We observe that the Δx decreases with the potential depth λ but increases with quantum number n. Interestingly, we find that the Δp first increases and then decreases with the n. The ΔxΔp first decreases and then increases with the λ, but almost becomes a constant (n+1/2)ℏ for a larger λ. Particularly, there exists a squeezed phenomenon in position x for the lower states. The squeezing in x compensated for by an increase in momentum p, such that ΔxΔp⩾ℏ/2 is still satisfied.
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
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
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.

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
Is talking to an automated teller machine natural and fun?

Science.gov (United States)

Chan, F Y; Khalid, H M

Usability and affective issues of using automatic speech recognition technology to interact with an automated teller machine (ATM) are investigated in two experiments. The first uncovered dialogue patterns of ATM users for the purpose of designing the user interface for a simulated speech ATM system. Applying the Wizard-of-Oz methodology, multiple mapping and word spotting techniques, the speech driven ATM accommodates bilingual users of Bahasa Melayu and English. The second experiment evaluates the usability of a hybrid speech ATM, comparing it with a simulated manual ATM. The aim is to investigate how natural and fun can talking to a speech ATM be for these first-time users. Subjects performed the withdrawal and balance enquiry tasks. The ANOVA was performed on the usability and affective data. The results showed significant differences between systems in the ability to complete the tasks as well as in transaction errors. Performance was measured on the time taken by subjects to complete the task and the number of speech recognition errors that occurred. On the basis of user emotions, it can be said that the hybrid speech system enabled pleasurable interaction. Despite the limitations of speech recognition technology, users are set to talk to the ATM when it becomes available for public use.
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.)
Molecular properties of metal difluorides and their interactions with CO2 and H2O molecules: a DFT investigation.

Science.gov (United States)

Arokiyanathan, Agnes Lincy; Lakshmipathi, Senthilkumar

2017-11-18

A computational study of metal difluorides (MF 2 ; M = Ca to Zn) and their interactions with carbon dioxide and water molecules was performed. The structural parameter values obtained and the results of AIM analysis and energy decomposition analysis indicated that the Ca-F bond is weaker and less ionic than the bonds in the transition metal difluorides. A deformation density plot revealed the stablizing influence of the Jahn-Teller effect in nonlinear MF 2 molecules (e.g., where M= Sc, Ti, Cr). An anaysis of the metal K-edge peaks of the difluorides showed that shifts in the edge energy were due to the combined effects of the ionicity, effective nuclear charge, and the spin state of the metal. The interactions of CO 2 with ScF 2 (Scc3 geometry) and TiF 2 (Tic2 geometry) caused CO 2 to shift from its usual linear geometry to a bent geometry (η 2 (C=O) binding mode), while it retained its linear geometry (η 1 (O) binding mode) when it interacted with the other metal difluorides. Energy decomposition analysis showed that, among the various geometries considered, the Scc3 and Tic2 geometries possessed the highest interaction energies and orbital interaction energies. Heavier transition metal difluorides showed stronger affinities for H 2 O, whereas the lighter transition metal (Sc and Ti) difluorides preferred CO 2 . Overall, the results of this study suggest that fluorides of lighter transition metals with partially filled d orbitals (e.g., Sc and Ti) could be used for CO 2 capture under moist conditions. Graphical abstract Interaction of metal difluorides with carbon dioxide and water.
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.
Magnetic phase transition in layered inorganic-organic hybrid (C12H25NH3)2CuCl4

Science.gov (United States)

Bochalya, Madhu; Kumar, Sunil; Kanaujia, Pawan K.; Prakash, G. Vijaya

2018-05-01

Inorganic-organic (IO) hybrids are material systems which have become an interesting theme of research for physicist and chemists recently due to the possibility of engineering specific magnetic, thermal or optoelectronic properties by playing around with the transition metal, halides and the organic components. Our experiments on (C12H25NH3)2CuCl4 show that the system exhibits a long range ferromagnetic order below ˜11 K. In such an inorganic-organic hybrid system, Jahn-Teller distortion of the copper ions results into a weak ferromagnetic order as compared to the antiferromagnetic spin-spin exchange in the pure inorganic CuCl2 compound. Moreover, this particular hybrid system also exhibits photoluminescence when excited below absorption maximum related to charge transfer peak though the effect is much weaker as compared to that in extensively studied other MX4-based (M = Sn, Pb; X = Cl, Br, I) counterparts.
Olivine-type cathodes. Achievements and problems

Science.gov (United States)

Yamada, Atsuo; Hosoya, Mamoru; Chung, Sai-Cheong; Kudo, Yoshihiro; Hinokuma, Koichiro; Liu, Kuang-Yu; Nishi, Yoshio

The recent progress at Sony in the design of practical olivine-type cathodes is reviewed briefly. First principle calculations revealed LiFePO 4 is a semiconductor with ca. 0.3 eV band gap and LiMnPO 4 is an insulator with ca. 2 eV band gap, which seems the major intrinsic obstacle to a smooth redox reaction at 4 V in the Mn-rich phase. Attention is also focused on the lattice frustration induced by the strong electron (Mn 3+: 3d 4-e gσ ∗)-lattice interaction (Jahn-Teller effect) in the charged state of Li(Mn yFe 1- y)PO 4 (0≤ y≤1). Dense nanocomposite formation with disordered conductive carbon as well as the choice of the appropriate synthetic precursors is highlighted as important engineering aspects, followed by some specific issues concerning tolerance to unusual conditions.
Vibronic interactions proceeding from combined analytical and numerical considerations: Covalent functionalization of graphene by benzene, distortions, electronic transitions

Energy Technology Data Exchange (ETDEWEB)

Krasnenko, V.; Boltrushko, V.; Hizhnyakov, V. [Institute of Physics, University of Tartu, W. Ostwaldi Str 1, 50411 Tartu (Estonia)

2016-04-07

Chemically bound states of benzene molecules with graphene are studied both analytically and numerically. The states are formed by switching off intrabonds of π-electrons in C{sub 6} rings to interbonds. A number of different undistorted and distorted structures are established both with aligned and with transversal mutual orientation of benzene and graphene. The vibronic interactions causing distortions of bound states are found, by using a combination of analytical and numerical considerations. This allows one to determine all electronic transitions of π-electrons without explicit numerical calculations of excited states, to find the conical intersections of potentials, and to show that the mechanism of distortions is the pseudo-Jahn-Teller effect. It is found that the aligned distorted benzene molecule placed between two graphene sheets makes a chemical bond with both of them, which may be used for fastening of graphene sheets together.
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.
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
Quantum information entropies of the eigenstates for the Pöschl—Teller-like potential

International Nuclear Information System (INIS)

Sun Guo-Hua; Aoki, M. Avila; Dong Shi-Hai

2013-01-01

Shannon entropy for lower position and momentum eigenstates of Pöschl—Teller-like potential is evaluated. Based on the entropy densities demonstrated graphically, we note that the wave through of the position information entropy density ρ(x) moves right when the potential parameter V 1 increases and its amplitude decreases. However, its wave through moves left with the increase in the potential parameter |V 2 |. Concerning the momentum information entropy density ρ(p), we observe that its amplitude increases with increasing potential parameter V 1 , but its amplitude decreases with increasing |V 2 |. The Bialynicki—Birula—Mycielski (BBM) inequality has also been tested for a number of states. Moreover, there exist eigenstates that exhibit squeezing in the momentum information entropy. Finally, we note that position information entropy increases with V 1 , but decreases with |V 2 |. However, the variation of momentum information entropy is contrary to that of the position information entropy. (general)
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.
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
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
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.
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.
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.
Enhanced photo-stability and photocatalytic activity of Ag3PO4 via modification with BiPO4 and polypyrrole

Science.gov (United States)

Cai, Li; Jiang, Hui; Wang, Luxi

2017-10-01

Ag3PO4 photocatalysts modified with BiPO4 and polypyrrole (PPy) were successfully synthesized via a combination of co-precipitation hydrothermal technique and oxidative polymerization method. Their morphologies, structures and optical and electronic properties were characterized by means of scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), transmission electron microscope (TEM), Brunauer-Emmett-Teller (BET) surface areas, X-ray diffraction (XRD), fourier transform infrared spectra (FT-IR), X-ray photo-electron spectroscopy (XPS), UV-vis diffuse reflection spectra (UV-vis DRS), photocurrent technique and electrochemical impedance spectra (EIS). The typical triphenylmethane dye (malachite green) was chosen as a target organic contaminants to estimate the photocatalytic activities and photo-stabilities of Ag3PO4-BiPO4-PPy heterostructures under visible light irradiation. The results indicated that the existence of BiPO4 and PPy not only showed great influences on the photocatalytic activity, but also significantly enhanced photo-stability of Ag3PO4 in repeated and long-term applications. The degradation conversion of Ag3PO4-BiPO4-PPy heterostructures (ABP-3) was 1.58 times of that of pure Ag3PO4. The photo-corrosion phenomenon of Ag3PO4 was effectively avoided. The photocatalytic activity of up to 87% in the Ag3PO4-BiPO4-PPy heterostructures (ABP-3) can be remained after five repeated cycles, while only about 33% of the degradation efficiency can be reserved in pure Ag3PO4. The possible mechanism of enhanced photo-stability and photocatalytic activity of Ag3PO4-BiPO4-PPy heterostructures was also discussed in this work.
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.)
Minimum dipole moment required to bind an electron: molecular theorists rediscover phenomenon mentioned in Fermi-Teller paper twenty years earlier

International Nuclear Information System (INIS)

Turner, J.E.

1977-01-01

Work leading to the discovery of the minimum dipole moment for electron binding, D/sub min/=0.639 ea 0 (atomic units), by several groups in 1967--1968 is described. It was subsequently learned that this number had been published in 1947 by Fermi and Teller, who did not, however, indicate how they derived it. The author has found a numerical solution in Fermi's notebooks from 1946--1950 at the University of Chicago Library. Fermi's work is described and presented here with relevant material from his notebooks

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.
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
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
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
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.
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.
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.
Probing electronic phase transitions with phonons via inelastic neutron scattering: superconductivity in borocarbides, charge and magnetic order in manganites

Energy Technology Data Exchange (ETDEWEB)

Weber, F.

2007-11-02

The present thesis concentrates on the signatures of strong electron-phonon coupling in phonon properties measured by inelastic neutron scattering. The inelastic neutron scattering experiments were performed on the triple-axis spectrometers 1T and DAS PUMA at the research reactors in Saclay (France) and Munich (Germany), respectively. The work is subdivided into two separate chapters: In the first part, we report measurements of the lattice dynamical properties, i.e. phonon frequency, linewidth and intensity, of the conventional, i.e. phonon-mediated, superconductor YNi{sub 2}B{sub 2}C of the rare-earth-borocarbide family. The detailed check of theoretical predictions for these properties, which were calculated in the theory group of our institute, was one major goal of this work. We measured phonons in the normal state, i.e. T>T{sub c}, for several high symmetry directions up to 70 meV. We were able to extract the full temperature dependence of the superconducting energy gap 2{delta}(T) from our phonon scans with such accuracy that even deviations from the weak coupling BCS behaviour could be clearly observed. By measuring phonons at different wave vectors we demonstrated that phonons are sensitive to the gap anisotropy under the precondition, that different phonons get their coupling strength from different parts of the Fermi surface. In the second part, we investigated the properties of Mn-O bond-stretching phonons in the bilayer manganite La{sub 2-2x}Sr{sub 1+2x}Mn{sub 2}O{sub 7}. At the doping level x=0.38 this compound has an ferromagnetic groundstate and exhibits the so-called colossal magnetoresistance effect in the vicinity of the Curie temperature T{sub C}. The atomic displacement patterns of the investigated phonons closely resemble possible Jahn-Teller distortions of the MnO{sub 6} octahedra, which are introduced in this compound by the Jahn-Teller active Mn{sup 3+} ions. We observed strong renormalizations of the phonon frequencies and clear peaks of
Probing electronic phase transitions with phonons via inelastic neutron scattering: superconductivity in borocarbides, charge and magnetic order in manganites

International Nuclear Information System (INIS)

Weber, F.

2007-01-01

The present thesis concentrates on the signatures of strong electron-phonon coupling in phonon properties measured by inelastic neutron scattering. The inelastic neutron scattering experiments were performed on the triple-axis spectrometers 1T and DAS PUMA at the research reactors in Saclay (France) and Munich (Germany), respectively. The work is subdivided into two separate chapters: In the first part, we report measurements of the lattice dynamical properties, i.e. phonon frequency, linewidth and intensity, of the conventional, i.e. phonon-mediated, superconductor YNi 2 B 2 C of the rare-earth-borocarbide family. The detailed check of theoretical predictions for these properties, which were calculated in the theory group of our institute, was one major goal of this work. We measured phonons in the normal state, i.e. T>T c , for several high symmetry directions up to 70 meV. We were able to extract the full temperature dependence of the superconducting energy gap 2Δ(T) from our phonon scans with such accuracy that even deviations from the weak coupling BCS behaviour could be clearly observed. By measuring phonons at different wave vectors we demonstrated that phonons are sensitive to the gap anisotropy under the precondition, that different phonons get their coupling strength from different parts of the Fermi surface. In the second part, we investigated the properties of Mn-O bond-stretching phonons in the bilayer manganite La 2-2x Sr 1+2x Mn 2 O 7 . At the doping level x=0.38 this compound has an ferromagnetic groundstate and exhibits the so-called colossal magnetoresistance effect in the vicinity of the Curie temperature T C . The atomic displacement patterns of the investigated phonons closely resemble possible Jahn-Teller distortions of the MnO 6 octahedra, which are introduced in this compound by the Jahn-Teller active Mn 3+ ions. We observed strong renormalizations of the phonon frequencies and clear peaks of the intrinsic phonon linewidth near the order
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
Quantum information entropies of the eigenstates for the P(o)schl-Teller-like potential

Institute of Scientific and Technical Information of China (English)

Guo-Hua Sun; M.Avila Aoki; Shi-Hai Dong

2013-01-01

Shannon entropy for lower position and momentum eigenstates of P(o)schl-Teller-like potential is evaluated.Based on the entropy densities demonstrated graphically,we note that the wave through of the position information entropy density ρ(x) moves right when the potential parameter V1 increases and its amplitude decreases.However,its wave through moves left with the increase in the potential parameter |V2|.Concerning the momentum information entropy density p(p),we observe that its amplitude increases with increasing potential parameter V1,but its amplitude decreases with increasing |V2|.The Bialynicki-Birula-Mycielski (BBM) inequality has also been tested for a number of states.Moreover,there exist eigenstates that exhibit squeezing in the momentum information entropy.Finally,we note that position information entropy increases with V1,but decreases with |V2|.However,the variation of momentum information entropy is contrary to that of the position information entropy.
Studies on strain relaxation of La{sub 0.5}Ba{sub 0.5}MnO{sub 3} film by normal and grazing incidence X-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Wang, Haiou [Hangzhou Dianzi University, Institute of Materials Physics, Hangzhou (China); Tan, Weishi [Hunan City University, College of Communication and Electronic Engineering, Yiyang (China); Nanjing University of Science and Technology, Key Laboratory of Soft Chemistry and Functional Materials, Department of Applied Physics, Ministry of Education, Nanjing (China); Liu, Hao [Suzhou Institute of Industrial Technology, Department of Electronic and Communication Engineering, Suzhou (China); Cao, Mengxiong; Wang, Xingyu; Ma, Chunlin [Nanjing University of Science and Technology, Key Laboratory of Soft Chemistry and Functional Materials, Department of Applied Physics, Ministry of Education, Nanjing (China); Jia, Quanjie [The Chinese Academy of Sciences, Institute of High Energy Physics, Beijing (China)

2017-03-15

Perovskite manganite La{sub 0.5}Ba{sub 0.5}MnO{sub 3} (LBMO) films were deposited on (001)-oriented single-crystal SrTiO{sub 3} (STO) substrates by pulsed laser deposition. High-resolution X-ray diffraction and grazing incidence X-ray diffraction techniques were applied to characterize the crystal structure and lattice strain of LBMO films. The in-plane and out-of-plane growth orientations of LBMO films with respect to substrate surface have been studied. The epitaxial orientation relationship LBMO (001) [100] //STO (001) [100] exists at the LBMO/STO interface. The lattice strain of LBMO film begins to relax with the thickness of LBMO film up to 12 nm. When the thickness is further increased up to 43 nm, the film is in fully strain-relaxed state. Jahn-Teller strain plays an important role in LBMO/STO system. The mechanism for strain relaxation is in accordance with that of tetragonal distortion. (orig.)
Transition metal ions in silicate melts. I. Manganese in sodium silicate melts

Energy Technology Data Exchange (ETDEWEB)

Nelson, C; White, W B

1980-01-01

Optical absorption spectra obtained on glasses quenched from sodium silicate melts show Mn/sup 3 +/ to be the dominant species for melts heated in air and Mn/sup 2 +/ to be the dominant species for melts heated at P/sub O/sub 2// = 10/sup -17/ bar. The absorption spectrum of Mn/sup 3 +/ consists of an intense band at 20,000 cm/sup -1/ with a 15,000 cm/sup -1/ satellite possibly arising from the Jahn-Teller effect. The independence of the spectrum from melt composition and the high band intensity is offered as evidence for a distinct Mn/sup 3 +/ complex in the melt. The spectrum of Mn/sup 2 +/ is weak and many expected bands are not observed. A two-band luminescence spectrum from Mn/sup 2 +/ has been tentatively interpreted as due to Mn/sup 2 +/ in interstitial sites in the network and Mn/sup 2 +/ coordiated by non-bridging oxygens.
Theoretical Studies of the Spin Hamiltonian Parameters and Local Distortions for Cu2+ in Alkaline Earth Lead Zinc Phosphate Glasses

Science.gov (United States)

Wang, Bo-Kun; Wu, Shao-Yi; Yuan, Zi-Yi; Liu, Zi-Xuan; Jiang, Shi-Xin; Liu, Zheng; Yao, Zi-Jian; Teng, Bao-Hua; Wu, Ming-He

2016-08-01

The spin Hamiltonian parameters and local structures are theoretically studied for Cu2+-doped alkaline earth lead zinc phosphate (RPPZ, R=Mg, Ca, Sr, and Ba) glasses based on the high-order perturbation calculations for a tetragonally elongated octahedral 3d9 cluster. The relative elongation ratios are found to be ρ≈3.2%, 4.4%, 4.6%, and 3.3% for R=Mg, Ca, Sr, and Ba, respectively, because of the Jahn-Teller effect. The whole decreasing crystal-field strength Dq and orbital reduction factor k from Mg to Sr are ascribed to the weakening electrostatic coulombic interactions and the increasing probability of productivity of nonbridge oxygen (and hence increasing Cu2+-O2- electron cloud admixtures) under PbO addition, respectively, with increasing alkali earth ionic radius. The anomalies (the largest Dq and the next highest k among the systems) for R=Ba are attributed to the cross linkage of this large cation in the network. The overall increasing order (Mg≤Bacontaining copper dopants.
Prediction of Intrinsic Ferromagnetic Ferroelectricity in a Transition-Metal Halide Monolayer

Science.gov (United States)

Huang, Chengxi; Du, Yongping; Wu, Haiping; Xiang, Hongjun; Deng, Kaiming; Kan, Erjun

2018-04-01

The realization of multiferroics in nanostructures, combined with a large electric dipole and ferromagnetic ordering, could lead to new applications, such as high-density multistate data storage. Although multiferroics have been broadly studied for decades, ferromagnetic ferroelectricity is rarely explored, especially in two-dimensional (2D) systems. Here we report the discovery of 2D ferromagnetic ferroelectricity in layered transition-metal halide systems. On the basis of first-principles calculations, we reveal that a charged CrBr3 monolayer exhibits in-plane multiferroicity, which is ensured by the combination of orbital and charge ordering as realized by the asymmetric Jahn-Teller distortions of octahedral Cr - Br6 units. As an example, we further show that (CrBr3)2Li is a ferromagnetic ferroelectric multiferroic. The explored phenomena and mechanism of multiferroics in this 2D system not only are useful for fundamental research in multiferroics but also enable a wide range of applications in nanodevices.
On metal-insulator transition in cubic fullerides

Science.gov (United States)

Iwahara, Naoya; Chibotaru, Liviu

The interplay between degenerate orbital and electron correlation is a key to characterize the electronic phases in, for example, transition metal compounds and alkali-doped fullerides. Besides, the degenerate orbital couples to spin and lattice degrees of freedom ,giving rise to exotic phenomena. Here, we develop the self-consistent Gutzwiller approach for the simultaneous treatment of the Jahn-Teller effect and electron correlation, and apply the methodology to reveal the nature of the ground electronic state of fullerides. For small Coulomb repulsion on site U, the fulleride is quasi degenerate correlated metal. With increase of U, we found the quantum phase transition from the metallic phase to JT split phase. In the latter, the Mott transition (MT) mainly develops in the half-filled subband, whereas the empty and the completely filled subbands are almost uninvolved. Therefore, we can qualify the metal-insulator transition in fullerides as an orbital selective MT induced by JT effect.
Polarization enhancement and ferroelectric switching enabled by interacting magnetic structures in DyMnO3 thin films

KAUST Repository

Lu, Chengliang

2013-12-02

The mutual controls of ferroelectricity and magnetism are stepping towards practical applications proposed for quite a few promising devices in which multiferroic thin films are involved. Although ferroelectricity stemming from specific spiral spin ordering has been reported in highly distorted bulk perovskite manganites, the existence of magnetically induced ferroelectricity in the corresponding thin films remains an unresolved issue, which unfortunately halts this step. In this work, we report magnetically induced electric polarization and its remarkable response to magnetic field (an enhancement of ?800% upon a field of 2 Tesla at 2 K) in DyMnO3 thin films grown on Nb-SrTiO3 substrates. Accompanying with the large polarization enhancement, the ferroelectric coercivity corresponding to the magnetic chirality switching field is significantly increased. A picture based on coupled multicomponent magnetic structures is proposed to understand these features. Moreover, different magnetic anisotropy related to strain-suppressed GdFeO 3-type distortion and Jahn-Teller effect is identified in the films.
Dynamically fluctuating electric dipole moments in fullerene-based magnets.

Science.gov (United States)

Kambe, Takashi; Oshima, Kokichi

2014-09-19

We report here the direct evidence of the existence of a permanent electric dipole moment in both crystal phases of a fullerene-based magnet--the ferromagnetic α-phase and the antiferromagnetic α'-phase of tetra-kis-(dimethylamino)-ethylene-C60 (TDAE-C60)--as determined by dielectric measurements. We propose that the permanent electric dipole originates from the pairing of a TDAE molecule with surrounding C60 molecules. The two polymorphs exhibit clear differences in their dielectric responses at room temperature and during the freezing process with dynamically fluctuating electric dipole moments, although no difference in their room-temperature structures has been previously observed. This result implies that two polymorphs have different local environment around the molecules. In particular, the ferromagnetism of the α-phase is founded on the homogeneous molecule displacement and orientational ordering. The formation of the different phases with respect to the different rotational states in the Jahn-Teller distorted C60s is also discussed.
Measurement of effective analyzing powers for the NTOF polarimeter at LAMPF and DLL(0 degree) for Gamow-Teller transitions in p-shell nuclei

International Nuclear Information System (INIS)

Mercer, D.J.

1993-01-01

Measurements of neutron polarization from (rvec p,rvec n) reactions can provide valuable clues toward understanding the isovector nucleon-nucleus interaction. A neutron time-of-flight polarimeter has been constructed at the Los Alamos Meson Physics Facility to perform such measurements, but before the polarimeter can be used, its effective analyzing powers must be determined. This is accomplished by using the 14 C(rvec p,rvec n) 14 N reaction at a bombarding energy of 494 MeV to produce a beam of neutrons with known polarization, illuminating the detector with these neutrons, and measuring the azimuthal asymmetries after scattering from a hydrogenous analyzer fluid within the detector. Secondary measurements are made using the 2 H(rvec p,rvec n) 2 p reaction with bombarding energies of 318 and 494 MeV to produce a polarized neutron beam. The results from (rvec np) analyzing reactions within the detector agree with values anticipated from free nucleon-nucleon analyzing powers, but the results from (rvec np) analyzing reactions display a more than 33% reduction from the anticipated values. Additionally, measurements are made of the polarization transfer coefficient D LL (0 degree) for rvec p,rvec n Gamow-Teller reactions on 2 H, 7 Li 12 C, and 14 C targets. For a purely central interaction, one would expect that D LL (0 degree) ∼ -1/3 in the plane wave limit, but a simple average of the Jπ = 0 + → 1 + results at a bombardment energy of 494 MeV gives D LL (0 degree) = -0.689 ± 0.044. Thus, the measurements indicate that the nucleon-nucleus interaction -- which is largely central at 200 MeV -- has strong tensor contributions at higher energy
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.

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)
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)
Uncertainties in constraining low-energy constants from {sup 3}H β decay

Energy Technology Data Exchange (ETDEWEB)

Klos, P.; Carbone, A.; Hebeler, K. [Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany); GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, ExtreMe Matter Institute EMMI, Darmstadt (Germany); Menendez, J. [University of Tokyo, Department of Physics, Tokyo (Japan); Schwenk, A. [Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany); GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, ExtreMe Matter Institute EMMI, Darmstadt (Germany); Max-Planck-Institut fuer Kernphysik, Heidelberg (Germany)

2017-08-15

We discuss the uncertainties in constraining low-energy constants of chiral effective field theory from {sup 3}H β decay. The half-life is very precisely known, so that the Gamow-Teller matrix element has been used to fit the coupling c{sub D} of the axial-vector current to a short-range two-nucleon pair. Because the same coupling also describes the leading one-pion-exchange three-nucleon force, this in principle provides a very constraining fit, uncorrelated with the {sup 3}H binding energy fit used to constrain another low-energy coupling in three-nucleon forces. However, so far such {sup 3}H half-life fits have only been performed at a fixed cutoff value. We show that the cutoff dependence due to the regulators in the axial-vector two-body current can significantly affect the Gamow-Teller matrix elements and consequently also the extracted values for the c{sub D} coupling constant. The degree of the cutoff dependence is correlated with the softness of the employed NN interaction. As a result, present three-nucleon forces based on a fit to {sup 3}H β decay underestimate the uncertainty in c{sub D}. We explore a range of c{sub D} values that is compatible within cutoff variation with the experimental {sup 3}H half-life and estimate the resulting uncertainties for many-body systems by performing calculations of symmetric nuclear matter. (orig.)
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)
Corrections to the free-nucleon values of the single-particle matrix elements of the M1 and Gamow-Teller operators, from a comparison of shell-model predictions with sd-shell data

International Nuclear Information System (INIS)

Brown, B.A.; Wildenthal, B.H.

1983-01-01

The magnetic dipole moments of states in mirror pairs of the sd-shell nuclei and the strengths of the Gamow-Teller beta decays which connect them are compared with predictions based on mixed-configuration shell-model wave functions. From this analysis we extract the average effective values of the single-particle matrix elements of the l, s, and [Y/sup( 2 )xs]/sup( 1 ) components of the M1 and Gamow-Teller operators acting on nucleons in the 0d/sub 5/2/, 1s/sub 1/2/, and 0d/sub 3/2/ orbits. These results are compared with the recent calculations by Towner and Khanna of the corrections to the free-nucleon values of these matrix elements which arise from the effects of isobar currents, mesonic-exchange currents, and mixing with configurations outside the sd shell
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
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.)
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.)
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.
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.
LOW POWER UPCONVERSION FOR SOLAR FUELS PHOTOCHEMISTRY

Energy Technology Data Exchange (ETDEWEB)

Castellano, Felix N. [Bowling Green State University

2013-08-05

Earth abundant copper(I) diimine complexes represent a renewable and economically feasible alternative to commonly used heavy metal containing chromophores. In the metal-to-ligand charge transfer (MLCT) excited state, copper(I) diimine complexes typically undergo a significant structural rearrangement, leading to molecules with large Stokes shifts and very short excited state lifetimes, thereby limiting their usefulness as sensitizers in bimolecular electron and triplet energy transfer reactions. Strategically placed bulky substituents on the coordinating phenanthroline ligands have proven useful in restricting the transiently produced excited state Jahn-Teller distortion, leading to longer-lived excited states. By combining bulky sec-butyl groups in the 2- and 9- positions with methyl groups in the 3-,4-, 7-, and 8- positions, a remarkably long-lived (2.8 μs in DCM) copper(I) bis-phenanthroline complex, [Cu(dsbtmp)2]+, has been synthesized and characterized. Unlike other copper(I) diimine complexes, [Cu(dsbtmp)2]+ also retains a μs lifetime in coordinating solvents such as acetonitrile and water as a result of the cooperative sterics inherent in the molecular design. Preliminary results on the use of this complex in hydrogen-forming homogeneous photocatalysis is presented. Photon upconversion based on sensitized triplet-triplet annihilation (TTA) represents a photochemical means to generate high-energy photons (or high-energy chemical products) from low-energy excitation, having potential applications in solar energy conversion and solar fuels producing devices. For the first time, synthetically facile and earth abundant Cu(I) MLCT sensitizers have been successfully incorporated into two distinct photochemical upconversion schemes, affording both red-to-green and orange-to-blue wavelength conversions. Preliminary results on aqueous-based photochemical upconversion as well as intramolecular Sn(IV) porphyrins containing axially coordinated aromatic hydrocarbon
A statistical calculation of the β- strength function

International Nuclear Information System (INIS)

Arvieu, R.; Haq, R.U.; Touchard, J.

1976-01-01

A microscopic calculation of the Gamow-Teller strength between the 0 + ground state of 208 Pb and the 1 + particle-hole states of 208 Bi assuming the particle-hole matrix elements as random numbers with some specified distribution, is described. Under certain conditions for the two-body matrix elements, a G.T. resonance occurs. The stability of this collective state along with the accompanying low energy β - -strength tail is studied for various samples of p-h matrix elements [fr
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
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.
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
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.
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.
Ab Initio Ligand Field Molecular Mechanics and the Nature of Metal-Ligand π-Bonding in Fe(II) 2,6-di(pyrazol-1-yl)pyridine Spin Crossover Complexes.

Science.gov (United States)

Deeth, Robert J; Halcrow, Malcolm A; Kershaw Cook, Laurence J; Raithby, Paul R

2018-04-06

A ligand field molecular mechanics (LFMM) force field has been constructed for the spin states of [Fe(bpp) 2 ] 2+ (bpp=2,6-di(pyrazol-1-yl)pyridine) and related complexes. A new charge scheme is employed which interpolates between partial charges for neutral bpp and protonated [H 3 bpp] 3+ to achieve a target metal charge. The LFMM angular overlap model (AOM) parameters are fitted to fully ab initio d orbital energies. However, several AOM parameter sets are possible. The ambiguity is resolved by calculating the Jahn-Teller distortion mode for high spin, which indicates that in [Fe(bpp) 2 ] 2+ pyridine is a π-acceptor and pyrazole a weak π-donor. The alternative fit, assumed previously, where both ligands act as π-donors leads to an inconsistent distortion. LFMM optimisations in the presence of [BF 4 ] - or [PF 6 ] - anions are in good agreement with experiment and the model also correctly predicts the spin state energetics for 3-pyrazolyl substituents where the interactions are mainly steric. However, for 4-pyridyl or 4-pyrazolyl substituents, LFMM only treats the electrostatic contribution which, for the pyridyl substituents, generates a fair correlation with the spin crossover transition temperatures, T 1/2 , but in the reverse sense to the dominant electronic effect. Thus, LFMM generates its smallest spin state energy difference for the substituent with the highest T 1/2 . One parameter set for all substituted bpp ligands is insufficient and further LFMM development will be required. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Hour-Glass Neural Network Based Daily Money Flow Estimation for Automatic Teller Machines

Science.gov (United States)

Karungaru, Stephen; Akashi, Takuya; Nakano, Miyoko; Fukumi, Minoru

Monetary transactions using Automated Teller Machines (ATMs) have become a normal part of our daily lives. At ATMs, one can withdraw, send or debit money and even update passbooks among many other possible functions. ATMs are turning the banking sector into a ubiquitous service. However, while the advantages for the ATM users (financial institution customers) are many, the financial institution side faces an uphill task in management and maintaining the cash flow in the ATMs. On one hand, too much money in a rarely used ATM is wasteful, while on the other, insufficient amounts would adversely affect the customers and may result in a lost business opportunity for the financial institution. Therefore, in this paper, we propose a daily cash flow estimation system using neural networks that enables better daily forecasting of the money required at the ATMs. The neural network used in this work is a five layered hour glass shaped structure that achieves fast learning, even for the time series data for which seasonality and trend feature extraction is difficult. Feature extraction is carried out using the Akamatsu Integral and Differential transforms. This work achieves an average estimation accuracy of 92.6%.
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

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)
Pollution by poverty: the need for nuclear energy

Energy Technology Data Exchange (ETDEWEB)

Teller, E

1977-06-01

In this speech, Dr. Teller specifically points out the safety record of nuclear reactors and the rising need of power the world over. He further states that ''the real shortage in energy can be overcome if we save energy, if we develop oil and gas and coal and solar energy and geothermal energy, and wave energy, and a number of other things that can be developed; and if we do not neglect nuclear energy, which due to efforts over many years, due to careful scientific investigations, has become the energy source that on a big scale is the most economic and the most clean and which will interfere least with the environment.'' Pointing to the fact that by the year 2000, the world will contain 7 billion persons to feed, additional energy will be needed to provide enough food for this population or face the poverty and starvation brought on by lack of energy. In discussing the proliferation aspects of nuclear energy, the author notes that if the United States does not go nuclear, underdeveloped nations will--and this will be difficult, hazardous, and will make nuclear weapons proliferation more probable. (MCW)
A classic case of Jahn–Teller effect theory revisited: Ab initio simulation of hyperfine coupling and pseudorotational tunneling in the 1"2E′ state of Na_3

International Nuclear Information System (INIS)

Hauser, Andreas W.; Pototschnig, Johann V.; Ernst, Wolfgang E.

2015-01-01

Highlights: • Multireference and Coupled Cluster methods are applied to Na_3. • The PES is characterized by an analytical function fitted to ab initio data. • An effective rovibrational Hamiltonian is set up, with all parameters derived ab initio. • The coupling of pseudorotational tunneling and hyperfine interactions is investigated. • The theoretical predictions are compared to microwave spectra. - Abstract: The predictive capabilities of current ab initio approaches are tested in a benchmark study on the well known case of the Na_3 ground state. This molecule is small enough to be treated with computationally demanding methods, but also shows an interesting interplay between Jahn–Teller-, spin-orbit-, rovibrational- and hyperfine-interactions. The necessary parameters for the effective Hamiltonian are derived from the potential energy surface of the 1"2E′ ground state and from spin density evaluations at selected geometries, without any fitting adjustments to experimental data. We compare our results to highly resolved microwave spectra, with the aim to improve previous assignment attempts, where some parameters had to be estimated from fits to measured spectra.
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)
Minimum dipole moment required to bind an electron--molecular theorists rediscover phenomenon mentioned in Fermi--Teller paper on another subject twenty years earlier

International Nuclear Information System (INIS)

Turner, J.E.

1976-07-01

Work leading to the discovery of the minimum dipole moment for electron binding, D/sub min/ = 0.639 ea 0 (atomic units), by several groups in 1967-68 is described. It was subsequently learned that this number had been published in 1947 by Fermi and Teller, who did not, however, indicate how they derived it. The author has found a numerical solution in Fermi's notebooks from 1946-50 at the University of Chicago Library. Fermi's work is described and presented here with relevant material from his notebooks
Microbial Community Patterns Associated with Automated Teller Machine Keypads in New York City.

Science.gov (United States)

Bik, Holly M; Maritz, Julia M; Luong, Albert; Shin, Hakdong; Dominguez-Bello, Maria Gloria; Carlton, Jane M

2016-01-01

In densely populated urban environments, the distribution of microbes and the drivers of microbial community assemblages are not well understood. In sprawling metropolitan habitats, the "urban microbiome" may represent a mix of human-associated and environmental taxa. Here we carried out a baseline study of automated teller machine (ATM) keypads in New York City (NYC). Our goal was to describe the biodiversity and biogeography of both prokaryotic and eukaryotic microbes in an urban setting while assessing the potential source of microbial assemblages on ATM keypads. Microbial swab samples were collected from three boroughs (Manhattan, Queens, and Brooklyn) during June and July 2014, followed by generation of Illumina MiSeq datasets for bacterial (16S rRNA) and eukaryotic (18S rRNA) marker genes. Downstream analysis was carried out in the QIIME pipeline, in conjunction with neighborhood metadata (ethnicity, population, age groups) from the NYC Open Data portal. Neither the 16S nor 18S rRNA datasets showed any clustering patterns related to geography or neighborhood demographics. Bacterial assemblages on ATM keypads were dominated by taxonomic groups known to be associated with human skin communities ( Actinobacteria , Bacteroides , Firmicutes , and Proteobacteria ), although SourceTracker analysis was unable to identify the source habitat for the majority of taxa. Eukaryotic assemblages were dominated by fungal taxa as well as by a low-diversity protist community containing both free-living and potentially pathogenic taxa ( Toxoplasma , Trichomonas ). Our results suggest that ATM keypads amalgamate microbial assemblages from different sources, including the human microbiome, eukaryotic food species, and potentially novel extremophilic taxa adapted to air or surfaces in the built environment. DNA obtained from ATM keypads may thus provide a record of both human behavior and environmental sources of microbes. IMPORTANCE Automated teller machine (ATM) keypads represent
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.
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.
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
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
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...
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
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.
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
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).
A low noise discrete velocity method for the Boltzmann equation with quantized rotational and vibrational energy

Science.gov (United States)

Clarke, Peter; Varghese, Philip; Goldstein, David

2018-01-01

A discrete velocity method is developed for gas mixtures of diatomic molecules with both rotational and vibrational energy states. A full quantized model is described, and rotation-translation and vibration-translation energy exchanges are simulated using a Larsen-Borgnakke exchange model. Elastic and inelastic molecular interactions are modeled during every simulated collision to help produce smooth internal energy distributions. The method is verified by comparing simulations of homogeneous relaxation by our discrete velocity method to numerical solutions of the Jeans and Landau-Teller equations, and to direct simulation Monte Carlo. We compute the structure of a 1D shock using this method, and determine how the rotational energy distribution varies with spatial location in the shock and with position in velocity space.
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
Isospin symmetry of Tz =±3/2→±1/2 Gamow-Teller transitions in A=41 nuclei

Science.gov (United States)

Fujita, Y.; Shimbara, Y.; Adachi, T.; Berg, G. P.; Brown, B. A.; Fujita, H.; Hatanaka, K.; Kamiya, J.; Nakanishi, K.; Sakemi, Y.; Sasaki, S.; Shimizu, Y.; Tameshige, Y.; Uchida, M.; Wakasa, T.; Yosoi, M.

2004-11-01

Under the assumption that isospin T is a good quantum number, isobaric analog states and various analogous transitions are expected in isobars with mass number A . The strengths of Tz =±3/2→±1/2 analogous Gamow-Teller (GT) transitions and analogous M1 transitions within the A=41 isobar quartet are compared in detail. The Tz =+3/2→+1/2 GT transitions from the Jπ = 3/2+ ground state of 41K leading to excited Jπ = 1/2+ , 3/2+ , and 5/2+ states in 41Ca were measured using the ( 3He ,t) charge-exchange reaction. With a high energy resolution of 35 keV , many fragmented states were observed, and the GT strength distribution was determined up to 10 MeV excitation energy ( Ex ) . The main part of the strength was concentrated in the Ex =4 6 MeV region. A shell-model calculation could reproduce the concentration, but not so well details of the strength distribution. The obtained distribution was further compared with two results of 41Ti β decay studying the analogous Tz =-3/2→-1/2 GT strengths. They reported contradicting distributions. One-to-one correspondences of analogous transitions and analog states were assigned up to Ex =6 MeV in the comparison with one of these 41Ti β -decay results. Combining the spectroscopic information of the analog states in 41Ca and 41Sc , the most probable Jπ values were deduced for each pair of analog states. It was found that 5/2+ states carry the main part of the observed GT strength, while much less GT strength was carried by 1/2+ and 3/2+ states. The gross features of the GT strength distributions for each J were similar for the isospin analogous Tz =±3/2→±1/2 transitions, but the details were somewhat different. From the difference of the distributions, isospin-asymmetry matrix elements of ≈8 keV were deduced. The Coulomb displacement energy, which is sensitive to the configuration of states, showed a sudden increase of about 50 keV at the excitation energy of 3.8 MeV . The strengths of several M1 transitions to the
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
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.

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
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
Raman scattering study of the structural phase transition in single crystal KDy(MoO4)2

Science.gov (United States)

Peschanskii, A. V.

2017-11-01

Raman scattering of light in single-crystal KDy(MoO4)2 is studied at frequencies of 3-1000 cm-1 for temperatures ranging from 2 to 300 K, including that of a structural phase transition of the cooperative Jahn-Teller type (TC ˜ 14.5 K). During the transition to the low-temperature phase, a series of additional phonon lines corresponding to the Ag, B1g, B2g, and B3g modes is observed which indicates a doubling of the unit cell during the phase transition. An analysis of the symmetry of the phonon modes shows that the low-temperature phase has a predominantly monoclinic symmetry with conservation of a second order axis along the crystallographic b direction, i.e., perpendicular to the layers. Excitations are discovered which correspond to low-energy electronic transitions between levels of the ground-state 6H15/2 multiplet of the Dy3+ ion, which is split in the crystal field with a C2 symmetry. In the vicinity of the first excited Kramers doublet of the Dy3+ ion in crystalline KDy(MoO4)2, the scattered spectrum contains four lines [16.5, 21.0, 24.9, and 29.1 cm-1 (2 K)] at low temperatures, instead of a single line [18.3 cm-1 (25 K)] above the phase transition temperature (14.5 K). This indicates the existence of four nonequivalent dysprosium ions in the low-temperature phase.
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.
Quantum-classical dynamics of scattering processes in adiabatic and diabatic representations

International Nuclear Information System (INIS)

Puzari, Panchanan; Sarkar, Biplab; Adhikari, Satrajit

2004-01-01

We demonstrate the workability of a TDDVR based [J. Chem. Phys. 118, 5302 (2003)], novel quantum-classical approach, for simulating scattering processes on a quasi-Jahn-Teller model [J. Chem. Phys. 105, 9141 (1996)] surface. The formulation introduces a set of DVR grid points defined by the Hermite part of the basis set in each dimension and allows the movement of grid points around the central trajectory. With enough trajectories (grid points), the method converges to the exact quantum formulation whereas with only one grid point, we recover the conventional molecular dynamics approach. The time-dependent Schroedinger equation and classical equations of motion are solved self-consistently and electronic transitions are allowed anywhere in the configuration space among any number of coupled states. Quantum-classical calculations are performed on diabatic surfaces (two and three) to reveal the effects of symmetry on inelastic and reactive state-to-state transition probabilities, along with calculations on an adiabatic surface with ordinary Born-Oppenheimer approximation. Excellent agreement between TDDVR and DVR results is obtained in both the representations
Structural and magnetic properties of Nd0.67Ba0.33MnO3 manganites with partial replacement of Fe and Cu at Mn-site

Science.gov (United States)

Sudakshina, B.; Arun, B.; Chandrasekhar, K. Devi; Yang, H. D.; Vasundhara, M.

2018-06-01

We have investigated the structural and magnetic properties of Nd0.67Ba0.33MnO3 manganite and partial replacement of Mn with Fe and Cu compounds followed by X-ray diffraction (XRD), X-ray absorption spectroscopy (XAS) and vibrating sample magnetometer (VSM). The Rietveld refinement of XRD indicates orthorhombic crystal structure with I-mma space group for all the compounds and thus obtained lattice parameters confirm the presence of co-operative Jahn-Teller effect. XRD and XAS spectra results suggests the existence of Fe3+ in Fe-substituted compound where as a mixed state of Cu2+ and Cu3+ ions in the Cu-substituted compound. The ferromagnetic (FM) to paramagnetic (PM) transition and magnetic moment is found to decrease upon the substitution of Fe and Cu atoms because of the suppression of double exchange interaction. The theoretically obtained and experimentally determined values of effective PM moment and saturation magnetic moment confirms the presence of inhomogeneous magnetic states containing FM and antiferromagnetic clusters in all the studied compounds.
High pressure effects on a trimetallic Mn(II/III) SMM.

Science.gov (United States)

Prescimone, Alessandro; Sanchez-Benitez, Javier; Kamenev, Konstantin V; Moggach, Stephen A; Lennie, Alistair R; Warren, John E; Murrie, Mark; Parsons, Simon; Brechin, Euan K

2009-09-28

A combined study of the high pressure crystallography and high pressure magnetism of the complex [Mn3(Hcht)2(bpy)4](ClO4)3.Et2O.2MeCN (1.Et2O.2MeCN) (H3cht is cis,cis-1,3,5-cyclohexanetriol) is presented in an attempt to observe and correlate pressure induced changes in its structural and physical properties. At 0.16 GPa the complex 1.Et2O.2MeCN loses all associated solvent in the crystal lattice, becoming 1. At higher pressures structural distortions occur changing the distances between the metal centres and the bridging oxygen atoms making the magnetic exchange between the manganese ions weaker. No significant variations are observed in the Jahn-Teller axis of the only Mn(III) present in the structure. High pressure dc chiMT plots display a gradual decrease in both the low temperature value and slope. Simulations show a decrease in J with increasing pressure although the ground state is preserved. Magnetisation data do not show any change in |D|.
Comparison of Magnetization Tunneling in the Giant-Spin and Multi-Spin Descriptions of Single-Molecule Magnets

Science.gov (United States)

Liu, Junjie; Del Barco, Enrique; Hill, Stephen

2010-03-01

We perform a mapping of the spectrum obtained for a triangular Mn3 single-molecule magnet (SMM) with idealized C3 symmetry via exact diagonalization of a multi-spin (MS) Hamiltonian onto that of a giant-spin (GS) model which assumes strong ferromagnetic coupling and a spin S = 6 ground state. Magnetic hysteresis measurements on this Mn3 SMM reveal clear evidence that the steps in magnetization due to magnetization tunneling obey the expected quantum mechanical selection rules [J. Henderson et al., Phys. Rev. Lett. 103, 017202 (2009)]. High-frequency EPR and magnetization data are first fit to the MS model. The tunnel splittings obtained via the two models are then compared in order to find a relationship between the sixth order transverse anisotropy term B6^6 in GS model and the exchange constant J coupling the Mn^III ions in the MS model. We also find that the fourth order transverse term B4^3 in the GS model is related to the orientation of JahnTeller axes of Mn^III ions, as well as J
Two-Channel Kondo Physics due to As Vacancies in the Layered Compound ZrAs1.58Se0.39

Science.gov (United States)

Kirchner, Stefan; Cichorek, T.; Bochenek, L.; Schmidt, M.; Niewa, R.; Czuluccki, A.; Auffermann, G.; Steglich, F.; Kniep, R.

We address the origin of the magnetic-field independent - | A | T 1 / 2 term observed in the low-temperature resistivity of several As-based metallic systems of the PbFCl structure type. For the layered compound ZrAs1.58Se0.39, we show that vacancies in the square nets of As give rise to the low-temperature transport anomaly over a wide temperature regime of almost two decades in temperature. This low-temperature behavior is in line with the non-magnetic version of the two-channel Kondo effect, whose origin we ascribe to a dynamic Jahn-Teller effect operating at the vacancy-carrying As layer with a C4 symmetry. The pair-breaking nature of the dynamical defects in the square nets of As explains the low superconducting transition temperature Tc 0 . 14 K of ZrAs1.58Se0.39, as compared to the free-of-vacancies homologue ZrP1.54S0.46 (Tc 3 . 7 K). Our findings should be relevant to a wide class of metals with disordered pnictogen layers.
Novel effect of spin dynamics with suppression of charge and orbital ordering in Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3} under the influence of ac electric field

Energy Technology Data Exchange (ETDEWEB)

Sarwar, T., E-mail: sarwartuba@gmail.com [EMMG, Physics Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan); Qamar, A., E-mail: afzaal.qamar@griffithuni.edu.au [Queensland Micro-Nanotechnology Centre, Griffith University, Nathan, QLD 4111 (Australia); Nadeem, M. [EMMG, Physics Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan)

2017-07-15

Highlights: • Electronic & magnetic behavior of Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3} is explored using impedance spectroscopy. • Under ac field, possible signature of suppression of robust CO/OO antiferromagnetism is studied. • We propose the existence of spin glass state at low temperature. • A novel tactic is used to estimate the existence of weak ferromagnetism at high temperature. - Abstract: Dynamics of spin ordering in the manganite Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3} have been investigated in this paper. It was observed that the complex mixed magnetic ordering in pellets is comprised of antiferromagnetic ordering at 160 K (T{sub N}) and complete charge ordering at 250 K (T{sub CO}). Under ac field, appearance of unstable ferromagnetic correlations is observed above T{sub CO}, which is badly frustrated due to strong spin disorder induced by Jahn Teller distortions. Impedance measurements reveal the spin glass like scenario, suppressing the strong antiferromagnetic and charge ordering states below T{sub N}.
Structure and reactivity of a mononuclear gold(II) complex

Science.gov (United States)

Preiß, Sebastian; Förster, Christoph; Otto, Sven; Bauer, Matthias; Müller, Patrick; Hinderberger, Dariush; Hashemi Haeri, Haleh; Carella, Luca; Heinze, Katja

2017-12-01

Mononuclear gold(II) complexes are very rare labile species. Transient gold(II) species have been suggested in homogeneous catalysis and in medical applications, but their geometric and electronic structures have remained essentially unexplored: even fundamental data, such as the ionic radius of gold(II), are unknown. Now, an unprecedentedly stable neutral gold(II) complex of a porphyrin derivative has been isolated, and its structural and spectroscopic features determined. The gold atom adopts a 2+2 coordination mode in between those of gold(III) (four-coordinate square planar) and gold(I) (two-coordinate linear), owing to a second-order Jahn-Teller distortion enabled by the relativistically lowered 6s orbital of gold. The reactivity of this gold(II) complex towards dioxygen, nitrosobenzene and acids is discussed. This study provides insight on the ionic radius of gold(II), and allows it to be placed within the homologous series of nd9 Cu/Ag/Au divalent ions and the 5d8/9/10 Pt/Au/Hg 'relativistic' triad in the periodic table.
Self-consistent EXAFS PDF Projection Method by Matched Correction of Fourier Filter Signal Distortion

International Nuclear Information System (INIS)

Lee, Jay Min; Yang, Dong-Seok

2007-01-01

Inverse problem solving computation was performed for solving PDF (pair distribution function) from simulated data EXAFS based on data FEFF. For a realistic comparison with experimental data, we chose a model of the first sub-shell Mn-0 pair showing the Jahn Teller distortion in crystalline LaMnO3. To restore the Fourier filtering signal distortion, involved in the first sub-shell information isolated from higher shell contents, relevant distortion matching function was computed initially from the proximity model, and iteratively from the prior-guess during consecutive regularization computation. Adaptive computation of EXAFS background correction is an issue of algorithm development, but our preliminary test was performed under the simulated background correction perfectly excluding the higher shell interference. In our numerical result, efficient convergence of iterative solution indicates a self-consistent tendency that a true PDF solution is convinced as a counterpart of genuine chi-data, provided that a background correction function is iteratively solved using an extended algorithm of MEPP (Matched EXAFS PDF Projection) under development
Lattice strain accompanying the colossal magnetoresistance effect in EuB6.

Science.gov (United States)

Manna, Rudra Sekhar; Das, Pintu; de Souza, Mariano; Schnelle, Frank; Lang, Michael; Müller, Jens; von Molnár, Stephan; Fisk, Zachary

2014-08-08

The coupling of magnetic and electronic degrees of freedom to the crystal lattice in the ferromagnetic semimetal EuB(6), which exhibits a complex ferromagnetic order and a colossal magnetoresistance effect, is studied by high-resolution thermal expansion and magnetostriction experiments. EuB(6) may be viewed as a model system, where pure magnetism-tuned transport and the response of the crystal lattice can be studied in a comparatively simple environment, i.e., not influenced by strong crystal-electric field effects and Jahn-Teller distortions. We find a very large lattice response, quantified by (i) the magnetic Grüneisen parameter, (ii) the spontaneous strain when entering the ferromagnetic region, and (iii) the magnetostriction in the paramagnetic temperature regime. Our analysis reveals that a significant part of the lattice effects originates in the magnetically driven delocalization of charge carriers, consistent with the scenario of percolating magnetic polarons. A strong effect of the formation and dynamics of local magnetic clusters on the lattice parameters is suggested to be a general feature of colossal magnetoresistance materials.
Superconductivity, Mott-Hubbard states, and molecular orbital order in intercalated fullerides

CERN Document Server

Iwasa, Y

2003-01-01

This article reviews the current status of chemically doped fullerene superconductors and related compounds, with particular focus on Mott-Hubbard states and the role of molecular orbital degeneracy. Alkaline-earth metal fullerides produce superconductors of several kinds, all of which have states with higher valence than (C sub 6 sub 0) sup 6 sup - , where the second lowest unoccupied molecular orbital (the LUMO + 1 state) is filled. Alkali-metal-doped fullerides, on the other hand, afford superconductors only at the stoichiometry A sub 3 C sub 6 sub 0 (A denotes alkali metal) and in basically fcc structures. The metallicity and superconductivity of A sub 3 C sub 6 sub 0 compounds are destroyed either by reduction of the crystal symmetry or by change in the valence of C sub 6 sub 0. This difference is attributed to the narrower bandwidth in the A sub 3 C sub 6 sub 0 system, causing electronic instability in Jahn-Teller insulators and Mott-Hubbard insulators. The latter metal-insulator transition is driven by...
Structural study of CaMn_1_−_xMo_xO_3 (0.08 ≤ x ≤ 0.12) system by neutron powder diffraction

International Nuclear Information System (INIS)

Supelano, G.I.; Parra Vargas, C.A.; Barón-González, A.J.; Sarmiento Santos, A.; Frontera, C.

2016-01-01

Neutron powder diffraction experiments and magnetic measurements in polycrystalline CaMn_1_−_xMo_xO_3 (x = 0.08, 0.10, 0.12) point towards a possible charge and orbital order in this system. The analysis of structural and magnetic data show that the samples present structural phase transformation from Pnma to P2_1/m space group and the system has a C-type antiferromagnetic configuration at low temperature. A detailed analysis of the bond distances signals a small Jahn-Teller distortion of only one (x = 0.08) or of the two Mn ions (x = 0.10, 0.12). We identify the partially occupied e_g orbitals and this explains the C-type magnetic structure. - Highlights: • CaMn_1_−_xMo_xO_3 (x = 0.08, 0.10, 0.12) is investigated by neutron powder diffraction. • Analysis of individual Mn-O distances demonstrates the apparition of orbital order. • By symmetry analysis, we find that the low temperature magnetic structure is C-type. • Magnetic interactions foreseen by the orbital order explain the magnetic structure.
Studies in small angle scattering techniques

International Nuclear Information System (INIS)

Moellenbach, K.

1980-03-01

Small angle scattering of neutrons, X-rays and γ-rays are found among the spectroscopic methods developed in the recent years. Although these techniques differ from each other in many respects, e.g. radiation sources and technical equipment needed, their power to resolve physical phenomena and areas of application can be discussed in a general scheme. Selected examples are given illustrating the use of specific technical methods. Jahn-Teller driven structural phase transitions in Rare Earth zircons were studied with neutron scattering as well as small angle γ-ray diffraction. The study of neutron scattering from formations of magnetic domains in the Ising ferromagnet LiTbF 4 is a second example. Both these examples represent more than experimental test cases since the theoretical interpretations of the data obtained are discussed as well. As a last example the use of small angle scattering methods for the study of molecular biological samples is discussed. In particular the experimental procedures used in connection with scattering from aqueous solutions of proteins and protein complexes are given. (Auth.)
Evidence of a splitting of the Mn-O distance and of a large lattice disorder in the charge-ordered phase of LiMn2O4 obtained by EXAFS

International Nuclear Information System (INIS)

Paolone, A.; Castellano, C.; Cantelli, R.; Rousse, G.; Masquelier, C.

2003-01-01

We measured the extended x-ray-absorption fine-structure (EXAFS) spectrum of LiMn 2 O 4 below room temperature in the charge-ordered phase and for comparison at room temperature in the cubic phase. By means of a standard fit procedure we verified that, as reported by neutron-scattering experiments, also at the local level there are two different Mn-O distances below room temperature, which correspond to the surroundings of well-defined Mn 3+ and Mn 4+ ions. This result is different from the ones obtained from previous EXAFS measurements and confirms the physical picture of the phase transition caused by the ordering of charges in contrast to a cooperative Jahn-Teller phenomenon. Moreover a large lattice disorder in the charge-ordered state, which determines a significant static contribution to the EXAFS Debye-Waller factor, has been found. This last result can be considered as the EXAFS spectral mark of charge-order transitions, even in those materials in which there is no clear evidence of the splitting of bond lengths
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
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)
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.

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
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
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).
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
Thermal properties of some cerium compounds, particularly CeB6

International Nuclear Information System (INIS)

Peysson, Y.

1986-09-01

Using measurements of specific heat between 0.3 to 250K in the absence of a magnetic field, and from 2 to 250K for magnetic fields between 0 and 8T, it is shown that the γ 8 quadruplet is the fundamental level of the Ce 3+ ion, the γ 8-7 separation energy being of the order of 500K. Detailed analysis suggests a lifting of degeneracy of the multiplet γ 8 in the paramagnetic phase, according to usual processes. Specific heat results obtained at very low temperatures reveal the importance of a significant gap in the spin wave energy spectra. Measurements under a strong magnetic field, around the two magnetic phase transitions of CeB6 show a spectacular reinforcement of the specific heat anomaly at a temperature of the order of T Q . Thermal conductivity of CEB6 is also studied in relation to the possible existence of a Jahn-Teller effect, likely to affect heat transfer by phonons. The problem of the different components of thermal transport prompts the analysis of the Weidemann-Franz law in the Kondo net, and also the study of the thermal conductivity of the compounds CeCu6, CeA12, the alloys Ce 0 . 7 5La 0 . 25 B 6 , Ce x La 1-x Cu 6 , and the fluctuating valence system SmB 6 . In all these bodies, an important contribution of phonons to electron transfer is shown. In the dense incoherent Kondo phase, it is not possible to envisage differences from the Weidemann-Franz law greater than those observed for highly diluted Kondo alloys [fr
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.
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.
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.
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
Stabilization of spectra provided by a gamma-ray spectrometer. Application to the construction of a stabilizer

International Nuclear Information System (INIS)

Detourne, G.

1967-06-01

This research is concerned with the stabilization of spectra provided by a gamma-ray spectrometer. It is required to hold the calibration straight line of the spectrometer in a position which is fixed initially to better than 5x10 -5 channel. A prototype numerical stabilizer has been constructed : the SPECTROSTAB; it is made up of two independent control loops; one of these makes the spectrometer gain depend on the derivatives of a reference peak at high energies; the other makes the origin of the energy scale depend on the derivatives of a second reference peak at low energies A theoretical study of the behaviour of a control loop shows that a direct action stabilizer gives the most accurate stabilization; the loss in resolving power on the theoretical peaks of the spectra attains about 1 % with a scintillation detector, and 10 % with a semi-conductor detector. Various tests show that the expected results are obtained and that the displacement of the spectral peaks produced by the derivatives are hidden by errors in the calculation of the peak abscissae. (author) [fr
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.
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
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...
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.
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.)
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.
Antibiogram of bacteria isolated from automated teller machines in Hamadan, West Iran

Directory of Open Access Journals (Sweden)

Mahmoudi, Hassan

2017-02-01

Full Text Available Aim: Bacteria are ubiquitous in the environment. In keeping with the continued expansion of urbanization and the growing population, an increasing number of people use automated banking, i.e. automated teller machines (ATMs. The aim of this study was to investigate the bacterial contamination and its antibiotic sensitivity on computer keyboards located at ATMs in Hamadan province, Iran. Method: Out of 360 ATMs at four locations in Hamadan, 96 were randomly selected for this study. The antibiotic susceptibility pattern of all isolates was determined by the agar disk diffusion method using gentamicin (10 µg, vancomycin (30 µg, trimethoprim/sulfamethoxazole (25 µg, amikacin (30 µg, tobramycin (10 µg, cephalotin (30 µg, norfloxacin (5 µg, and ceftizoxim (30 µg disks. Results: Melli and Saderat Banks had the most frequently contaminated ATMS, with 18 (27.7% and 12 (18.5%, respectively. The most frequently isolated bacteria were in 12 (18.5% ATMs, in in 11 (16.9%, in 6 (9.2%, spp. in 8 (12.3%, spp. in 2 (3.1%, in 6 (9.2%, in 3 (4.6%, and spp. in 5 (7.69% cases. All isolated bacteria were susceptible to gentamicin, cephalotin, tobramycin, amikacin, norfloxacin, and vancomycin. The resistance rate to trimethoprim/sulfamole was 50%. Conclusion: All tested ATM keyboards were contaminated with at least one species of bacteria. Based on these findings, it is recommendable to disinfect the hands after entering one’s own apartment, work area or a hospital, in order to hinder the spread of critical pathogens in the personal environment or in the hospital.
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
Inertial confinement fusion

International Nuclear Information System (INIS)

Nuckolls, J.H.; Wood, L.L.

1988-01-01

Edward Teller has been a strong proponent of harnessing nuclear explosions for peaceful purposes. There are two approaches: Plowshare, which utilizes macro- explosions, and inertial confinement fusion, which utilizes microexplosions. The development of practical fusion power plants is a principal goal of the inertial program. It is remarkable that Teller's original thermonuclear problem, how to make super high yield nuclear explosions, and the opposite problem, how to make ultra low yield nuclear explosions, may both be solved by Teller's radiation implosion scheme. This paper reports on the essential physics of these two thermonuclear domains, which are separated by nine orders of magnitude in yield, provided by Teller's similarity theorem and its exceptions. Higher density makes possible thermonuclear burn of smaller masses of fuel. The leverage is high: the scale of the explosion diminishes with the square of the increase in density. The extraordinary compressibility of matter, first noticed by Teller during the Los Alamos atomic bomb program, provides an almost incredible opportunity to harness fusion. The energy density of thermonuclear fuels isentropically compressed to super high-- -densities---even to ten thousand times solid density---is small compared to the energy density at thermonuclear ignition temperatures. In small masses of fuel imploded to these super high matter densities, the energy required to achieve ignition may be greatly reduced by exploiting thermonuclear propagation from a relatively small hot spot
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.

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